TRNG I HC S PHM TP.

H CH MINH
KHOA L

TS. O XUAN HOI

TAI LIEU LU HANH NOI BO

2003

LI NOI AU
Cuon sach nay c viet xuat phat t giao trnh vat ly thong ke a giang cho cac lp sinh vien nam th t
khoa Vat ly, trng HSP TP.HCM t mot vai nam qua. Tuy c soan theo tinh than cua chng trnh hien
hanh tai khoa Vat ly, trng HSP TP. HCM, nhng noi dung sach cung a c m rong them, nham cung
cap t lieu cho sinh vien.
Sach c trnh bay vi no lc ln ve mat s pham: Ngoai phan bai tap kem theo moi chng e cung co
cung nh e ao sau them nhng kien thc a c phan tch trong phan ly thuyet, mot so e tai ln hn c
soan di dang cac van e e sinh vien tap lam quen vi viec nghien cu tng e tai khoa hoc tron ven va
sinh vien thay c cac lnh vc ap dung cua vat ly thong ke, v du nh trong vat ly thien van. Phan nay cung
co the dung e gi y cho cac sinh vien lam seminar trong nam hoc, luan van tot nghiep, hoac co the nang cao
them e chuan b cho cac luan van Thac s vat ly. Nhan thc c rang viec nam vng t nhat la mot ngoai ng
e c t nang cao trong qua trnh ao tao la ieu nhat thiet phai co oi vi moi sinh vien nen trong phan phu
luc co kem theo mot danh muc cac t ng oi chieu Viet-Anh-Phap thng c s dung trong mon vat ly
thong ke. Hy vong rang phan nay se giup ch cho cac sinh vien khi s dung ngoai ng trong khi hoc tap.
Cung can nhan manh rang theo y kien cua mot so nha vat ly co uy tn tren the gii th phan nhiet ong lc
hoc phai c xem nh la he qua cua mon c hoc thong ke, c trnh bay nh mot mon vat ly ly thuyet thc
s, co ngha la phat xuat t cac tien e, cung tng t nh mon c hoc lng t chang han. Phan khac, ta cung
nen nh rang mon c hoc thong ke, cung vi c hoc lng t va ly thuyet tng oi, hien ang tao nen mot
trong cac tru cot cua vat ly hien ai. Cuon sach nay c xay dng tren tinh than o.
Mot cach tom tat th vat ly thong ke co the c hieu nh la mon hoc khao sat cac tnh chat v mo cua mot
he vat ly xuat phat t cac ac tnh vi mo cua nhng hat cau tao nen he. Nhng cac ac tnh vi mo nay ch co
the c mo ta chnh xac bi c hoc lng t. V vay, e hieu c c s cua vat ly thong ke, ieu t nhien la
phai nam vng cac tnh chat lng t cua cac hat vi mo. Tuy nhien, trong cuon sach nay, nhng kien thc ve
c hoc lng t c yeu cau mc toi thieu. Nhng ieu g can thiet se c nhac lai trong suot giao trnh.
Cung nen noi them rang rat ang tiec la mot so phan quan trong cua vat ly thong ke nh khao sat t tnh
cua vat chat, hien tng chuyen pha, hien tng van chuyen,... khong c e cap en trong cuon sach nay.
Tac gia hy vong rang trong lan tai ban sau se co ieu kien trnh bay cac van e tren.
Do kinh nghiem con t, thi gian lai rat han hep nen chac chan cuon sach nay con nhieu thieu sot, mong
cac ban oc vui long lng th va ch dan e sach c hoan thien trong lan tai ban sau.
Tac gia xin tran trong ngo li cam ta en thay Hoang Lan, nguyen Trng khoa, va thay Ly Vnh Be,
Trng khoa Vat ly, trng HSP TP. HCM a tao tat ca cac ieu kien thuan li e noi dung cua cuon sach nay
c truyen at en cac sinh vien trong vai nam va qua. ong thi, tac gia cung xin bay to long biet n en
PGS-TS Nguyen Khac Nhap va thay ang Quang Phuc a vui long e ra th gi qu bau oc ban thao sach va
gop y cho tac gia.
Ngoai ra, tac gia cung ghi lai ay li cam n en GV Nguyen Lam Duy va SV Nguyen Trong Khoa a no
lc anh may vi tnh ban thao vi long nhiet tnh va tan tuy nhat.
Cuoi cung, tac gia bay to long cam n en Phong An ban trng HSP TP.HCM a lam viec tch cc e
cuon sach nay mau chong c in va en tay ban oc.
TAC GIA

Chng I

MO TA THONG KE HE V MO
IA
IB
IC
ID

Nhng trang thai vi mo kha d

Phng phap thong ke cho he v mo
Tap hp thong ke. Nguyen ly ergodic
Entropi thong ke trong ly thuyet thong tin

Vat ly thong ke co oi tng nghien cu la nhng he v mo, la nhng he cha mot so rat ln nhng
hat (nh electron, photon, nguyen t, phan t,); nhng he nay co the ton tai di nhng trang thai
vat ly khac nhau : kh, long, ran, plasma va bc xa ien t. Ve phng dien o lng, kch thc va
nang lng cua mot he v mo c xac nh bi met (va cac boi so va c so cua met) va Joule.
Trong khi o, he vi mo la he co kch thc so sanh c vi kch thc cua nguyen t, phan t,
tc la c o lng bi ( = 10-10 m ), va nang lng cua he vi mo se c o bang n v eV (
1,6.10-19 Joule ).
Mot cach n gian nhat e thiet lap moi quan he gia mot he v mo va mot he vi mo la thong qua
hang so Avogadro NA6,023.1023 hat.mol-1. o ln cua hang so NA nay cho chung ta thay mc o
phc hp rat ln cua mot he v mo. Chnh v vay ma e khao sat cac he v mo, ta can phai dung
phng phap thong ke, e co c nhng ai lng v mo phat xuat t cac tnh chat cua cac he vi mo.
Trong chng th nhat nay, ta se gap nhng khai niem c ban nhat c s dung trong vat ly thong
ke. ieu au tien la s phan biet gia trang thai v mo va cac trang thai vi mo kha d at c
(accessible microstates) cua mot he v mo, ta se thay ro s khac biet gia hai khai niem nay qua th du
minh hoa cua mot he ch co hai hat. Vi th du nay, ta cung se a vao khai niem cac hat phan biet
c va cac hat khong phan biet c; hai khai niem c ban can phai nam vng trong viec khao sat
he nhieu hat. Sau o, phng phap thong ke se c gii thieu e a ra nh ngha cua ham phan bo
thong ke. Trong cac phan tiep theo, nguyen ly ergodic c trnh bay va khai niem entropi thong ke
c a ra da tren ly thuyet thong tin trong trng hp tong quat nhat.
I.A Nhng trang thai vi mo kha d
I.A.1 Trang thai v mo cua mot he vat ly
Trang thai cua mot he vat ly ma ta co the mo ta bi cac ai lng v mo, cam nhan trc tiep bi
con ngi c goi la trang thai v mo cua he. V du nh neu ta xet mot khoi kh th cac ai lng v
mo nay co the la the tch, nhiet o, cua khoi kh. Nh vay, mot trang thai v mo cua he c xac
nh bi cac ieu kien ma he phu thuoc. Chang han oi vi mot he khong tng tac vi moi trng
ben ngoai (he co lap), th nang lng va so hat tao thanh he luon co gia tr xac nh.
I.A.2 Trang thai vi mo lng t cua mot he vat ly
Theo quan iem cua c hoc lng t, trang thai vat ly cua mot hat tai mot thi iem t c bieu
dien bi mot vect trong khong gian trang thai, o la vect trang thai ket ( t ) .
S tien hoa theo thi gian cua mot trang thai vi mo c mo ta bi phng trnh Schrdinger
d
( t ) ,
ih
( t ) = H
(I.1)
dt
la toan t Hamilton, toan t lien ket vi nang lng, bang tong cua toan t ong nang
trong o H
:
T va toan t the nang tng tac U

 = T + U
.
(I.2)
H
r
Neu goi r la vect rieng tng ng vi v tr r cua hat, tch vo hng
r
r ( t ) = ( r , t )
(I.3)

cho ta ham song, ac trng ay u cho trang thai vat ly cua he.
oc lap oi vi thi gian t), nang lung El cua he trang thai l
Trong trng hp he bao toan ( H
c xac nh bi phng trnh tr rieng:
il = E l il
H

vi i = 1, 2, , gl cho biet s suy bien cua he.

Tong quat hn, khi oi tng nghien cu la mot he nhieu hat th ham song ( q1, q2, , qf ) theo
cac bien so la toa o qi se ac trng ay u cho he hat. ay, f la so lng t cua he.
Chu y rang khi ta noi en trang thai vi mo cua mot he v mo th ta ngam hieu rang o chnh la
trang thai vi mo lng t. Con neu ta nhan manh en trang thai vi mo co ien th co ngha la tnh chat
cua he c khao sat thong qua c hoc co ien Newton nh ta se thay. D nhien rang khi nay, ket qua
cua chung ta thu c ch la gan ung ma thoi.
Thong thng th mot he v mo luon c at di mot so ieu kien (v mo) nao o goi la han che
(constraint), chang han nh oi vi mot khoi kh co lap, khong tng tac vi moi trng ben ngoai th
nang lng va so hat cua he xem nh la nhng ieu kien do moi trng ben ngoai ap at cho he, va d
nhien la hai ai lng nay la khong oi. Khi o se ton tai mot so nhng trang thai vi mo khac nhau
cua he tng ng vi cung mot trang thai v mo nay. So trang thai vi mo nay thng c k hieu la
, ong vai tro trong yeu trong viec nghien cu vat ly thong ke.
V du: e de hieu van e, ta se xet mot he nhieu hat n gian gom ch hai hat phan biet c, tc
la co the anh dau c la hat A va hat B. Hai hat nay c phan bo tren ba mc nang lng cach
eu nhau la 0 = 0 , 1 = , va 2 = 2. Gia s nang lng toan phan cua he c an nh bang: E = 2.
Ta hay xet nhng trang thai vi mo kha d cua he tng ng vi trang thai v mo nay.
2 = 2

1 =

0 = 0

A
AB

(1)

(2)

(3)

H.I.1
Ta co the em so trang thai vi mo bang cach dung s o nh hnh tren: cac hat A va B c sap
xep tren cac mc nang lng sao cho tong nang lng cua hai hat bang 2. Vay, co tat ca la 3 trang
thai vi mo kha d: (1), (2), va (3); = 3. V hai hat A va B phan biet c nen hai trang thai vi mo (1)
va (2) phai c xem la khac nhau.
Neu ta gia s hai hat tao thanh he la khong phan biet c th ta se co s o sau:
2 = 2
1 =
0 = 0

(1)

(2)
H.I.2
Vay khi nay ta co = 2, nho hn so vi trng hp he cac hat phan biet c.

Bay gi ta gia s rang mc nang lng 1 suy bien bac 2 (tc la mc nang lng 1, se co hai
trang thai lng t khac nhau). Khi hai hat la phan biet c, ta co = 6 nh c bieu dien trong s
o sau:

2 = 2

1 =

0 = 0

B
A B

(1)

(2)

(3)

B A AB

(4)

AB

(5)

(6)

H.I.3
( ay, ta gia thiet rang hai hat co the cung mot trang thai lng t).
Con khi hai hat la khong phan biet c, ta se co =4.

2 = 2

1 =

0 = 0

(1)

(2)

(3)
H.I.4

(4)

I.A.3 Trang thai vi mo co ien

mot mc o gan ung nao o, trang thai vi mo cua mot he v mo co the c mo ta bi c hoc
co ien. Ta se xet trng hp n gian nhat la trng hp mot hat chuyen ong mot chieu va se m
rong cho trng hp tong quat hn.
a) Mot hat chuyen ong mot chieu
Vi khai niem bac t do la so toa o can thiet e xac nh v tr cua hat th trng hp n gian
nay la he co mot bac t do. Ta biet rang trong c hoc co ien, trang thai c hoc cua mot hat c mo
ta bi toa o suy rong q va ong lng suy rong p, la nghiem cua he phng trnh Hamilton:
( I.5a )
H

q& = p

p& = H

q
( I.5b)
vi H la ham Hamilton cua he.
Nh vay, ta co the noi rang trang thai c hoc (co ien) cua hat tai moi thi iem t c bieu dien
bang mot iem co toa o (q, p) goi la iem pha trong khong gian tao bi hai truc toa o Oq va Op goi
la khong gian pha , la khong gian hai chieu. V cac ai lng q va p bien thien theo thi gian nen
iem pha

(q, p) vach thanh mot ng trong khong gian pha; o la qu ao pha.

V du: Xet mot dao ong t ieu hoa tuyen tnh co ong nang T =

1
p2
va the nang U = m2 q 2 ,
2m
2

vi m va la khoi lng va tan so goc cua dao ong t. Ta co ham Hamilton:

H=T+U=

p2 1
+ m2 q 2 ,
2m 2

H p
= ,
p m
H
p& =
= m2 q ,
q
p&
q&& = = 2 q .
m
Ta co phng trnh vi phan theo q:
q&& + 2q = 0 .
q = q 0 sin(t + ) , vi q0, la hai hang so phu thuoc ieu kien au.
q& =

p = mq& = p 0 cos(t + ),

p 0 = mq 0 .

e tm qu ao pha, ta thiet lap he thc gia q va p oc lap vi t:

q 2 p2
+
= 1.
q 02 p 02
Vay qu ao pha la mot ellip co cac ban truc la q0 va p 0 = mq 0 .
qu ao pha p

p
= 2 h

p0

(q,p): iem pha

-q0

q0

q
q
H.I.5
H.I.6
e em so trang thai vi mo kha d cua hat khi trang thai c hoc cua hat c bieu dien trong
khong gian pha, ta chia eu cac truc Oq va Op thanh nhng lng nho q va p. Nh vay, khong gian
pha trong trng hp nay la mat phang c phan thanh nhng o ch nhat nho, moi o co dien tch
bang = qp . Mot trang thai c hoc cua hat tng ng vi mot iem pha nam trong o nay. Cach mo
ta cang chnh xac khi cang nho: trong c hoc co ien, c chon nho tuy y, tc la mot o se tr
thanh mot iem chnh la iem pha.
Chu y rang theo c hoc lng t, nguyen ly bat nh Heisenberg cho ta he thc: q.p 2h , vi
h
h=
(h la hang so Planck). Tc la khong ton tai mot trang thai c hoc vi cac ai lng q va p cung
2
c xac nh vi o chnh xac tuy y. Vay moi trang thai vi mo cua hat phai c bieu dien bi mot o
co dien tch bang 0 = qp = 2 h , ch khong phai bi mot iem pha nh trong c hoc co ien.
-p0

b) Trng hp he co f bac t do
Tc la khi nay, he c mo ta bi f toa o suy rong (q1, q2, , qf ) va f ong lng suy rong ( p1,
p2, , pf ).
V du:
- He gom mot hat chuyen ong trong khong gian ba chieu co v tr xac nh bi ba toa o ( q1 x ,
q2 y , q3 z ), vay he nay co ba bac t do: f = 3. Khong gian pha tng ng se la khong gian pha 6
chieu: ( q1, q2, q3, p1, p2, p3 ). Moi o ac trng cho mot trang thai vi mo co the tch (qp )3 .
- He co N hat: v moi hat co ba bac t do nen he co so bac t do la: f = 3N. He nay tng ng vi
khong gian pha 6N chieu.
Vay tap hp cac ai lng (q1, q2, , qf, p1, p2, , pf) tng ng vi mot iem pha trong khong
gian pha 2f chieu, goi la khong gian K, e phan biet vi khong gian pha co hai chieu.
Tng t tren, moi trang thai c hoc cua he co f bac t do c bieu dien bi mot o co the tch
thoa ieu kien: q1q 2 ...q f .p1p 2 ...p f = f vi nho tuy y theo c hoc co ien.
Nhng theo c hoc lng t, moi trang thai vi mo cua he tren c bieu dien bi mot o co the
tch thoa ieu kien: q1q 2 ...q f .p1p 2 ...p f ( 2 h) f tuan theo nguyen ly bat nh Heisenberg.
Vay, oi vi he N hat chang han, th moi trang thai tng ng vi mot o trong khong gian pha co the
tch (2 h )3N = h 3N .
I.A.4 Mat o trang thai

Xet trng hp nang lng E cua he v mo co pho lien tuc. Ta chia nang lng E ra tng phan
nho E sao cho E van cha mot so ln nhng trang thai vi mo kha d. Goi ( E) la so trang thai vi mo
kha d co nang lng trong khoang E va E + E . Khi E u nho ma ( E) co the c viet:
( E) = ( E).E ,
(I.6)
(vi E u nho, ta ch gi lai so hang au)
trong o ( E) oc lap vi o ln E , th ( E) c goi la mat o trang thai, v thc chat th theo cong
thc tren, ( E ) la so trang thai vi mo co c trong mot n v nang lng.
I.A.5 S phu thuoc cua so trang thai vi mo kha d theo nang lng
Xet trng hp mot khoi kh gom N phan t giong nhau cha trong mot bnh co the tch V. Nang
lng toan phan cua khoi kh la
E = K + U + E int ,
trong o, K la ong nang cua chuyen ong tnh tien cua cac phan t kh c tnh theo ong lng pi
cua khoi tam moi phan t; K ch phu thuoc cac ong lng nay:
r r
r
1 Nr 2
K = K ( p1 , p 2 ,..., p N ) =
pi .
2m i =1
r r
r
ai lng U = U( r1 , r2 ,..., rN ) bieu th the nang tng tac gia cac phan t, phu thuoc khoang cach
tng oi gia cac phan t, tc la ch phu thuoc vao v tr khoi tam cua cac phan t.
Cuoi cung neu cac phan t khong phai la n nguyen t, cac nguyen t cua moi phan t co the
quay hoac dao ong oi vi khoi tam, cac chuyen ong noi tai nay c ac trng bi cac toa o noi
tai Q1, Q2, , QM va ong lng noi tai P1, P2, , PM. Nh vay, Eint la nang lng cua cac chuyen
ong noi tai nay va ch phu thuoc vao Qi va Pi (neu la phan t n nguyen t th Eint = 0).
Trng hp ac biet n gian la U 0 : tng tac gia cac phan t rat nho so vi cac so hang
khac, co the bo qua. Khi o, ta co he kh ly tng. Trng hp nay xay ra khi mat o phan t N/V rat
nho lam cho khoang cach trung bnh gia cac phan t tr nen rat ln.

Gia s rang ta xet khoi kh ly tng gii han co ien. Khi nay, so trang thai vi mo kha d
( E) co nang lng trong khoang ( E , E + E ) se bang so iem pha trong khong gian pha gii han bi
E va E + E :
E + E
r
r r
r r r
r
d ri = dx i dy i dz i
o:
va
( E ) ... d r1d r2 ...d rN .dp1dp 2 ...dp N .dQ1dQ 2 ...dQ M .dP1dP2 ...dPM , trong
E

r
dp i = dp ix dp iy dp iz .
r
V d ri = V nen:
( E) V N 1 ( E) ,

(I.7a)

vi:
i ( E)

E + E

r r

... dp1dp 2 ...dp N .dQ1dQ 2 ...dQ M .dP1dP2 ...dPM .

oc lap oi vi V.

Hn na, trong trng hp kh n nguyen t: Eint = 0, va

1 N 3 2
E=
p i ,
2 m i =1 =1
gom 3N = f so hang toan phng.
Vay trong khong gian f-chieu cua ong lng, phng trnh E = const bieu dien mot mat cau ban
knh R ( E) = (2mE)1 / 2 .
So trang thai nh vay bang so iem pha nam gia hai mat cau co ban knh R(E) va R(E+E). Ma
so trang thai cha trong khoi cau ban knh R(E) c tnh:
( E) R f = (2mE) f / 2 ,
nen

( E) = ( E + E) ( E) =
dE .
E
Vay:
( E) E f 21 = E 3N 21 E 3N 2 .
Phoi hp ket qua tren vi (I.7a), ta co:

( E ) = AV N E 3N

(I.7b)

vi N co o ln khoang bang hang so Avogadro. Tc la ( E ) tang rat nhanh theo N.

Tong quat hn trng hp ac biet tren, ta co the chng minh rang:

.
(I.7c)
( E ) E f
Tc la so trang thai vi mo kha d la ham tang rat nhanh theo nang lng, o la tnh chat rat quan
trong cua c hoc thong ke cua he v mo.
Chu y rang trong cong thc (I.7c) tren, ieu ta can chu y la o ln ch khong phai gia tr chnh
xac cua ( E) , do o, ta khong quan tam en so mu cua E la f hay la mot so hang cung o ln vi f.

I.B Phng phap thong ke cho he v mo

I.B.1 Ham phan bo thong ke
Trc khi a vao nh ngha ham phan bo thong ke, ta nhac lai ngan gon vai khai niem c ban
trong ly thuyet xac suat:
Mot bien co c goi la ngau nhien khi ta khong co u thong tin e biet trc ket qua. Ket qua
cua mot bien co nh vay c goi la bien ngau nhien.
V du:
Ket qua cua viec nem mot con xuc sac, hoac:
Van toc cua mot phan t kh sau mot lan va cham vi mot phan t khac
la cac bien ngau nhien.
Goi tap hp cac bien co nay la {em; m = 1, 2, }, va goi Nm la so lan bien co em xuat hien sau N
phep th ong nhat (tc la cac phep th c thc hien trong cung cac ieu kien giong nhau).
Xac suat cua bien co em c nh ngha la:

Nm
, ,
N N

Pm = lim

Nm goi la so bien co thuan li.

V Nm , N 0 va Nm N, ta co ngay tnh chat cua Pm:
0 Pm 1.
Trong o, Pm = 1 cho ta bien co chac chan va Pm = 0 khi bien co la bat kha (khong the xay ra).
Trng hp bien ngau nhien co gia tr thc, lien tuc trong khoang (x1, x2) vi x la mot gia tr trong
khoang nay: x (x1,x2), va x la gia so tai x, ta goi N(x) la so lan bien co cho ta ket qua trong
khoang (x, x+x), xac suat e ieu nay xay ra la:
N ( x )
,
(I.8)
P( x ) = lim
N
N
Khi o, neu ton tai mot ham so thc (x) sao cho:
P( x )
( x ) = lim
,
(I.9)
x 0 x
th ham (x) c goi la mat o xac suat, hay ham phan bo thong ke tnh tai x.
P(x)
+
O

+
x1

x
+

x+x
+
+
x
x2
H.I.7

Ta co the viet bieu thc cua xac suat nguyen to la:

dP( x ) = ( x ).dx .
(I.10)
(Ta co the hieu rang ta a khai trien Taylor cua dP(x) theo dx va chi gi lai so hang au).
Trong trng hp ta co ba bien ngau nhien lien tuc, oc lap nhau ( x, y, z ), ta se co ham phan bo
thong ke la ham theo (x, y, z): (x, y, z). Xac suat nguyen to e x, y, z trong khoang (x, x+dx), (y,
y+dy), (z, z+dz) c viet:
dP( x , y, z ) = ( x , y, z ).dxdydz .
(I.11a)
Ta co the viet ngan gon hn:
r
r r
dP( r ) = ( r ).d r ,

(I.11b)

r r
r
r
r
trong o, r = x i + y j + zk , d r = dxdydz la vect toa o va the tch nguyen to trong khong gian ba
chieu qui ve he truc toa o Descartes.
Cong xac suat: Neu hai bien co e1 va e2 la hai bien co xung khac (khong the xay ra ong thi),
th xac suat e e1 hoac e2 xay ra la
P( e1 hoac e2 ) = P( e1 ) + P( e2 ),
(I.12)
vi P( e1 ) va P( e2 ) lan lt la xac suat e xay ra e1 va xac suat e xay ra e2.
T cong thc (I.12) tren, ta suy ra ieu kien chuan hoa:
(I.13)
Pm = 1 ,
m

va khi bien ngau nhien la lien tuc, xac suat e x trong khoang (a, b) hoac e (x, y, z)D c viet:
P (a x b) =

r
P( r D ) =

( x ). dx
a

( r ). d r .

(I.14a)
(I.14b)

Nhan xac suat: Khi hai bien co e1 va e2 oc lap nhau (tc la viec xay ra bien co nay khong anh
hng en viec xay ra bien co khac), xac xuat e e1 va e2 xay ra ong thi la:
P( e1 va e2 ) = P( e1 ).P( e2 ).
(I.15)
Khi hai bien lien tuc, oc lap x va y co ham phan bo thong ke lan lt la (x) va (y), xac suat
nguyen to e ta co ong thi x(x, x+dx) va y(y, y+dy) la
dP( x , y ) = dP1 ( x ).dP2 ( y) = 1 ( x )dx. 2 ( y)dy = 1 ( x ). 2 ( y ).dxdy, trong o dP1(x) va dP2(y) la xac suat
nguyen to e x(x, x+dx) va y(y, y+dy).
Vay, ta se nh ngha ham phan bo thong ke cua hai bien (x,y):
( x, y ) = 1 ( x ). 2 ( y ) ,
(I.16)
e co
dP( x, y) = ( x, y).dxdy .
(I.17)
Mot trng hp quan trong ma ta thng gap la phai tnh (x) khi a biet (x, y). Khi o, ta se s
dung tnh chat sau:
(I.18a)
dP1 (x) = 1 (x)dx = (x, y).dxdy
Dy

( x ) =

( x, y).dy

Dy

V du 1: Ham phan bo thong ke trong toa o cc (r, ).

V dP( x, y) = ( x, y).dxdy dP( r, ) = ( r, ).d .

(I.18b)

Can chu y rang dien tch nguyen to dxdy khi chuyen sang toa o cc la d th khong phai la tch
drd. Ta can phai tnh dien tch nay bang cach cho r bien thien mot lng dr va bien thien mot lng
d. Dien tch nguyen to trong toa o cc khi nay se la:
d = rdrd.
(Chu y rang ta a khong lay hai canh dr va (r+dr).d ma lay dr va rd). Vay:
d( r ) = ( r , ).rdrd
e tnh (r) khi biet (r, ), ta gia s (r, ) = C = const.
Theo (I.18a): dP1 ( r ) =

=0

( r , ).rdrd = Crdr d
0

dP1 ( r ) = ( r )dr = 2Crdr ( r ) = 2rC

Vay (r) c phan bo tuyen tnh theo r.

V du 2: Ham phan bo thong ke trong toa o cau (r, , ).

Trong toa o cau (r, , ), the tch nguyen to d c tnh bang cach cho r, , bien thien cac
lng nho dr, d, d. Khi o, theo hnh ve, ta co c:

dV = r 2 sin drdd
dP( r, , ) = ( r, , ).r 2 sin drdd .
e tnh (r) khi a biet (r, , ) chang han, ta gia s rang: (r, , ) = C = const. Khi o, tng t
nh cong thc (I.18a), ta co:
d( r ) =

dP(r, , ) =

2
(r, , ).r sin drdd =

2
2
Cr sin drdd dP(r ) = Cr dr

=0

sin d d

Tch so cua hai tch phan sau cho ta goc khoi 4 nen
dP( r ) = 4Cr 2 dr .
Ma dP( r ) = ( r )dr ( r ) = 4Cr 2 .
Chu y: e tnh the tch nguyen to khi oi he truc toa o, ta co the dung Jacobien:
x x
( x, y)
( x, y) r
.drd , vi I =
d =
=
( r , )
( r , ) y y
r

=0

Vi x=rcos , y=rsin I = r .
d=rdrd .
( x , y, z )
d =
.drdd , vi
( r , , )

x
r
( x, y, z ) y
J=
=
( r , , ) r
z
r

Vi x=r.sin.cos , y=r.sin.sin , z=rcos.

I=r2sin .

dV = r 2 sinindr .
I.B.2 Gia tr trung bnh cua mot bien ngau nhien
Neu P(ui) la xac suat e bien ngau nhien u co gia tr ui, gia tr trung bnh cua u c tnh:
P( u i ).u i
.
(I.19a)
u= i
P( u i )
i

Ta co ngay ket qua khi u la mot hang so = u = const (tr trung bnh cua mot hang so la bang
chnh hang so o).
Trng hp bien ngau nhien u bien thien lien tuc, ta co cong thc:
u.dP( u ) = u.( u ).du .
u=
(I.19b)
dP( u )
( u )du
Khi ta co mot ham f(u) theo bien ngau nhien u (v du nh ta muon tnh ong nang E cua mot phan
1
t kh theo bien ngau nhien la van toc v cua phan t kh chang han, ta se co ham: E = f(v) = mv2,
2
vi m la khoi lng cua phan t kh), ta co cong thc tnh gia tr trung bnh cua ham nay nh sau:
f ( u i ).P( u i )
f (u) = i
,
(I.20a)
P( u i )
i

va khi bien ngau nhien co gia tr lien tuc trong khoang (a,b):
b

f ( u).dP( u)

f (u) =

f ( u).( u)du
=

dP( u)

(I.20b)

( u )du
a

Ta cung co cong thc tng t khi phai tnh tr trung bnh cua ham f(u,v) theo hai bien ngau
nhien oc lap u va v:
P( u i , v j ).f ( u i , v j )

f ( u, v ) =

P( u i , v j )
i

(I.21a)

trong o: P( u i , v j ) = Pu ( u i ).Pv ( v j ) vi Pu(ui) va Pv(vj) lan lt la xac suat e cac bien u, v co gia tr ui
va vj .
Khi cac bien u, v nhan cac gia tr lien tuc: u(a,b); v(c,d), gia tr trung bnh cua ham f(u,v) c
tnh:
bd

bd

f ( u, v ).dP( u, v )
f ( u, v ) =

ac

f ( u, v ).( u, v ).dudv

bd

ac

dP( u, v )
ac

bd

(I.21b)

( u, v ).dudv
ac

Chu y rang tat ca cac cong thc (I.19a,b), (I.20a,b), va (I.21a,b) eu tr nen n gian hn neu ta co
cac ieu kien chuan hoa:
(I.22a)
P( u i ) = 1 ,
i
b

dP( u) = 1 ,

(I.22b)

P( u i , v j ) = 1 ,

(I.22c)

va
bd

dP( u, v ) = 1 ,

(I.22d)

ac

Khi co hai ham f(u) va g(u) cung bien thien theo bien ngau nhien u, ta co:
f ( u ) + g ( u ) = f ( u ) + g( u ) ,
(I.23a)
Chng minh
Gia s ta a co cac ieu kien chuan hoa c thoa. Khi nay, theo nh ngha:
f(u) + g(u) = P(ui )[ f(ui ) + g(ui )] = P(ui ).f(ui ) + P(ui ).g(ui )
i

= f ( u ) + g( u ) .
Tong quat, ta co:
cf ( u ) = c.f ( u ) .
Tng t, ta cung chng minh c rang
f ( u ).g( u ) = f ( u ).g( u ) .

(I.23b)
(I.23c)

I.B.3 Thang giang cua mot ai lng ngau nhien

e anh gia s sai lech trung bnh cua mot bien ngau nhien u oi vi gia tr trung bnh cua bien
nay, mot cach t nhien, ta se tnh ai lng u vi u = u u la o lech khoi gia tr trung bnh.
Nhng:
u = u u = u u ,
v u = u , nen
u = 0 ,
(I.24a)
v ly do la cac thang giang cua bien u quanh gia tr a bu tr lan nhau khi u ln hn hoac nho hn .
Nh vay, ta phai tnh gia tr trung bnh cua bnh phng o lech, tc la phng sai (u ) 2 :

(u ) 2 = ( u u ) 2 = ( u 2 2 uu u 2 )

Vay, ta co:

(u ) 2 = u 2 u 2 ,
o thang giang cua u c nh ngha bi

(I.24b)

= (u) 2 = u 2 u 2 ,

(I.24c)

Trong hai phan tiep theo, ta se khao sat hai phan bo thong ke quan trong, rat thng gap trong cac
van e cua vat ly thong ke.
I.B.4 Phan bo nh thc
Xet phep th gieo ong tien. Moi lan gieo co hai kha nang: mat so hoac mat hnh hien ra, c k
hieu lan lt la (+) va (), va xac suat lan lt la P+ va P_. ieu kien chuan hoa cho ta:
P+ + P = 1 .
Ta tnh xac suat P( N, n ) e co n lan bien co (+) xuat hien sau N lan th ( n N ):
Gia s sau N lan th, ta co mot chuoi bien co:
S1 : (1
+ )(
+ )...(
+ )(1
)(
)...(
)
42
43
42
43
Nn

Xac suat e co chuoi nay la: P(S1 ) = P+n PN n

Tng t, ta co the co mot chuoi Si nhng bien co vi bien co (+) xuat hien n lan va bien co ()
n

N n

xuat hien N-n lan, vi xac suat: P(S i ) = P+ P .

V hai chuoi bien co khac nhau la xung khac, P( N, n ) la tong cua tat ca cac chuoi co n lan bien co
(+) va N-n bien co (). o la cach sap xep khac nhau cua n bien co (+) trong N bien co, tc la bang:
N!
.
C nN =
n! ( N n )!
Vay
P( N, n ) = P(S i ) = C nN P(S i ) = C nN P+n PN n .
i

Cuoi cung, ta co

P( N , n ) =

N!
P+n PN n
n! ( N n)!

(I.25)

Phan bo nay c goi la phan bo nh thc.

Chu y rang ta co cong thc khai trien nh thc:
( a + b) N =

C nN a n b N n .

n =0

T o, ta co the kiem chng ieu kien chuan hoa cua P(N, n):
N

n =0

n =0

P( N, n) = C nN P+ n P N n = ( P+ + P ) N

=1 .

I.B.5 Phan bo Gauss (phan bo chuan)

Phan bo Gauss la phan bo lien tuc, co ham phan bo thong ke cho bi:
2
2
1
( x ) =
e ( x x 0 ) 2 .
(I.26)
2
2
Trong o, x0 la v tr cua phan bo; ng bieu dien cua (x) theo x oi xng qua ng thang x =
x0, va c goi la be rong cua phan bo. Ta thay ng bieu dien (x) co dang hnh chuong.
I.C Tap hp thong ke. Nguyen ly ergodic
I.C.1 S tien hoa theo thi gian cua mot he v mo
C hoc thong ke co muc ch la mo ta chnh xac nhat co the c nhng tnh chat v mo cua mot
he v mo, xuat phat t nhng ac tnh vi mo cua nhng hat cau tao nen he. Muon vay, tren nguyen
tac, ta phai tnh c bieu thc cua ham Hamilton cua he. Nhng ieu nay khong the c, v mc
o vi mo, ham Hamilton ch co the tnh gan ung; he v mo khong bao gi trang thai hoan toan
dng (la trang thai co nhng ai lng ac trng khong oi theo thi gian), ma lai tien hoa theo thi
gian.
Mat khac, ta cung khong the hoan toan co lap mot he e khao sat, v nhng tng tac cua he vi
moi trng ben ngoai tuy khong ang ke mc o v mo, nhng lai khong the tnh hoan toan chnh
xac mc o vi mo.
V nhng ly do tren, ta khong the theo doi chi tiet nhng tnh chat vi mo cua mot he v mo ma phai
dung phng phap thong ke e tnh nhng thang giang gay ra do s khong on nh ve mat vi mo cua
he.
I.C.2 Tr trung bnh theo thi gian
Gia s ta xet mot ai lng co gia tr f(t) bien thien theo thi gian t cua mot he trang thai can
bang, chang han nh so phan t kh n(t) trong mot the tch V nao o cua bnh cha. Ro rang rang n(t)
co gia tr thay oi theo thi gian t, v nhng phan t kh chuyen ong hon loan. ng bieu dien n(t)
c cho tren hnh ve:

Tr trung bnh theo thi gian cua f(t) c nh ngha:

1
f = lim

t0 +

f ( t )dt .

(I.27)

t0

Theo nh ngha nay th oi vi he v mo trang thai can bang, f oc lap vi t0, la thi iem t o
bat au phep o. Nhng oi vi he co nhng thay oi v mo, vi nhng khoang thi gian ma ta thc
hien phep o th f ch mo ta he trang thai can bang mi ma khong gi lai c dau tch cua s bien
thien. V du nh khi ta rut vach ngan trong bnh cha, so phan t trong the tch V tang nhanh va sau o
at gia tr on nh vi nhng thang giang nho. Tr trung bnh theo thi gian n cua so phan t kh trong
V ch cho ta biet trang thai can bang mi c thiet lap sau o.

I.C.3 Tr trung bnh tren tap hp

Thay v khao sat mot he v mo duy nhat theo thi gian nh tren, ta co the tao ra mot so ln
nhng he giong nhau, at di cung nhng ieu kien v mo. V du nh ta chuan b mot so rat nhieu
nhng bnh cha co cung kch thc, cho vao cung mot loai kh, at di cung nhng ieu kien nh ap
suat, nhiet o, Khi so he nay la rat ln, ta co tap hp thong ke (hay tap hp Gibbs).

Tai mot thi iem nhat nh nao o, ta xet tat ca cac he cua tap hp thong ke nay: cac he nay eu
trong cung trang thai v mo, nhng co the trong cac trang thai vi mo khac nhau. Vay, nhng he nay
ch giong nhau mc o v mo, nhng s tien hoa theo thi gian cua chung lai khac nhau mc o vi
mo.
Ta goi N la so he cua tap hp thong ke tren, Nl la so he cung trang thai vi mo (l). Ta muon o
gia tr cua ai lng f, la fl cua trang thai (l). Tr trung bnh tren tap hp cua f c nh ngha:
1
(I.28a)
f N = f l Pl ,
N (l)
Neu N rat ln, ta co:
f N f = f l Pl ,

(I.28b)

(l)

Nl
la xac suat e mot he trang thai (l), c goi la xac suat chiem ong trang thai
N N

vi Pl = lim
(l).

I.C.4 Nguyen ly ergodic

Theo tren, ta co hai cach tnh gia tr trung bnh cua mot ai lng nao o cua mot he v mo.
Nguyen ly sau ay se cho ta biet moi quan he gia hai phng phap tren:
Nguyen ly ergodic: Khi he trang thai can bang, gia tr trung bnh tren tap hp cua mot ai
lng vat ly cua mot he tai mot thi iem nao o trung vi gia tr trung bnh cua ai lng nay tnh
theo thi gian cua mot he duy nhat .
Noi khac i, ta co s tng ng gia tr trung bnh theo thi gian va tr trung bnh tren tap hp:
f = f .
Trong vat ly thong ke, thay v tnh gia tr trung bnh cua mot ai lung theo thi gian, ta se luon
luon s dung tr trung bnh tren tap hp, co ngha rang ta luon xet mot tap hp thong ke cua he ma ta
khao sat.
I.D Entropi thong ke
I.D.1 Khai niem
Trong lnh vc truyen thong, khi ta khong the biet trc mot cach chac chan ket qua cua mot bien
co nao o ma ta can phai dung ly thuyet xac suat, tc la khi o ta khong co ay u thong tin ve bien
co nay. e o lng mc o thieu thong tin ve cac bien co, ta a vao khai niem entropi thong ke.
Xet tap hp M bien co: {em , m = 1, 2, , M}, moi bien co co xac suat tng ng Pm (vay, 0 Pm
1 , va

Pm = 1 ). Entropi thong ke lien ket vi tap hp nay c nh ngha nh sau:

m =1

S( P1 , P2 ,..., PM ) = k Pm ln Pm

(k la hang so dng ) (I.29)

m =1

vi Pm lnPm = 0 neu Pm = 0.
(Chu y rang phan bo sung cua nh ngha Pm lnPm = 0 khi Pm=0 c a vao e phu hp vi ket
qua lim ( x ln x ) = 0 ).
x 0

nh ngha tren cua entropi thong ke la tong quat, c s dung trong ly thuyet thong tin. Khi s
dung khai niem nay trong vat ly thong ke, ta se co gia tr hang so k thch hp, nh ta se thay di ay.
I.D.2 Tnh chat

V Pm 1 , ta luon co S 0.
S oi xng vi moi phep hoan v cua bien Pi:
S( P1 , P2 ,..., Pi , Pi +1 ,..., PM ) = S( P1 , P2 ,..., Pi +1 , Pi ,..., PM )
S co gia tr cc tieu: Smin = 0 khi mot trong cac bien co la chac chan Pi = 1 (tc la khi o Pj = 0 ,
ji ).
Vay, khi ta co ay u thong tin ve mot tap cac bien co, entropi thong ke co gia tr cc tieu bang
khong.
S co gia tr cc ai Smax khi tat ca M bien co la ong xac suat:
1
S max = k ln M
(I.30)
P1 = P2 = ... = PM =
M
Nhng khi cac bien co la ong xac suat tc la ta hoan toan thieu thong tin ve cac bien co, vay,
entropi thong ke cc ai khi trang thai cua cac bien co la hoan toan hon on (hoan toan mat trat t).
Tom lai, ta co cac gii han cua entropi thong ke: 0 S k ln M .
I.D.3 Entropi thong ke trong c hoc thong ke
Trong c hoc thong ke, hang so k c chon la hang so Boltzmann, co gia tr bang
k = 1,38.10-23 J/K.
Khi nay ta a ong nhat khai niem entropi thong ke vi khai niem entropi nhiet ong lc a c
s dung t lau trong vat ly (Clausius, 1850). Vay, entropi thong ke c xem nh la o o cua s thieu
thong tin lien quan en nhng trang thai vi mo cua he v mo. Noi cach khac, entropi thong ke la o o
cua tnh ngau nhien (hay tnh hon loan) lien he en ac tnh vi mo cua mot he v mo.

BAI TAP
BT I.1 Xet ba electron co nang lng toan phan la E = 2, c phan bo tren ba mc nang lng cach eu
nhau: 0 = 0, 1 = , 2=2. Bac suy bien cua cac mc lan lt la: g0 = 3, g1 = 2, g2=2.
1/ Ve s o phan bo cac electron tren cac mc nang lng va em so trang thai vi mo kha d, biet rang
cac electron la khong phan biet c va la cac fermion (tc la hai electron khong the trong cung mot trang
thai lng t).
2/ Neu goi trang thai v mo la trang thai cua he co nang lng toan phan bang E = 2 va so hat moi
mc nang lng la nh nhau, ta co tat ca bao nhieu trang thai v mo ?
BT I.2 Cho he ba mc nang lng 1 = , 2 = 2, 3 = 3, co cac bac suy bien lan lt la g1 = 1, g2 = 2, g3 = 3.
Nhng hat khong phan biet c c phan bo tren ba mc nang lng nay, co nang lung toan phan
la E = 3, va co so hat khong xac nh. Goi trang thai v mo la trang thai c ac trng bi nang
lng E = 3, va so hat tren moi mc nang lng la nh nhau.
Hay ve s o phan bo cac hat tren cac mc nang lung va em so trang thai v mo cung nh so trang
thai vi mo kha d tng ng vi so trang thai v mo tren.
BT I.3 Hay ve qu ao pha trong moi trng hp sau:
1/ Chat iem khoi lng m chuyen ong theo quan tnh.
2/ Chat iem khoi lng m ri t do khong van toc au ni co gia toc trong trng g.
3/ Chat iem M khoi lng m mang ien tch e ( e > 0 ), chuyen ong trong ien trng cua mot ien
tch iem +e ng yen. Cho biet v tr va van toc luc au cua M la r0 va v0 = 0.
BT I.4

Xet vect v = OM co o ln khong oi, quay eu quanh goc O cua truc Ox theo chieu dng cua
vong tron lng giac.
1/ Tnh xac suat e goc (Ox , OM ) co gia tr trong khoang va +d.

2/ Tnh mat o xac suat (Vx) e hnh chieu cua V co gia tr la Vx tren truc Ox .
Ve ng bieu dien cua (Vx) theo Vx .
BT I.5 Hay tnh tr trung bnh n va phng sai (n) 2 trong phan bo nh thc.
BT I.6 Cho phan bo Gauss:

( x ) =

1
2

e ( x x 0 )

2 22

1/ Chng minh rang (x) a c chuan hoa.

2/ Tnh x va (x) 2 .
BT I.7 Xet phan bo nh thc: P( N, n ) =

N!
P+n .PN n
n! ( N n )!

trong trng hp N rat ln, n rat ln va c xem nh bien thien lien tuc trong vung gan n va u xa N (tc la
ham P(N,n) bien thien cham trong khoang gia n va n-1: P( N , n ) P( N , n 1) << P( N , n ) ).
1/ Xac nh gia tr cai nhien nhat nm cua n. Cho biet n! nne-n.
2/ Khai trien Taylor cua ham lnP(N,n) quanh gia tr nm. Suy ra rang trong nhng ieu kien a cho
tren, phan bo nh thc tng ng vi phan bo Gauss. Hay chuan hoa ham phan bo nay.
BT I.8 Phan bo Poisson c nh ngha bi xac suat e mot bien ngau nhien co nhng gia tr n (nguyen,
dng, hay bang khong) la

Pn =

a n a
e , vi a > 0.
n!

1/ Chng minh rang Pn a chuan hoa.

2/ Tnh n .
3/ Xet phan bo nh thc P( N , n ) = C nN P+n .PN n vi P+ << 1, N >> 1 va n << N.
Chng minh rang khi nay, ta se co P(N,n) la phan bo Poisson.
BT I.9 Xet ham phan bo co dang ham mu ( x ) = Ae ax vi A > 0 , x 0. (Ham phan bo nay ac trng cho
qua trnh phan ra phong xa, s bien thien cua so phan t kh theo o cao, ).
1/ Hay chuan hoa (x).
2/ Hay tnh tr trung bnh, phng sai va o thang giang.
BT I.10 Theo nh luat Maxwell, so phan t kh co van toc trong khoang [v, v+dv] c phan bo theo cong
thc: dN = N(v)dv, vi ( v ) = Av 2e E k / kT , trong o, Ek la ong nang cua moi phan t, T la nhiet o
cua khoi kh, va k la hang so Boltzmann. N la tong so phan t kh.
1/ Xac nh hang so A.
2/ Dung cac tch phan Poisson:

I 2 n = x 2 n e ax dx =
2

( 2n 1)!!
,
2 n +1
a 2 n +1

I 2 n +1 = x 2 n +1e ax dx =
2

n!
,
n +1
2 n +1
2a
a

e tnh van toc trung bnh v va van toc toan phng trung bnh v 2 .

v 2 vi van toc cai nhien nhat vm .

d( v )
= 0 ).
(vm c nh ngha bi:
dv v = v m
Hay so sanh v va

3/ Hay tnh v ,

v 2 va vm cua phan t monooxit cacbon CO 300 K va 1000 K.

BT I.11 Xet he vat ly la mot dao ong t ieu hoa tuyen tnh:
x(t) = x0cos(t+ ).
Tr trung bnh theo thi gian cua mot ai lng vat ly nao o f cua dao ong t nay c tnh:

1
f = f ( t )dt ,
0

vi la chu k cua dao ong t.

1/ Hay tnh x va x .
2/ Xet tap hp thong ke cua nhieu dao ong t ieu hoa tuyen tnh co cung tan so goc va co cung
nang lng toan phan. Gia s rang cac gia tr cua pha au eu ong xac suat trong khoang 0 va 2 (gia thiet
vi chnh tac)
Tr trung bnh tren tap hp cua mot ai lng f c tnh:

f=

1 2
f ( )d ,
2 0

Hay tnh x va x 2 . Suy ra rang he cac dao ong t nay la tap hp ergodic.
3/ Ta co the suy ra rang he gom nhieu dao ong t ieu hoa tuyen tnh la tap hp ergodic khong ?
BT I.12 Dung phng phap tha so Lagrange e chng minh rang entropi thong ke S co cc ai khi tat ca M
bien co ngau nhien la ong xac suat.

VAN E I.A
Bai toan bc i ngau nhien (random walks).
M rong cho bai toan khuech tan cua mot phan t kh
Mot ngi say ru i ve nha trong tnh trang khong tnh tao, thc hien cac bc i mot cach vo trat t.
o la bai toan bc i ngau nhien hai chieu. ay ta xet bai toan mot chieu, co rat nhieu ng dung trong vat
ly thong ke. Ta quy c:
Phan t ch co the di chuyen tren mot ng thang.
Moi bc i co khoang cach L.
Moi bc sang phai hay bc sang trai c thc hien vi xac suat bang nhau: p = q =

1
, va moi
2

bc la oc lap vi cac bc khac.

1) Viet bieu thc cua xac suat Pn e co np bc sang phai va nt bc sang trai sau mot so bc n. Tnh
gia tr trung bnh va phng sai 2 ng vi np va nt .
Tnh xac suat, tr trung bnh va phng sai ng vi quang ng i c :
x = (np nt) L = mL.
2) Chng minh rang oi vi n rat ln (n >> m), Pn se c tnh theo phan bo Gauss. S dung cong thc
Stirling : ln n! n ln n n va cong thc gan ung ln(1 ) .
3) Bang nhan xet la xac suat e tm thay phan t trong khoang (x, x + x) la P (n, x) =
P( n, m) , va khoang cach gia 2 o dch chuyen lien tiep la 2L (kiem nghiem lai vi cac gia tr n = 2, 3),
tat ca m
trong x

suy ra so gia tr cua m trong khoang x la

x
. T o suy ra ham phan bo (x, n). Chuan hoa ham nay.
2L

4) Bai toan tren co the ap dung cho ham phan bo (x, t) cua mot phan t kh theo quang ng i c
x vao thi iem t.
a) Viet ham phan bo nay theo he so khuech tan D =

L2
vi la thi gian gia hai va cham.
2

b) Goi Pn(i) la xac suat e phan t vao v tr i sau n bc. Kiem chng rang ta co :

Pn(i) = q Pn 1(i + 1) + p Pn 1 (i - 1)
1
1
= Pn 1 (i + 1) + Pn 1 (i 1)
2
2

c) Viet tai bieu thc tren theo cac bien so mi x = iL va

Dung khai trien Taylor cho cac bieu thc cua P(x,t) va
cho gii han continuum.

t = L.
P(x, t - ) e rut ra phng trnh khuech tan

VAN E I.B
Gii thieu phng phap Monte Carlo.
Ap dung e tnh dien tch hnh phang, khoi lng
va moment quan tnh mot hnh khoi

26099
71874
08774
37294
33912

65801
61692
29689
92028
37996

69870
80001
42245
56850
78967

84446
21430
51903
83380
57201

58248
02305
69179
05912
66916

21282
59741
96682
29830
73998

56938
34262
91819
37612
54289

54729
15157
60812
15593
07147

67757
27545
47631
73198
84313

1) Bang tren gom nhng so ngau nhien. Chon 35 so trong 7 cot au tien e thc hien phep tnh sau: Ve
ng tron ban knh n v trong th nhat cua mat phang toa o xOy. T con so au tien trong bang,
26099, trch ra 4 ch so au: 2609, va tao ra hai so t 26 va 09 theo qui tac r1 = 0.26 va r2 = 0.09, ta se co mot
iem trong mat phang xOy theo (y = 0.26; x = 0.09). Nh vay, ng vi 7 cot au trong bang tren, ta co n1 = 35
iem. em so iem m1 nam trong ng tron. Lap t so p1 =

m1
.
n1

Thc hien phep tnh tng t vi 8 cot va 9 cot au tien, ta co cac so p 2 =

40 va n3 = 45.
So sanh p1, p2 va p3 vi gia tr

m3
m2
va p 3 =
vi n2 =
n2
n3

= 0.785 . Tnh cac o sai so tng oi. Nhan xet.

4

Ky thuat tren, s dung cac so ngau nhien, la noi dung chnh cua phng phap Monte Carlo (t o co ten
goi nay).
2) Phan ln cac ngon ng lap trnh tren may tnh eu co mot ham cho trc, goi la random trong
Pascal, rnd trong Basic, cho ta nhng so chuan ngau nhien (pseudo random numbers nombres pseudo
aleatoires). Viet chng trnh tng ng vi thuat toan (algorithm) sau:
(Dung ham randomize e co mot day so chuan ngau nhien).
Bc 1: Bat au mot day so ngau nhien.
Bc 2: Lap lai m lan, n la so nhng so ngau nhien s dung.
Bc 3: Chon nhng so ngau nhien x va y sao cho 0 x 1.
Bc 4: Neu x2 + y2 1, tang so em: n n + 1.
Bc 5: Cham dt bc 2.
Bc 6: Cho ra 4 (n/m).
Bc 7: Ket thuc.
Thuat toan tren cho phep ta tnh c g ? Giai thch.
3) Ve hnh cau ban knh n v tam nam tai goc toa o, noi tiep trong mot khoi lap phng co mot nh
toa o (1, 1, 1). Gia s ca khoi cau va khoi lap phng eu co mat o khoi bang n v. Chia khoi lap phng
lam N phan bang nhau, vay moi phan co the tch

1
. Viet thuat toan e tnh the tch khoi cau.
N

4) Thay oi thuat toan tren e tnh moment quan tnh cua khoi cau oi vi truc z.

VAN E I.C
Mat o trang thai cua kh ly tng (KLT)
I/ Trng hp mot phan t kh
Xet mot hat phan t KLT c nhot trong mot hop ch nhat co kch thc Lx, Ly, va Lz. Khao sat lng
t cho ta ket qua la khi at nhng ieu kien gii han tuan hoan cho ham song ac trng cho hat, ham nay se co
dang song phang:

Kr =

r r

e i.K. r ,

V: the tch cua hop.

r
hK la ong lng trong trang thai dng Kr va nang lng tng ng la:
r2
K
h
,
E Kr =
2m
m la khoi lng cua hat va h la hang so Planck.
r
Trong trng hp nay, ong lng K se b lng t hoa:
r
2
2
2
ez , l x ,y,z Z . (*)
ey + l z
ex + l y
K = lx
Lz
Ly
Lx
Vay nang lng E Kr tao thanh pho gian oan.
Sau ay, ta gia s kch thc hop rat ln, khi o, khoang cach gia hai vach pho se rat nho va ta co
nang lng E la bien thien lien tuc. ieu nay cho phep ta tnh mat o trang thai cua hat.
r
1) Chng to rang o bien thien cua K lien he vi E qua bieu thc:

dK =

1 m 1 2
E
dE .
2 h2

2) em so trang thai cua hat tng ng vi khoang nang lng gia E va E+dE tc la em so vect K
r
ma o dai trong khoang K va K+dK; mui nhng vect K nay nam gii han gia hai mat cau ban knh K va
r
K+dK. Lp vo cau nay co the tch 4K2dK. Theo cong thc (*), cac vect K co nh nam cac nut cua mot
r
mang trong khong gian K , tng ng vi cac gia tr khac nhau cua l x , y, z . Chng minh rang, vi mot phep xap
x kha chnh xac, ta co so nut nay la

4 K 2 dK
8 3 / V
3)

( E ) =

T o, hay suy ra bieu thc cua mat o trang thai (E) ng vi nang lng E:

V 2
2 3

2 h

.m 3 2 E 1 2 bang cach nhan xet rang (E)dE, so trang thai tng ng trong khoang E va E+dE,

cung chnh la so nut ma ta tm thay cau 2).

II/ Trng hp mot he KLT

Xet he gom N hat t do, khong ke spin, giong het nhau nhng ban chat khac nhau (e khong tao thanh
he hat ong nhat_ va nh vay, ta khong can e y en tien e oi xng oi vi he nay). Gia s N hat nay la
oc lap va c nhot vao mot hop ch nhat nh trong phan I/
r
1/ Viet bieu thc tnh nang lng toan phan E cua he theo cac vect k i cua hat (i), vi m la khoi lng
cua moi hat.
r
2/ Ta nh ngha vect K trong khong gian 3N chieu:

r
K = {k 1x , k 1y , k 1z ,..., k Nx , k Ny , k Nz }

nay.

a/ Tnh the tch v3N cua mot khoi ch nhat nguyen to xac nh bi cac nh cua vect K trong khong gian
b/ Biet rang the tch cua mot khoi cau ban knh K trong khong gian 3N chieu c tnh:

V3 N =

3N 2
3N
. K 3 N , vi (
+ 1) la ham gamma, dung cong thc vi phan e tnh dien tch S3N(K)
3N
2
(
+ 1)
2

cua mat cau nay.

c/ Theo nh ngha, so trang thai N ( E )dE co nang lng trong khoang E va E+dE c tnh:

S N ( E)dE =

S 3N ( K )dK
, vi N ( E) la mat o trang thai.
v 3N

T o, hay chng minh:

N ( E) = C( N ).V N (

3 mN
C( N ) =

2 2 h 2

E 32N 1
, trong o C(N) la he so c tnh:
)
N

3N 2

1
3N
(
+ 1)
2
d/ Dung cong thc Stirling: ( x + 1) x x e x 2 x khi
.

x >> 1 e tnh lai C(N) khi N rat ln.

Chng II

PHAN BO VI CHNH TAC.

TIEN E C BAN CUA C HOC THONG KE
II.A
II.B
II.C
II.D

Trang thai can bang cua mot he v mo

Tien e c ban cua c hoc thong ke. Toan t Liouville
Cac tham so v mo
Qua trnh thuan nghch va qua trnh bat thuan nghch

II.A Trang thai can bang cua mot he v mo

II.A.1 Cac ai lng ac trng cua he v mo
e ac trng cho trang thai v mo cua mot he vat ly, ta thng dung cac ai lng nh: nang
lng, the tch, nhiet o, ap suat, so hat, mat o,
Neu nhng tham so nay c xac nh t nhng ieu kien ben ngoai, co gia tr chac chan, th c
goi la tham so ngoai. Chu y rang cac tham so ngoai nay bao gi cung c cho vi mot o bat nh
thc nghiem nao o, bi v ta khong the kiem tra c ay u nhng ieu kien ben ngoai.
Mot khi he v mo ang xet co nhng tham so ngoai c an nh roi, th co nhng ai lng vat ly
cua he se t do bien thien do nhng thang giang vi mo cua he. Cac ai lng nay c goi la bien so
noi. Vay nhng bien so noi cua mot he c ac trng bi cac phan bo thong ke.
V du: Khi ta an nh gia tr cua nang lng toan phan, the tch, va so hat cho mot he th cac ai
lng nay c bao toan (khong thay oi). o la cac tham so ngoai. Khi o neu ta xet mat o hat tai
mot thi iem nao o cua he th ai lng nay t do bien thien nen la bien so noi.
Neu bay gi ta lai an nh gia tr cua the tch, so hat, va nhiet o cho he th khi nay, nang lng
cua he co nhng thang giang, tc la chu s phan bo thong ke. Vay, the tch, so hat, va nhiet o la cac
tham so ngoai, trong khi nang lng la bien so noi.
Nh vay, ta thay rang mot ai lng vat ly (trong v du tren la nang lng) co the la tham so ngoai
hoac la bien so noi tuy trng hp cu the cua bai toan, ta an nh nhng ai lng nao co gia tr
khong oi (vi sai so) va e cho ai lng nao co s bien oi thong ke.
II.A.2 He co lap trang thai can bang
Mot he v mo c coi la he co lap khi he nay khong trao oi nang lng va cung khong trao oi
hat vi moi trng ben ngoai, ngha la nang lng toan phan cua he c bao toan va nhng trang
thai vi mo kha d cua he (co the la vo so) eu phai tng thch vi gia tr cua nang lng toan phan
nay.
Nh vay, oi vi mot he co lap, cac ai lng nh nang lng, so hat the tch, eu c bao
toan nen eu la cac tham so ngoai.
Mot he v mo trang thai can bang khi cac ai lng v mo ac trng cho he khong thay oi theo
thi gian. Neu luc au, mot he co lap khong trang thai can bang th sau mot thi gian nao o (goi la
thi gian hoi phuc), he cung se i ve trang thai can bang.
V du: Xet mot khoi kh luc au c nhot vao mot phan ben trai co the tch V1 cua mot hop. Phan
con lai cua hop co the tch V2 trong khong. Hai phan nay c ngan cach bi mot vach ngan C. Khi ta
rut C ra, cac phan t kh se dan dan chiem toan bo the tch V1+V2 cua hop. Sau khoang thi gian hoi

phuc, mat o phan t kh se ong nhat tai moi thi iem trong the tch cua hop va se khong con thay
oi theo thi gian. Trang thai sau cung nay cua khoi kh la trang thai can bang.
II.B Tien e c ban cua c hoc thong ke. Toan t Liouville
II.B.1 Phan bo vi chnh tac
Xet mot he S co lap, trang thai can bang, tc la cac ai lng v mo cua he nh nang lng E,
the tch V, so hat N, la oc lap oi vi thi gian. Khi nay co the ton tai mot so rat ln nhng trang
thai vi mo kha d tng ng vi trang thai v mo nay. Khong mot nh luat c hoc nao cho ta biet rang
trong nhng trang thai vi mo o, trang thai nao co u tien e xay ra hn nhng trang thai khac. T
nhan xet tren, ta co the khai quat hoa e phat bieu tien e c ban sau:
oi vi mot he co lap trang thai can bang, tat ca nhng trang thai vi mo kha d la ong xac
suat.
Noi khac i, mot he co lap trang thai can bang co the mot trang thai vi mo nao o vi xac suat
bang nhau.
V nang lng E cua he luon c xac nh vi mot sai so E nao o nen ta co cong thc tnh xac
suat Pl e he trang thai (l) co mc nang lng El:
E E l E + E
C = const ,
Pl =
(II.1)
,
E l ( E, E + E)
0
Khi nay, ta noi rang he S trang thai phan bo vi chnh tac. Tap hp thong ke gom nhng he tng
t vi he S c goi la tap hp vi chnh tac.
Tien e c ban tren a c oi chng vi ly thuyet va thc nghiem. Va qua that la cho en nay,
cac tnh toan da tren tien e nay eu cho nhng ket qua phu hp vi thc te quan sat c.
II.B.2 nh ly Liouville
Trong c hoc thong ke co ien, mot he co lap co f bac t do c mo ta bi f toa o suy rong va f
ong lng: {q 1 , q 2 ,..., q f ,p1 ,p 2 ,...,p f } . Tai moi thi iem, trang thai cua he c bieu dien bi mot
iem pha trong khong gian pha .
Xet tap hp thong ke cua he co lap nay. So he cua tap hp co v tr va ong lng nam trong the
tch pha nguyen to (dq 1 , dq 2 ,..., dq f , dp1 , dp 2 ,..., dp f ) c tnh bi:
(q 1 , q 2 ,..., q f ,p1 ,p 2 ,...,p f )dq 1dq 2 ...dq f dp1 dp 2 ...dp f , (II.2)
vi (q 1 , q 2 ,..., q f ,p1 ,p 2 ,...,p f ) la mat o so he trong khong gian pha.
Moi he cua tap hp thong ke chuyen ong theo thi gian, qui nh bi cac phng trnh:
H
H
q& i =
, p& i =
,
(II.3)
q i
p i
vi H = H (q 1 , q 2 ,..., q f ,p1 ,p 2 ,...,p f ) la ham Hamilton cua he.
V so he trong tap hp thong ke c bao toan nen so iem pha ra khoi mot the tch V bat ky nao
o trong mot n v thi gian phai bang toc o giam cua so iem pha trong the tch V o.
r
r
Vi v = (q& 1 , q& 2 ,..., q& f ,p& 1 ,p& 2 ,...,p& f ) la toc o chuyen ong cua mot iem pha va n la vect phap
tuyen cua dien tch S baor quanh
the tch V tai iem ang xet, so iem pha ri khoi dien tch dS la
r
.v.n.dS

Vay ta phai co
rr
r
d
.v.n.dS = vdS = dt dV .
S
S
V

(II.4)

Nhng theo nh ly Gauss-Ostrogradski:

r
r
AdS = (A)dV
S

vi la toan t gradient:

(
,
,...,
,
,
,...,
),
q1 q 2
q f p1 p 2
p f

r
r
nen ta co, bang cach ap dung nh ly nay cho vect A = v :
r
r
vdS = (v )dV .
S

T (II.4), ta suy ra
r

t + (v )dV = 0 .
V

(II.5)

V he thc tren phai c nghiem ung vi moi the tch V nen ta phai co
r

+ (v ) = 0
(II.6)
t
r
Tch vo hng cua cac vect va v cho ta

+
(q& i ) +
(p& i ) = 0
t i =1 q i
p i

f
q&

p&
q& i + i +
p& i + i = 0
+
t i =1 q i
q i pi
pi

p& i

q& i
= 0
+
p& i +

q
p
q
p

i = 1
i
i
i

&
&
p i q i
T he phng trnh Hamilton:
+
= 0 , ta co:
p i q i

q& i +


f
+
q& i +
p& i = 0 .
p i
t i =1 q i
Cuoi cung, ta co he thc cua nh ly Liouville:

d
=0
dt

(II.7a)

(II.7b)

va phng trnh tren c goi la phng trnh Liouville.

Xet trng hp = const, hoac tong quat hn, trng hp la ham ch cua nang lng E. V E la
hang so chuyen ong nen
E
E
.
=
=
.
= 0 , va
=0.
p i E p i
q i E q i
Vay

=0.
t
He thc tren co y ngha vat ly: S phan bo cac he tren nhng trang thai la khong oi theo thi
gian (tng ng vi trang thai can bang).
ac biet, oi vi tap hp vi chnh tac, trang thai can bang tng ng vi cac phat bieu: = const
vi E0 < E < E0+E, va = 0 tai cac vung co nang lng khong thoa hai bat ang thc kep tren.
Tom lai, nh ly Liouville cho ta biet rang tap hp thong ke tng ng vi trang thai can bang la
tap hp co = const trong khong gian pha, tc la cac trang thai kha d la ong xac suat. ieu nay
hoan toan phu hp vi tien e c ban cua c hoc thong ke.
II.B.3 Toan t Liouville
T he phng trnh Hamilton:
H
&
,
q i = p

p& i = H .

q i

va vi gia thiet ham H = H( qi, pi ) khong phu thuoc tng minh vao thi gian (
khong oi theo thi gian), phng trnh Liouville (II.7a) tr thanh
d f H
H
=0.
(II.8)
=
+
.

.
dt t i =1 q i p i p i q i

H
= 0 : nang lng E
t

Ta nh ngha dau ngoac Poisson {A,B} cua hai ham A(qi, pi, t) va B(qi, pi, t) nh sau:
f

{A, B} = A . B A . B .
(II.9)
p i q i
i =1 q i p i
Nh vay, phng trnh (II.8) tr thanh:
d
=
+ {, H} = 0 .
(II.10)
dt t
Phng trnh (II.10) la dang thu gon cua phng trnh Liouville. Ta cung co the viet la:

= {H , }.
(II.11)
t
Neu ta nh ngha toan t Liouville:

L = i{H , } ,

(II.12)

phng trnh (II.11) c viet

= iL .
t
Khi o, phng trnh tren co nghiem hnh thc:

(q i , p i , t ) = e i.L .t (q i , p i ,0) .

(II.13)

(III.14)

II.B.4 Entropi vi chnh tac

Xet he S co lap trang thai can bang, co mc nang lng El trong khoang E va E+E. Tien e
c ban cho ta biet rang tat ca nhng trang thai vi mo kha d eu co kha nang xay ra nh nhau nen neu
ta goi la tong so nhng trang thai vi mo kha d nay th xac suat e he S mot trong nhng trang
thai vi mo nay la
1
.
(II.15)
Pl =

Theo ly thuyet thong tin tong quat, ta co cong thc entropi cua phan bo vi chnh tac:

1
1
S = k Pl ln Pl = k ln
l =1
l =1

S = k ln . .

(II.16)

He thc tren cho ta thay rang entropi vi chnh tac co tnh thong ke, ong vai tro c ban trong vat ly
thong ke v nh ta se thay sau nay, o la cong thc au tien thiet lap moi lien he gia ac tnh vi mo
vi cac ai lng v mo cua mot he vat ly.
Theo cong thc tren, ta thay rang entropi S tang theo so trang thai vi mo .
Theo nh ngha va cac tnh chat cua entropi thong ke a xet trong chng I, nh vay ta thay trang
thai can bang la trang thai tng ng vi entropi cc ai; cac trang thai vi mo kha d eu ong xac
suat, tc la tnh mat trat t, tnh trang thieu thong tin ve he la co xac suat ln nhat hay noi khac i, khi
o ta hoan toan thieu thong tin ve he muon khao sat.
T cong thc (II.16) e tnh entropi vi chnh tac S va t tnh chat cua ham logarithm, ta co the de
dang chng minh rang S la ai lng cong tnh, ngha la khi he co lap S trang thai can bang gom
co hai he S 1 va S 2 oc lap nhau, co entropi vi chnh tac lan lt la S1 va S 2 , th entropi vi chnh tac
S cua he ln S c tnh bi:
S = S1 + S 2 .

(II.17)

II.B.5 Phan bo thong ke cua bien so noi

Xet mot he co lap trang thai can bang v mo c ac trng bi nhng tham so ngoai: E, V, N,
ma ta se viet (E,x).
Goi yl la gia tr cua mot bien so noi khi he trang thai (l), va (E,x;y)y la so trang thai vi mo kha
d e yl trong khoang (y,y+y). Xac suat e yl trong khoang (y,y+y) la:
( E, x; y).y
W ( E, x; y)y =
,
( E, x )
vi ( E, x; y) va W ( E, x; y) la cac mat o trang thai va mat o xac suat.
(Cac ieu kien chuan hoa se la:

( E, x; y)dy = ( E, x ) ,

( E, x; y)dy = 1 ).

Vay
ln W = ln ln ,
Ta co
1
ln = S ( E, x ) ,
k
va bang cach at
1
ln = s ,
k

trong o, s c goi la entropi vi chnh tac tng phan.

1
W = exp (s S ).
k
1
W exp s .
k
Gia tr cai nhien nhat ym cua bien so noi y la gia tr lam cho W cc ai. Nh vay:

1 s
k y

=0.
y=ym

Khai trien Taylor cua ham s quanh iem y = ym :

1
1
1
s
1
2s
s (y) s (ym ) + .(y ym ).
+
(y y m ) 2 2
y
k
k
k
y y=y
2k
m

+ ...
y = ym

Trong tong ben phai tren, so hang th nh triet tieu do ieu kien cc ai cua W . ong thi, ta
at

1 2s
k 2y

=
y= ym

1
2

(v s co cc ai tai y = ym nen ta co:

2s
2y

< 0 ).
y=ym

Nh vay
(y y m ) 2
W ( y) W ( y m ) exp
.
22

(II.18)

T o ta rut ra ket luan quan trong sau cho phan bo vi chnh tac:
Phan bo thong ke cua mot bien so noi la phan bo Gauss, co gia tr cai nhien nhat la tai ym .
Theo tnh chat cua phan bo Gauss, gia tr trung bnh cua ai lng y cung bang ym: y = y m .
II.C Cac tham so v mo

V cac mc nang lng cua mot he v mo phu thuoc vao cac tham so ngoai nen ta co the phan loai
cac tng tac gia hai he vi mo: Xet he co lap S gom hai he nho S 1 va S 2 tng tac nhau. Neu trong
qua trnh tng tac, S 1 va S 2 ch trao oi nang lng vi nhau ma cac tham so ngoai khong oi th ta
goi o la tng tac nhiet. Con neu s tng tac dan en s thay oi cua cac tham so ngoai th ta co

tng tac c. Trong phan sau ay, ta xet cac loai tng tac nay ong thi se a vao nh ngha cua
cac ai lng v mo ac trng cho mot he vat ly, o la nhiet o, ap suat, va the hoa hoc.
II.C.1 Nhiet o vi chnh tac

Xet trng hp co tng tac nhiet gia hai he nho S 1 va S2. Khi nay cac tham so ngoai cua moi he
eu khong oi ma ch co s trao oi nang lng gia hai he. Nang lng trung bnh trao oi gia hai
he S 1 va S 2 c goi la nhiet lng.
Goi E , E1 , va E 2 la o bien thien nang lng trung bnh cua cac he S , S 1, va S 2. V he S
co lap, ta co:
E = 0 E1 + E 2 = 0 .
Goi Q1 = E1 , Q 2 = E 2 la cac nhiet lng trao oi, ta co
Q1 + Q 2 = 0 ,
hay:
Q1 = Q 2 .
(II.19)
Y ngha vat ly cua he thc tren la Nhiet lng hap thu bi he nay bang nhiet lng cung cap bi
he kia.
Goi E1, E2 la nang lng cua cac he S 1, S 2 (E1, E2 la cac bien so noi). So trang thai vi mo kha d
cua S 1 va S 2 lan lt la 1 va 2. Cac ai lng nay phu thuoc E1, E2:
1 = 1(E1), 2 =
2(E2).
Goi E, la nang lng va so trang thai vi mo kha d cua he S . la ham theo mot bien E1, v t
E = E1 + E 2 ,
ta co
= 1 ( E1 ). 2 ( E 2 ) = 1 ( E1 ). 2 ( E E1 ) .
= ( E 1 ) .
Ta xet khi he ln S co lap, trang thai can bang. Theo tien e c ban, xac suat e he S trang
thai ma S 1 co nang lng trong khoang (E1, E1+E1 ) t le vi (E1):
P( E1 ) = C( E1 ) = C1 ( E1 ). 2 ( E 2 ) .
ln P 1 P
V cc tr cua lnP(E1) dan en cc tr cua P(E1) (v
) nen ta xet
=
P E1
E1
ln P( E1 ) = ln C + ln 1 ( E1 ) + ln 2 ( E 2 )
ln 1 ( E1 ) ln 2 ( E 2 )

+
=0.
E 1
E1
Nhng ta lai co
ln 2 ( E 2 )
ln 2 ( E 2 ) ln 2 ( E 2 ) E 2
.
=
=
E 2
E1
E 2
E 1
E 2
= 1 ),
(v
E1
nen

ln 1 ( E1 ) ln 2 ( E 2 )
+
=0,
E1
E 2

hay
k

ln 1 ( E1 )
ln 2 ( E 2 )
=k
.
E 2
E1

Cuoi cung ta co
S1 S 2
,
=
E 1 E 2
vi
S1 = k ln 1 , S 2 = k ln 2 .
V he thc tren ac trng cho trang thai can bang nhiet cua he S (Khi nay S = S1 + S 2 co cc ai)

nen ta nh ngha nhiet o vi chnh tac T1 , T2 cua cac he S 1, S 2 bi:

S
S
1
1
= 1
= 2 .
,
(II.20)

T1 E 1
T2 E 2
Nh vay, ta co: T1 = T2 , tc la khi S 1 can bang vi S 2, nhiet o vi chnh tac cua hai he bang nhau.
Vay nh ngha chung cua nhiet o vi chnh tac la

1
T

S
E

(II.21a)

hay:
1
T

=k

ln
E

(II.21b)

(ao ham rieng phan cua S theo E ch ra rang cac tham so khac cua he nh the tch, so hat, c gi
khong oi).
Cuoi cung, ta can chu y rang s phan bo cai nhien nhat cua nang lng E cua he S tng ng vi
cac nhiet o vi chnh tac cua S 1 va S 2 bang nhau.
Tnh chat cua nhiet o vi chnh tac: T > 0 , nang lng truyen t he T1 ln hn sang he co T1 nho
hn.
II.C.2 Ap suat vi chnh tac

Khi hai he tng tac nhau dan en s thay oi cua nhng tham so ngoai ma khong co s trao oi
nang lng th o la tng tac c. Nh vay, tng tac c cung van lam cho cac mc nang lng cua he
thay oi.
Cong c hoc thc hien len he c nh ngha la gia so cua nang lng trung bnh cua he tng
ng vi gia so cua tham so ngoai: W = E .
Cong c hoc ma he thc hien nh vay la: W' = W = E .
Ta co W + W ' = 0 . He thc nay noi len rang nang lng cua toan bo hai he la bao toan.
Tuy nhien, e co the khao sat s tng tac c gia hai hay nhieu he, ta can phai co ieu kien e
cac ai lng lien quan en cac tham so ngoai phai c hoan toan xac nh, v du nh khai niem ap
suat ma ta se a vao sau ay. Vay ta a vao khai niem qua trnh chuan tnh.
Qua trnh chuan tnh cua mot he vat ly la qua trnh trong o he bien oi t trang thai au en trang
thai cuoi bi mot chuoi lien tiep nhng trang thai can bang: tai moi thi iem, he trang thai can
bang tng ng vi cac gia tr cua cac tham so ngoai an nh cho he. Muon vay, s bien thien cua cac
tham so ngoai phai u cham sao cho he at c mot trang thai can bang mi trc khi cac tham so
ngoai nay thay oi ang ke. T u cham ay phai hieu la thi gian tac ong cua cac tham so
ngoai ln hn nhieu oi vi thi gian hoi phuc cua he.
V du: Khi ta nhot mot khoi kh vao mot xylanh, va c ngan bi mot piston. Khi nay, mot trong
cac tham so ngoai la chieu dai cua xylanh co cha chat kh. Neu khoi kh nay i ve mot trang thai can

bang mi sau thi gian la = 10-3 s sau khi khoang cach t ay xylanh en piston b giam i, th qua
trnh co the xem nh chuan tnh khi thi gian chuyen ong cua piston la 0,1s.

Tom lai, khi he thc hien mot qua trnh chuan tnh, cac tham so ngoai thay oi, nhng tai moi thi
iem eu co mot gia tr xac nh.
Ta xet he S tng tac vi mot he khac. Goi El la nang lng cua he S trang thai vi mo (l); El la
ham cua cac tham so ngoai x:
E l = E l ( x 1 , x 2 ,..., x ,..., x n ) .
Khi tham so x bien thien, o bien thien cua nang lng c viet
n E
dE l = l dx .
=1 x

Khi o, he thc hien mot cong la:

n E
l
dx .
Wl = dE l =

x

=1

(II.22)

at

X ,l =

E l
x

(II.23)

la lc suy rong tng ng vi tham so x, ta co

Wl =

X ,l dx

Nh
vay,
suy rong la

trong

X , l =
v ta co:

(II.24)

=1

tap

hp

thong

ke,

tr

trung

bnh

cua

lc

E l
,
x

Wl = X ,l dx .

Sau khi a vao khai niem tong quat cua lc suy rong tren, ta se nh ngha ap suat, mot trong
nhng ai lng quan trong ac trng cho he v mo:
Ap suat c nh ngha la lc suy rong tng ng vi tham so ngoai la the tch V cua he S
trang thai (l) co mc nang lng El:

Pl =

E l
V

(II.25)

nh ngha tren cua ap suat d nhien la ong nhat vi nh ngha cua ap suat ma ta a biet trong c
hoc co ien. e de thay ieu nay, ta xet lai v du tren cua khoi kh nhot trong xylanh. Neu goi tiet

dien cua xylanh la A th lc do khoi kh tac dung len piston la Ap, vi p la ap suat theo nh ngha co
ien. Khi piston di chuyen rat cham e he kh thc hien qua trnh chuan tnh va tai mot thi iem nao
o, he trang thai (l) co nang lng El . Cong do he thc hien la
W = ( pA)dS = p( AdS) = pdV
sau khi piston thc hien o di ds.
Nhng v:
W = dE l ,
ta co c:

dE l
.
dV
tren, khi gii thieu cac cong thc nh ngha entropi vi chnh tac (II.16) va nhiet o vi chnh tac
(II.21a va b), cho ta thiet lap c moi quan he gia cac ai lng v mo S, T vi ac tnh vi mo cua
he vat ly, ac trng bi so nhng trang thai vi mo kha d cua he. ay, ta cung se xay dng cong thc
tng t cho ap suat:
Xet he S = ( A A ) co lap nh hnh ve: he A cha mot chat kh, he A gom mot lo xo gan
chat vi mot piston. Chieu dai x cua xylanh cha he A la tham so ngoai. Hai he A va A ch tng tac
thuan tuy c hoc
vi nhau.
So trang thai vi mo kha d cua he A ch phu thuoc nang lng E cua A va tham so ngoai x: =
(E,x). Goi Etc va E la nang lng cua S va A, ta co: E = Etc E. V E la ham theo x nen nh vay
E cung la ham theo x: E = E(x).
e x t do bien thien. Sau mot thi gian, he at en trang thai can bang: (E,x) at gia tr cc ai:
ln ( E, x )
= 0.
x
ln ( E, x ) E ln ( E, x )

.
+
=0
E
x
x
E
V
= X x , theo nh ngha lc suy rong, va v
x
ln() 1
= = , theo nh ngha cua nhiet o vi chnh tac, ta co
E
kT
ln
.
X x =
x
Vay:
1 ln
S
Xx =
=T .
(II.26)
x
x
p=

Khi ta co x la the tch V, Xx se chnh la ap suat vi chnh tac:

S
p =T
V

hoac

p =

1 ln
V

(II.27a)

(II.27b)

Trong phan tren, ta a khao sat s tng tac nhiet gia hai he va dan en khai niem nhiet o va
cung nh s tng tac c e a en khai niem ap suat. Ta can chu y rang khi tng tac, moi he

khong trao oi hat la thanh phan cau tao nen he, tc la cac he luon la he kn. Sau ay, ta se xet trng
hp hai he tng tac nhau va co the trao oi hat, e gii thieu mot khai niem khac, o la the hoa hoc.
II.C.3 The hoa hoc vi chnh tac

Xet he co lap S gom hai he nho S 1 va S 2 tng tac nhau. Hai he S 1 va S 2 tng tac nhau co the
trao oi nhiet, trao oi the tch, va ca so hat. Goi E1, V1, N1 va E1, V2, N2 la nang lng, the tch va
so hat cua moi he S 1 va S 2. V he S co lap nen nang lng E, the tch V, va so hat N cua S thoa:
E1 + E 2 = E

xac nh.

V1 + V2 = V

xac nh.

N1 + N 2 = N

xac nh.

Neu so trang thai vi mo kha d cua S 1 va S 2 lan lt la 1(E1,V1,N1) va 2(E2,V2,N2), so trang

thai vi mo kha d cua S la
= 1 ( E 1 , V1 , N 1 ). 2 ( E 2 , V2 , N 2 ) .

V
E 2 = E E 1 , V2 = V V1 , va N 2 = N N 1 ,

nen la ham cua E1,V1, va N1:

= (E1,V1,N1).
Trang thai cai nhien nhat cua he tng ng vi cc ai tc la ln at cc ai. Khi nay:

ln
ln
ln
=0 ,
=0 ,
= 0.
E 1
V1
N 1
Ta co lien tiep cac ket qua sau:
ln 1 ln 2
ln 1 ln 2 ln 1 ln 2
=0
=
E + E = E E
E1
E 2
1
1
1
2

T1 = T2
( II.29a )

ln 1 + ln 2 = ln 1 ln 2 = 0 ln 1 = ln 2

V1
V1
V2
V1
V2
V1

p1 = p 2
( II.29 b)

ln 1 ln 2 ln 1 ln 2
ln 1 ln 2
+
=

=0
=
.

N
N
N
N
N
N
1
1
1
2
1
2

( II.29c)
tren, ta a goi T1 , p1 va T2 , p 2 la nhiet o va ap suat vi chnh tac cua S 1 va S 2 . Tuy nhien
ay, ta co them he thc (II.29c), ac trng cho s can bang cua qua trnh trao oi hat gia hai he S 1
va S 2 .
Noi chung, ta at:

= T

S
N

, hay

1 ln
N

(II.30)

va goi la the hoa hoc vi chnh tac cua he.

Nh vay, khi co s can bang gia hai he S 1 va S 2 , ta co, t (II.29c):
1 = 2 .

Ket luan: Khi hai he S 1 va S 2 tng tac nhau (nhiet, c, va trao oi hat) va at en trang thai can
bang, ta co nhiet o, ap suat va the hoa hoc cua hai he la bang nhau:
T1 = T2 , p 1 = p 2 , va 1 = 2 .
II.C.4 ai lng cng tnh va ai lng cong tnh

Ba ai lng vat ly ac trng cho trang thai can bang cua hai he tng tac nhau la nhiet o, ap
suat, va the hoa hoc co tnh chat ac biet quan trong ma ta se tm hieu di ay:
Xet mot tham so v mo y ac trng cho mot he S . Gia s he S c phan lam hai he nho S 1 va S
2 . Goi y1, y2 la cac gia tr cua ai lng nay cua cac he S 1 va S 2. Co hai trng hp co the xay ra:
hoac ta co y1+ y2 =y. Khi nay, y c goi la ai lng cong tnh.
hoac y1 = y2 = y. Khi nay, y la ai lng cng tnh.
Ta co the thay ngay rang cac ai lng sau ay la cong tnh: so hat N, the tch V, khoi lng M,
nang lng E, entropi S (cac ai lng nay lien he trc tiep en so hat cua he).
M
Va cac ai lng sau la cng tnh: mat o khoi lng =
(that vay, t so cua hai ai lng
V
cong tnh tr thanh cng tnh), va theo nh cac phan II.C.1, 2, va 3 ma ta a khao sat tren, nhiet o,
ap suat, the hoa hoc eu la cac ai lng cng tnh.
II.D Qua trnh thuan nghch va qua trnh bat thuan nghch

Khi xet mot he v mo th thong thng he c at trong mot so ieu kien nao o (c nh lung
hoa bi cac tham so v mo y1, y2,, yn). Nhng trang thai vi mo kha d cua he la tat ca nhng trang
thai tng thch vi nhng han che at ra cho he. Nh vay, neu goi la so trang thai vi mo kha d th
ta co he thc ham:
= ( y1 , y 2 ,..., y n ) .
Gia s trang thai v mo au tien cua he vi mot so han che nao o tng ng vi so trang thai vi
mo kha d la i. Gia s ta lay bt mot so han che i. Khi nay, tat ca nhng trang thai kha d cu van
con la kha d oi vi he, nhng ngoai ra, v so han che tren he b bt i, nen thong thng co the co
them nhieu trang thai vi mo na tr thanh kha d oi vi he. Tc la viec lay bt han che tren he co
ket qua la hoac lam tang hoac e khong oi so trang thai vi mo kha d luc sau ma ta k hieu la f :
f i
Neu f = i : he a trang thai can bang va co the mot trong nhng trang thai vi mo kha d
vi xac suat bang nhau, se van c phan bo vi cung xac suat tren cac trang thai vi mo tren. Trang
thai can bang xem nh khong b nhieu loan. Qua trnh nay la qua trnh thuan nghch.
Neu f > i : mot khi he a c phan bo mot cach ngau nhien tren cac trang thai vi mo kha d
th viec lap lai han che khong the lam cho he t ong ri nhng trang thai ang co e quay tr lai
nhng trang thai vi nhieu han che hn. Khi co mot qua trnh nao o xay ra trong mot he co lap e he
i t trang thai au en trang thai cuoi, ma viec at them hoac lay bt i nhng han che len he co lap
nay khong the thiet lap lai c trang thai au tien cua he, th qua trnh o la qua trnh bat thuan
nghch.

V du: Xet hai he A va A co nhiet o khac nhau ngan cach bi mot vach luc au cach nhiet. Hai
he A va A tng tac nhiet vi nhau khi ta e cho vach ngan truyen nhiet (lay bt han che). Sau mot
thi gian, cac he at en trang thai can bang.
Bay gi ta lai lam cho vach ngan lai cach nhiet (thiet lap lai han che). Ta se khong the thiet lap
lai trang thai au tien la cac he A va A co nhiet o khac nhau c. Vay qua trnh truyen nhiet ban
au la mot qua trnh bat thuan nghch.
Chu y rang qua trnh thuan nghch la mot trng hp ac biet, con hau het cac qua trnh trong t
nhien eu la qua trnh bat thuan nghch, tc la thong thng ta se co: f > i .
Nh vay, ve phng dien v mo, neu goi S la o bien thien cua entropi vi chnh tac cua mot qua
trnh, th ta co the phat bieu rang: Nhng qua trnh ma ta thng gap la nhng qua trnh co entropi
tang S > 0. Con qua trnh tng ng vi S = 0 la qua trnh thuan nghch.

BAI TAP

BT II.1 Hay chng minh trc tiep nh ly Liouville (khong dung nh ly Gauss-Ostragradski) bang cach xem
chuyen ong cua cac iem pha theo thi gian trong khong gian pha nh la chuyen ong cua mot chat
long qua mot the tch nguyen to co nh co dang hnh hop.
BT II.2 Chng minh rang entropi vi chnh tac la mot ai lng cong tnh.
BT II.3 Xet mot khoi kh co the tch V, gom N phan t ma the nang tng tac khong ang ke oi vi ong
nang, chuyen ong theo qui luat cua c hoc co ien va co nang lng phan bo trong khoang (0, E).
1/ Xet trng hp mot phan t. Tnh so trang thai vi mo kha d cua phan t nay.
2/ Suy ra so trang thai vi mo kha d cua N phan t cua khoi kh.
3/ Thiet lap cong thc tnh nang lng E cua khoi kh theo N va theo nhiet o vi chnh tac T .
Suy ra dang cua phng trnh trang thai f(p,V,T) = 0, trong o, p la ap suat vi chnh tac cua he.
BT II.4 1/ Chng minh rang nhiet o vi chnh tac cua mot he la mot ai lng dng: T > 0.
2/ Chng minh rang khi hai he S 1 va S 2 tiep xuc nhiet th nhiet lng luon c hap thu bi he co
nhiet o vi chnh tac nho hn va c phat ra bi he co nhiet o vi chnh tac cao hn.
BT II.5 Xet hai he tng tac nhau trng hp tong quat (trao oi nhiet lng, trao oi the tch, va trao oi so
hat).
Hay xac nh chieu trao oi cua the tch va so hat khi hai he tien en trang thai can bang.

VAN E II.A
He co nhiet o tuyet oi am

Biet rang mot electron co trang thai lng t xac nh bi vect x, y, z, S , Sz , vi S =

Sz =

1
, va
2

1
, L2, Lz ,S2,Sz hoac n, l, m, S, m s vi n, l, m,
. Trong trng the xuyen tam, vect trang thai nay la H
2

S va ms lan lt la so lng t chnh, so lng t qu ao, so lng t t, so lng t spin va so lng t momen
t spin. Moi mc nang lng En co bac suy bien bang gn = 2n2. Neu ta ch chu y en so bac t do spin th moi
1 1
1 1
hoac , , ma ta se k hieu ngan gon
electron se ac trng bi mot trong hai trang thai S, m s bang
,
2 2
2 2
la + hoac , tng ng vi cac nang lng xac nh + = B , va = B neu ta xet he N spin at trong

t trng eu co cam ng t B .
N

r r

(Cac gia tr + va tnh t ham Hamilton : H = i B , vi i = S i la moment t cua spin Si).

i =1

Gia s rang he N spin trang thai phan bo vi chnh tac.

1/ Hay tnh nang lng toan phan E cua he. Suy ra so n+ va n cua nhng spin + va .
2/ Tnh so trang thai vi mo kha d cua he e suy ra cac gia tr cua entropi vi chnh tac S va nhiet o vi
chnh tac T cua he.
3/ Ve ng bieu dien s bien thien cua entropi S cung nh cua

1
T

va T theo n v nang lng rut

E
.
gon
NB
Suy ra rang he co the co nhiet o tuyet oi am: T < 0 trong ieu kien xac nh.

Chng III

PHAN BO CHNH TAC - NG DUNG

III.A
III.B
III.C
III.D

He can bang vi he ieu nhiet

Gii han nhiet ong lc
ng dung cho he co ien
ng dung cho he lng t

III.A He can bang vi he ieu nhiet

III.A.1 Khai niem he ieu nhiet

Xet mot he vat ly S co nang lng E, S c tiep xuc nhiet vi he co nang lng E . Gia s

he

rat ln so vi he

S, tc la: E >> E. Do ieu kien nay, khi trang thai can bang nhiet, E thay

oi ang ke trong khi trang thai v mo cua hau nh khong oi. He c goi la he ieu nhiet cua he
S.

Khi S trang thai can bang vi , ta noi rang S phan bo chnh tac va cac he tng t vi S tao
thanh tap hp thong ke goi la tap hp chnh tac.
Ve mat nh lng, e co ieu kien cho he la he ieu nhiet, ta nhan xet rang he tong hp S

la he co lap, co nang lng tong cong la: Etc = E + E. Theo nh ngha, nhiet o vi chnh tac cua he
la:
1
T

S
E

E = E tc E

Vay, au tien th T phu thuoc E. Nhng neu la he ieu nhiet th ta phai co T oc lap oi vi
E.
Ta dung cong thc khai trien Taylor cua ham
2 S
S
S
( E ) = ( E tc ) + ( E E tc ) 2
E
E
E
=

S
2 S
( E tc ) E 2
E
E

+ ...
E = E tc

+ ...
E = E tc

T o, ta suy ra rang ieu kien nh lng e

tc la e he la he ieu nhiet, la:
E

2S
E 2

<<
E tc

S
E

.
E tc

S
( E ) tai iem E = E tc :
E

S
1
= khong phu thuoc nang lng E cua he S ,
E T

(III.1)

Ta goi nhiet o chnh tac T cua he S can bang vi he ieu nhiet la nhiet o vi chnh tac cua :

(III.2)

T = T

Khi nay, nhiet o T cua S la tham so ngoai (v b ap at t nhiet o vi chnh tac T cua he ), va
nang lng E cua he S la bien so noi. (Trong khi phan bo vi chnh tac cho he co lap, nang lng va
nhiet o eu la tham so ngoai).
III.A.2 Tha so Boltzmann trong phan bo chnh tac

Xet he S can bang nhiet vi he ieu nhiet , tc la ieu kien (III.1) c thoa.
Goi (l) la mot trang thai vi mo cua S, co nang lng E l . Neu goi Etc la nang lng (vi o gan

ung E) cua he tong hp S , th nang lung cua he la E phai thoa:

E l + E = E tc ,
(III.3)

V he tong hp S la he co lap nen ta co the ap dung tien e c ban cua c hoc thong ke: cac

trang thai vi mo kha d cua S la ong xac suat. Xac suat Pl e S trang thai (l) se bang so trang

thai cua S e S trang thai nay (so bien co thuan li) chia cho tong so nhng trang thai cua S

(so bien co tong cong) la tc. Nhng v khi S trang thai (l) th
E = E tc E l , nen

Pl = ,
(III.4)
tc

trang thai co nang lng

vi la so trang thai cua (bang so trang thai cua S khi S trang thai (l)).
V tc = const nen ta co the viet:
Pl = C ( E = E tc E l ) .
(III.6)
V theo nh ngha, entropi vi chnh tac cua la S = k ln , nen ta co:

S
).
k
Ta dung cong thc khai trien Taylor cua ham S ( E ) quanh iem Etc :
Pl = C exp(

S ( E ) = S ( E tc ) + ( E E tc )

S
E

+
E tc

2S
1
( E E tc ) 2 . 2
2
E

+ ... Vi ieu kien (III.1), ta thay ch can

E tc

gi lai hai so hang au trong he thc tren va v E E tc = E l ,

S ( E ) = S ( E tc )

Vay

S
E

=
E tc

1
T

1
, ta co
T

El
.
T

S ( E ) E
Pl = C exp( tc l ) .
k
kT
Cuoi cung, ta co cong thc tnh xac suat e he S trang thai (l) co nang lng E l:
Pl =

1 El
.e

kT

1 E l
e

(III.7)

1
c goi la nang lng ac trng va Z goi la ham tong thong ke, c tnh theo

ieu kien chuan hoa Pl = 1 :

ai lng kT =

( l)

= eEl

/ kT

( l)

= e E l

(III.8)

( l)

Phan bo thong ke c xac nh bi cong thc (III.7) c goi la phan bo chnh tac.
So hang e E l / kT c goi la tha so Boltzmann cua phan bo chnh tac.
III.A.3 Phan bo thong ke cua nang lng

Trong phan bo chnh tac, nhiet o cua he la tham so ngoai (an nh bi nhiet o cua he ieu
nhiet), trong khi nang lng cua he t do bien thien; o la bien so noi. Sau ay, ta se xet s phan bo
thong ke cua ai lng quan trong nay.
a) Trng hp tong quat

Moi mc nang lng El cua he co the suy bien. Ta goi g(El) la bac suy bien cua El. Vay, trong
trng hp tong quat, xac suat e he co nang lng El phai c nhan len bi tha so g(El):
1
(III.9)
P( E l ) = g( E l ) e E l kT ,
Z
va ham tong thong ke c tnh:

Z=

g ( E l )e E l
El

Gia tr trung bnh cua nang lng c tnh bi:

1
E = E l .Pl = E l e E l
Z ( l)
(l)
= E l . P( E l ) =
El

(III.11a)

1
E l .g( E l )e E l (III.11b)
Z El

b) Trng hp xap x lien tuc cua nang lng

Ta xet trng hp nang lng bien thien lien tuc. ieu kien e phep tnh gan ung nay c thc
hien la: cac mc nang lng phan bo rat sat nhau sao cho trong khoang nang lng E co mot so rat
ln cac mc, ong thi, ham f(El) e lay tong phai bien thien rat cham sao cho ta co f(E l) f(E).
Khi nay, neu goi w(E) la mat o xac suat th xac suat e he co nang lung trong khoang E va
E+dE la
dP( E) = w( E)dE .
(III.12a)
Mat khac, neu goi (E) la mat o trang thai th so trang thai co nang lng trong khoang E va
1 E
E+dE la (E)dE. V xac suat e co mot trang thai nay la
e
nen
Z
1
dP ( E ) = e E ( E )dE .
(III.12b)
Z
So sanh (III.12a) va (III.12b), ta co
1
w ( E ) = e E ( E ) .
(III.13)
Z

Do ieu kien chuan hoa

dP( E) = 1

(E0 la mc nang lng c ban cua he, co ngha la gia tr

E0

nang lng thap nhat), t (III.12b), ta co:

Z=

(III.14)

( E)dE

E0

Trong khong gian pha, neu so bac t do cua he la f, th so trang thai co nang lng trong khoang E
va E+dE la
r r
dqdp
,
( E )dE =
( 2 h ) f

r f
r f
vi dq = dq i , dp = dp i
i =1

i =1

Vay
1 E 1
r r
e
d qdp .
f
Z
(2h )
Va ta co cong thc tnh ham tong thong ke:

(III.15a)

dP( E ) =

Z=

1
( 2h)

r r
dqdp .

(III.15b)

E0

Gia tr trung bnh cua nang lng khi ai lng nay phan bo lien tuc c tnh, t trng hp phan
bo gian oan:

E = E l Pl

( l)

E=

E0

E0

EdP( E) =

Ew( E)dE .

1 + E
Ee ( E)dE .
ZE

(III.16)

Hay

E=

1 1
Z (2h) f

Ee

r r
dqdp .

(III.17)

E0

III.A.4 Cac ai lng ac trng cho he chnh tac

Ta thng dung he thc toan t sau:

= T

(III.18)

Nang lung t do cua he c nh ngha bi:

F = kT ln Z
Ta co:

Z = Ee E l

( l)

ln Z ( Z)'
=
=

Z
E=

(ln Z) .

(III.19)

( E l )e E l
Z

= E
(III.20)

 Ta nh ngha nhiet dung ang tch:

CV =

E
T

(vi V, N, = const)

(III.21a)

va nhiet dung rieng ang tch:

CV =

vi n =

1 E
n T

(III.21b)

N
la so mol cua he.
NA

Ta co the chng minh c cong thc cua entropi chnh tac:

F
.
T
Ap suat chnh tac cua he c nh ngha bi:
S=

p=

F
V

(III.22)

(III.23)

va the hoa hoc chnh tac:

=+

F
N

(III.24)

III.B Gii han nhiet ong lc

III.B.1 Khai niem gii han nhiet ong lc
Ta noi rang mot he v mo at en gii han nhiet ong lc khi kch thc he u ln e nhng thang
giang thong ke cua cac bien so noi la khong ang ke. Khi nay, moi bien so noi ch nhan mot gia tr
duy nhat (la gia tr trung bnh va cung la gia tr cai nhien nhat, v o lech gia hai ai lng nay tr
nen khong ang ke, nh ta se thay di ay).
He v mo gii han nhiet ong lc c goi la he nhiet ong lc.

III.B.2 Phan bo chnh tac gii han nhiet ong lc

Ta co cong thc tnh mat o xac suat (III.13):
1
w ( E ) = e E ( E )
Z
vi (E) la mat o trang thai, nen so trang thai vi mo kha d la:
= ( E ) dE ln = ln ( E) + ln(dE ) ln ( E )

S = k ln = k ln .
ln w( E) = ln ( E) E ln Z =

(III.25)

S ( E)
E ln Z . (III.26)
Z

Ta goi Em la gia tr cai nhien nhat:

1 S
1
ln w ( E )
=0=
=

k E
E
kT ( E m )
E
tc

T (E m ) = T
Tc la mot he v mo can bang vi he ieu nhiet th gia tr cai nhien nhat Em cua nang lng la gia
tr lam cho he nay co nhiet o vi chnh tac bang nhiet o cua he ieu nhiet.
Ta dung cong thc khai trien Taylor cua ham lnw(E) quanh gia tr cua Em va ch gi lai ba so hang
au:

ln w( E) = ln w ( E m ) + ( E E m )
V

w
E

+
Em

2w
1
(E E m )2 2
2
E

Em

= 0 , va at:
Em

w
E

w
E

2
Em

1 2S
k E 2

=
Em

(v lnw co cc ai tai Em nen

ta co

ln w ( E ) = ln w ( E m )

1
(E )2
2w
E 2

< 0 ),

(E E m )2
2( E ) 2

(E E m )2
w ( E ) = w ( E m ) exp
.
2( E ) 2

T ieu kien chuan hoa

(III.27)

w ( E )dE = 1 ,

ta co
+

w( E m )

(E E m )2
exp

dE = 1

2( E ) 2

Do tch phan Poisson

+
(E E m )2
exp
dE = 2 ( E ) 2 ,

2
2( E )

ta suy ra:
w( E m ) =

1
2 ( E ) 2

Mat khac, ta co, t cong thc (III.26)

S ( E m )
ln w ( E m ) =
E m ln Z ,
k
tc la

(III.28)

w( E m ) =

S ( E m )

1
E m ,
exp
Z
k

So sanh vi (III.28), ta co c:
S ( E m )

E m ,
Z = 2( E) 2 . exp
k

vi

1
( E) 2

1 2 S
.
k E 2

(III.29)

(III.30)

(III.31)

Ket luan:
He thc (III.27) chng to rang mat o xac suat bien thien theo nang lng theo dang phan bo
Gauss, tai gia tr Em .
V nang lng E va entropi S eu tang ty le vi so hat N cua he nen t (III.31), ta thay (E)2
bien thien nh so hat N.
Vay:
E
1
.
(III.32)

Em
N
Tc la phan bo co sai so tng oi rat nho khi so hat N cua he la rat ln.

III.B.3 S tng ng gia cac phan bo gii han nhiet ong lc

T cong thc tnh nang lng t do:
F = kT ln Z ,
ta co
S ( E m )

1
E m ln 2( E) 2 .
F = kT
Z
k

V Em va S eu ty le vi N, trong khi so hang cuoi ty le ch vi lnN, nen khi N rat ln (gii han
nhiet ong lc), ta co c
F = E m TS ( E m ) .

T cong thc tnh entropi S =

F
(III.22), ta cung suy ra c rang:
T

k
ln 2( E) 2 .
2
Va nh vay, gii han nhiet ong lc:
S = S ( E m )
Ta cung a co:
T = T ( E m ) .
Va tng t, ta cung chng minh c cho ap suat va the hoa hoc :
p = p ( E m ) ,
S = S ( E m ) +

= ( E m ) .

Ket luan: oi vi he v mo (co so bac t do hay so hat rat ln) trang thai can bang, cac phan bo
vi chnh tac va phan bo chnh tac la tng ng: cac ai lng vi chnh tac ong nhat vi cac ai

lung chnh tac (nh nhiet o, entropi, nang lng t do, ap suat, the hoa hoc,), va c goi la cac
ai lng nhiet ong lc.
Can chu y rang ket luan tren ch ung oi vi he nhiet ong lc trang thai can bang. Neu ta co
mot he au tien khong trang thai can bang th he se tien hoa khac nhau tuy theo trng hp ta e he
co lap hoac e he tng tac nhiet vi mot he ieu nhiet.

III.C ng dung cho he co ien

Mot cach tong quat, thay v dung c hoc lng t ta co the s dung c hoc co ien e giai quyet
h
co
bai toan lien quan en tnh chat vi mo cua he vi o chnh xac kha cao neu hang so c ban h =
2
o ln khong ang ke oi vi nhng ai lng vat ly (cung n v) cua he vat ly ang xet. V du nh
oi vi chuyen ong cua hat, c hoc co ien co the s dung neu cac o bat nh thc nghiem cua toa
o x va cua ong lng px thoa ieu kien:

x p x >> h .
Hoac la oi vi dao ong t ieu hoa co tan so goc va c gi nhiet o T, phng phap c
hoc co ien la thch hp neu ta co :
kT >> h .

III.C.1 Ham tong thong ke co ien

a) Trng hp he hat phan biet c
r r
1
Z=
e E dqdp ,
f
(2h)

(III.33)

r f
r f
vi f la so bac t do cua he, va dq = dq i , dp = dp i .
i =1

i =1

b) Trng hp he hat khong phan biet c

V khi hai hat giao hoan nhau, ta van ch co mot trang thai trong khi trong khong gian pha, ta van
co hai the tch nguyen to , (so o) khac nhau, nen so trang thai that s phai bang so the tch nay chia
cho 2.
Vay, oi vi he co N hat, so trang thai vi mo that s se bang so the tch nguyen to chia cho N!, la
so lan hoan v cua N hat :
Z=

1
( 2 h ) 3 N

r r
1
e E dqdp

N!

(III.34)

III.C.2 Phan bo Maxwell

Xet mot chat kh ly tng gom nhng phan t n nguyen t co nhiet o T va the tch V. Ta xet
mot phan t xac nh va ap dung phan bo chnh tac co ien cho phan t nay, cac phan t con lai xem
nh ong vai tro cua he ieu nhiet nhiet o T.
V la he kh ly tng nen nang lng cua phan t n thuan la ong nang:
p2
E=
.
2m

r r r r
r
r
r
Xac suat P( r , p)d r dp e phan t co v tr trong khoang r va r + d r va co ong lng trong khoang
r r
r
r
r
d r dp
p 2 2m
p va p + dp bang so o trong khong gian pha
nha
n
v
i
xa
c
sua
t
e phan t
e
( 2 h) 3
trong o nay :
r r
r r r r
p 2 2 m d rdp
.
P ( r , p )d r dp e
(2 h )3
r r
r
r
r
Vay xac suat P( p)dp e phan t co ong lng trong khoang p va p + dp c tnh:
2
r r
r r r r
P ( p )dp = P ( r , p )d r dp e p 2 m .
V

r r
r
r
r
T o, ta co the tnh xac suat P' ( v )dv e van toc cua phan t trong khoang v va v + dv la:
2
r r
r
P ' ( v ) d v = Ce mv 2 d v .
(III.35)
Ket qua tren c goi la phan bo Maxwell cua van toc phan t kh ly tng n nguyen t. (C la
hang so c tnh bi ieu kien chuan hoa ).
III.C.3 nh l phan bo eu
Trong c hoc thong ke co ien, nang lng cua mot he vat ly la ham cua f toa o suy rong q1, q2,
, qf va cua f ong lng suy rong p1, p2, , pf :
E = E ( q 1 , q 2 ,..., q f , p 1 , p 2 ,..., p f )
(III.36)
Thong thng, ta co the co hai ieu kien sau c thoa:
i) Nang lng toan phan c phan lam hai phan:
E = i ( p i ) + E ' ( q 1 , q 2 ,..., q f , p 1 , p 2 ,..., p i 1 , p i + 1 ,..., p f ) ,
(III.37a)
trong o i ch phu thuoc pi va phan con lai E khong phu thuoc pi .
ii) Ham i co dang toan phng theo thanh phan pi cua ong lng:
(III.37b)
i ( p i ) = bp i2 , vi b = const.
Trng hp ta thng gap la i(pi) la ong nang, ch phu thuoc moi thanh phan cua ong lng,
trong khi the nang khong phu thuoc ong lng.
Sau ay, ta se tnh gia tr trung bnh cua i khi he trang thai can bang nhiet.
Khi he can bang nhiet o T = (k)-1, he trang thai phan bo chnh tac, gia tr trung bnh cua i
c tnh theo cac tch phan trong toan bo khong gian pha:
+

i =

i dq 1 ... dp f

.
E

(III.38)

dq 1 ... dp f

Neu ieu kien i) c thoa, ta co:

i =

( + E ' )
e i i .dq1...dp f

( i + E ' )

dq1...dp f

e i i .dp i . e E ' dq1...dp f

+
E '

dp i . e

dq1...dp f

trong o, cac tch phan th nh t so va mau so khong c tnh theo bien pi, nh vay, cac tch phan
nay giong nhau va ta co the n gian e co

i =

i .dp i

+ i
e
dp i

e i dp i

dp i

+ i
ln e
dp i

Khi ieu kien ii) c thoa:

+

e i i .dp i =

bp i2

dp i =

+
2

e by dy ,

vi bien phu y = 2 p i .
Vay
+
1
2
1
i =

+
ln
ln
e by dy =
,

2
2

v so hang th nh trong tong e lay ao ham khong phu thuoc .

Cuoi cung, ta co

i =

1
kT
2

(III.39)

Tc la gia tr trung bnh cua moi so hang toan phng oc lap cua nang lng la bang
Ket qua quan trong tren c goi la nh l phan bo eu trong c hoc thong ke co ien.

1
kT .
2

Chu thch:
Neu thay v he thc (III.37a) cho ong lng pi, ta lai co ieu kien cho toa o qi nh sau
E = i (q i ) + E' (q1 , q 2 ,..., q i 1 , q i +1 ,..., q f , p1 , p 2 ,..., p f ) . (III.40a)
va
(III.40b)
i ( q i ) = bq i2 ,
th bang cach tnh tng t, ta cung co ket qua sau:
1
i = kT .
2
Can chu y rang nh l phan bo eu ch ung trong gii han co ien, tc la khi gia tr trung bnh cua
khoang cach gia cac mc nang lng chung quanh gia tr trung bnh E la rat nho oi vi nang lng
ac trng : E << kT , tc la khi nhiet o u cao. Con khi nhiet o T cua he ch cho ta : E kT , ta
khong the s dung nh l phan bo eu c na.
NG DUNG:
a) Xet mot phan t cua mot khoi kh ( khong nhat thiet la kh l tng ) nhiet o T. Neu phan t
r
r
r
nay co khoi lng m va khoi tam co ong lng p = mv , vi v la van toc cua khoi tam, ong nang
cua phan t nay la:
1 2
(px + p2y + p2z ) .
K=
2m
Chu y rang ong nang cua cac phan t khac, the nang tng tac gia cac phan t, va ca noi nang
do chuyen ong noi tai trong phan t (nh dao ong va chuyen ong quay, neu la phan t a nguyen
t), eu khong phu thuoc moi thanh phan pi2 . V vay, ta co the ap dung nh l phan bo eu cho moi
thanh phan cua ong nang, tc la

3
K = kT .
(III.41)
2
b) Xet mot dao ong t ieu hoa tuyen tnh co ien, c nang toan phan cua dao ong t la
1 p2 1
E = K+U =
+ m 2 q 2 .
2 m 2
Ap dung lan lt nh l phan bo eu cho K va U, ta co
1
1
K = kT , U = kT ,
2
2
nen:

E = kT .
(III.42)
nh l virial
Xet mot he kh gom N phan t, chiem the tch V. Ta gia s cac phan t khong co cau truc noi tai
r
va N, V u ln e he co the c xem la he nhiet ong lc. Xet mot phan t (i) co vect v tr ri , va
r
tong hp lc tac dung len phan t la f i .
Virial cua he c nh ngha la:
N
rr
(III.43)
= ri. f i
i =1

Gia s tam quan tnh cua he ng ngh trong he qui chieu quan tnh:

f
i =1

r
= 0 . Khi nay, virial

oc lap vi goc toa o.

r
Neu goi p i la ong lng cua phan t (i), cac phng trnh chuyen ong cua (i) c viet:
r r
dri p i
= ,
dt m
r
dp i r
= fi .
dt
T o:
r p2
d r r
(ri .p i ) = rri .f i + i
dt
mi
Lay tong tren tap hp N phan t:
d r r
ri .pi = + 2K ,
dt
vi :
N
p2
K= i
i =1 2m i
la tong ong nang cua ca he.
Lay tr trung bnh theo thi gian cua he thc tren:
N
= d rri .pr i = 0 .
+ 2 K
dt i =1

(That vay, tr trung bnh cua

dg
la:
dt

dg
1
1 dg
= lim dt = lim [g() g(0)] .

+
0 dt

dt
N
rr
V g = ri .pi la ai lng b chan, nen gii han tren bang khong).
i =1

Hn na, trang thai can bang, tr trung bnh theo thi gian bang tr trung bnh tren tap hp
(nguyen l ergodic), nen:
1
K = .
(III.44)
2
He thc tren la noi dung cua nh l virial : trang thai can bang, tr trung bnh cua ong nang
1
cua he bang gia tr trung bnh cua virial cua he.
2
So sanh vi nh l phan bo eu cho ong nang cua he N phan t (III.41), ta co
= 3NkT.

III.C.4 Kh l tng
a) Ham tong thong ke
e tm lai cac ket qua thc nghiem a co cho kh ly tng, tc la cho he hat ong nhat, oc lap
(the nang tng tac gia cac hat khong ang ke oi vi ong nang cua moi hat) va khong phan biet
r
r
c, au tien, ta xet trng hp mot hat M co toa o r va ong lng p chuyen ong trong the tch
V, tc la trong gieng the ba chieu:
r
khi M( r ) V
0
U(x, y, z) =
(III.45)
r
khi M( r ) V

r r r r
Vi r = x i + yj + zk la toa o cua M va V la the tch cua mot khoi lap phng. Gia s hat trang
thai chnh tac {T, x}.
Ham tong thong ke Z1 cua mot hat M nay c tnh:
r r
1
Z1 = 3 exp(E)dqdp ,
(III.46)
h
p2
p2
+ U la nang lng cua hat, bang tong so cua ong nang
va the nang U.
vi E =
2m
2m
r r
1
p2
Z1 = 3 exp[(
+ U)]dqdp
2m
h

1
h

exp(
3

r
p2 r
)]dp exp(U)]dq
2m
3

p2
= exp( x )]dpx . exp(U)]dxdydz.
2m
h

Ap dung cong thc tch phan Poisson cho tch phan th nhat, ta co
p2
1
1
I = exp( x )dpx =
2mkT .
(III.47)
h
2m
h
e tnh tch phan th hai, ta nhan xet rang khi M V, U = 0, va khi M V, U , nen
J = exp(U)dxdydz= V .
Vay:

Z1 = I 3J =

Chu y: e tnh tch phan

V
h

(2mkT )3 2

exp(

exp(

(III.48)

p 2 r
)dp , ta cung co the dung toa o cau (p, , ):
2m

p 2 r
p 2 2
)dp = exp(
) p sin dpdd
2m
2m
= 4

exp(

p 2 2
) p dp = ( 2 mkT) 3 2 ,
2m

bang cach dung cong thc cua tch phan Poisson:

+

t 2 e at dt =

1
4

a3

Bay gi, ta xet he hat ong nhat, oc lap, va khong phan biet c trong gieng the cho bi cong
thc (III.45), trang thai chnh tac {T, x}. Nang lng cua he cho bi:

pi2
+ Ui ,
i =1 2m
N

E=

(III.49)

va ham tong thong ke cua he c tnh:

Z=

r r
r r r
r
1 1
exp( E)dq1dq 2 ...dq N dp1dp 2 ...dp N . (III.50)

3
N
N! h

1
co trong bieu thc cua Z do gia thiet he hat khong phan biet c).
N!
V cac hat la ong nhat nen ta co:
(Chu y rang tha so

Z=

1 1
N! h 3 N

N p i2

i =1

exp 2 m + U i dq 1dq 2 ...dq N dp 1 dp 2 ...dp N

N

r r

p2
1 1
=
3 exp ( i + U i ) d q i d p i .
N! h
2m

( III .51)

Nhan xet rang bieu thc trong dau moc {...} chnh la ham tong thong ke cua mot hat Z1 ma ta a
tnh c (cong thc (III.48)), ta co:
1
Z=
( Z1 ) N
N!
1 VN
( 2mkT) 3N / 2 .
(III.52)
Z=
3
N
N! h

b) Khao sat nhiet ong lc

oi vi he ta xet la he v mo; N u ln e ta co the ap dung cong thc Stirling:
ln(N!) NlnN ,
e co
( 2mkT) 3N / 2
ln Z = N ln N + N ln V + ln
.
h 3N

Vay, ta co cong thc tnh nang lng t do Helmholtz:

F = kT ln Z
( 2 mkT) 3N / 2
.
(III.53)
= kTN[ln N + ln V ] kT ln
h 3N
Ap suat chnh tac cua he la
F NkT
,
(III.54)
p=
=
V
V
va ta co phng trnh trang thai cua kh ly tng:
(III.55)
pV = NkT

Ta cung tnh c entropi cua he:

F
S=
T

S=

3
Nk ln T + S0
2

(III.56)

vi S0 la hang so.
Cuoi cung, cong thc tnh noi nang cua he kh ly tng c suy ra t:

U = E = ln Z ,

va ta co c

U=E=

3
NkT
2

(III.57)

Ket qua nay ta co the thu c bang cach ap dung nh l phan bo eu cho he N hat kh ly tng.
III.C.5 Kh van der Waals

Trong chat kh, ta co the nang tng tac gia cac hat (phan t) nho hn so vi ong nang cua hat
(khi the nang tng tac co the bo qua, ta co chat kh l tng, con neu the nang nay co the so sanh
c oi vi ong nang cua hat, th he cac hat nay c xem nh la chat long). Gia s he kh nay
trang thai chnh tac.
Ham tong thong ke cua he hat phep gan ung co ien la:
r r
1
1
Z=
e E d q d p ,
(III.58)

3
N
N! ( 2 h )
trong o:

r
1
p i2 + U(q) ,
(III.59)

2m
neu ta gia s he hat la ong nhat, khong phan biet c. Ta co cong thc tnh ham tong thong ke:

E=

1
1
Z=
N! ( 2 h ) 3 N

p i2 r
2m
dp.

r
U ( q ) r
e
dq ,

Nhng v:

pi2 r
2m
dp

p2

i r
2
m
= e
dp i

p2

2
2
m
= 4 e
p i dp i

pi2 r
2m
dp

= (2 mkT )3N 2 ,

nen

Z=
vi

1
1
(2 mkT )3N 2 Zu ,
3
N
N! ( 2 h )

(III.60)

r r
Z u = e . U ( q ) dq

(III.61)

la ham tong thong ke lien quan en the nang tng tac gia cac hat.
r
(Trong trng hp U (q ) 0 , ta se co: Zu=VN, va ta tm lai c ket qua cho he kh l tng ).
Ta gia s rang tng tac cua hat th ba vi hai hat ang xet la khong ang ke, tc la the nang
r
r r
tng tac cua toan he hat U(q) la tong cua the nang tng tac cua tng cap hat (i,j): u ij ri r j (v the
r r
nang tng tac gia hai hat ch phu thuoc khoang cach tng oi ri rj gia hai hat (i) va (j) ).

Khi nay:

r
r r
r r
1
1
U ( q ) = u ij ri r j u ij ri r j
2 i j i
2 j i

r r
Thong thng, the nang tng tac cua mot cap hat u ij ri rj u() c cho bi bieu thc:

u LJ ( ) = u 0 0

12

2 0

(III.62)

c goi la the Lennard-Jones, ma ng bieu dien c ve tren hnh III.1. Ta co the kiem tra c
rang khi < 0 , the tng tac tng ng vi lc ay, trong khi > 0 , the tng tac tng ng vi lc
hut.
Hoac mot cach s lc hn, the nang tng tac cua tng cap hat cho bi mo hnh khoi cau cng
(hnh III.2):
, < 0

s
(III.63)
u() =
0

u
0 , >
0

vi s = 6 la gia tr thng c chap nhan.

H.III.1: The Lennard-Jones

H.III.2: The cua khoi cau cng

Ta at gia thiet tiep theo la moi phan t chuyen ong trong mot the nang hieu dung Ueff (giong
nhau cho moi phan t) do tat ca cac phan t khac sinh ra. Vay, oi vi he N hat:
N

r
(III.64)
Z u = e U eff dq ,

trong o, tch phan c lay tren toan bo the tch V cua bnh cha.
Bi v trong mot the tch Vx nao o, Ueff (do lc ay rat manh), va trong the tch con lai VVx, ta co the xem nh
U eff = U eff = const .

Vay:

Z u = (V Vx )e U eff

],
N

(III.65)

1
N2
cap hat nen neu goi u la the nang tng tac trung bnh cua moi
N ( N 1)
2
2
cap hat, the nang cua toan he c tnh:
N2
1
(III.66)
NU eff =
u U eff = Nu .
2
2
4 2 2 d
V xac suat e moi hat hien dien trong khoang gia va + d la:
, nen:
V
Bi v co tat ca

u=

u ( )

4 2 2 d .
V

e co gia tr cu the cua u , ta gia s mo hnh khoi cau cng co the ap dung c, tc la:
u=

4 u 0
V

0

0

4 u 0 s s 2
2
0
d .
d . =
V

Ta lai gia s rang s > 3: ng cong the nang giam u nhanh e tch phan trong bieu thc tren hoi
tu:
+

4 u 0 s 3 s
4 u 0 s0 30 s
u=
0
=

V
V
3s
3 s
0

U eff

vi

4u 0 30
u=
.
V 3s
1 4 u 0 30
.
= N
2
V 3s
N
U eff = a ,
V
a =

(III.67)

(III.68)

2 3 3
0
u 0 ,
3
3s

(III.69)

Mat khac,the tch loai tr cua he kh la NVx cung c tnh bang so cap hat
loai tr cua moi hat la

4
o3 nen:
3

1 2 4
N ( 3o )
2
3
2 3
Vx =
o . N
3

NV x =

Vx=b.N

vi

b' =

(III.70)

2 3 1 4 3
o =
o
3
2 3

(III.71)

Ta phoi hp cac cong thc (III.60) va (III.65) e co:

Z=

1
1
(2 mkT
N ! (2 h )3 N

3N

[(V V

)e U eff

T o, ta tnh c ap suat trung bnh cua khoi kh:

(III.72)

1 2
N nhan vi the tch
2

p=

1 ln Z 1
[N ln(V Vx ) NU eff ]
=
V
V

Vi gia tr cua U eff (III.68) va Vx (III.70), ta co:

p=

N2
NkT
N2
NkT
a' 2 =
a' 2
V Vx
V b' V
V
V

Cuoi cung ta co c phng trnh trang thai:

2

p + a' N (V b' V) = NkT

(III.73)

V2

c goi la phng trnh van der Waals cho kh thc. Neu a= 0, b= 0, ta co phng trnh trang thai
kh ly tng.

Ta co nhan xet la trong (III.60), tha so th nhat ve trai cho thay rang ap suat cua kh thc ln
hn so vi ap suat cua kh ly tng., bieu th lc tng tac hut tam xa, va tha so th hai bieu th the
tch cua he kh thc giam ty le vi so hat N oi vi the tch cua kh ly tng, v cac phan t kh thc
phai c xem nh co kch thc.
T phng trnh (III.73) tren, tng ng vi moi gia tr cua nhiet o T, ta ve c ng bieu dien
s bien thien cua ap suat p theo the tch V, goi la ng ang nhiet van der Waals.
Ta thay rang khi nhiet o T ln hn mot gia tr Tc (goi la nhiet o ti han Tc), moi gia tr cua p ch
cho duy nhat mot gia tr cua V. ng ang nhiet vi T = Tc goi la ng ang nhiet ti han. Cac gia
tr Vc va pc cua the tch va ap suat tng ng vi ng ang nhiet nay tai iem tiep tuyen nam
ngang c goi la the tch va ap suat ti han.

III.D ng dung cho he lng t

III.D.1 He dao ong t ieu hoa lng t tuyen tnh

Theo ket qua cua c hoc lng t, cac mc nang lng cua mot dao ong t ieu hoa tuyen tnh co
tan so goc cho bi:
1
E n = ( n + )h ,
(III.74)
2
vi cac trang thai kha d cua dao ong t c ac trng bi so lng t n co gia tr nguyen, dng
hay bang khong: n= 0, 1, 2,
Ham tong thong ke cua dao ong t c tnh:

1
h

Z = e E n = exp h( n + ) = exp
exp( hn ) Nhng ta co
2
2 n =0

n =0
n =0

exp ( h n ) = 1 + e h +e 2 h

+ ...

n =0

la tong vo han cac so hang cua cap so nhan co so hang au la 1 va co cong boi la q = e h < 1 . Tong
1
.
nay hoi tu ve:
1 e h
Vay:
e h / 2
e h / 2
(III.75)
Z=
=
1 e h e h 1
Ap dung cong thc tnh nang lng trung bnh (III.20):

E=
(ln Z) ,

ta co
h
h
(III.76)
E=
+ h
2 e
1
Vay, oi vi he co N dao ong dao ong t, ta co nang lng trung bnh cua he:
Nh
Nh
E N = NE =
+ h
2
e
1
Xet trng hp gii han cua nhiet o T u ln e kT >> h , tc la nang lng ac trng rat ln
oi vi hai mc nang lng lien tiep nhau cua dao ong t. V khi nay h >> 1 nen ta co the dung
h

cong thc khai trien Taylor cho ham mu e

:
h
e
1 + h
h
E=
+ kT kT.
(III.77a)
2
Ta tm c ket qua cua phep tnh co ien. Qua that vay, v kT >> h , nen nh ta a thay, cac
phep tnh xap x co ien phai em lai ket qua tng oi chnh xac.
Xet trng hp nhiet o thap: kT << h e h >> 1 . Khi nay, phep tnh gan ung cho:
h
E=
+ he h .
(III.77b)
2
Khi T u nho e ta co the bo qua so hang th nh, nang lng trung bnh cua dao ong t tien en

mc c ban h .
2

III.D.2 He Rotato lng t

a) Rotator co ien

Xet hai hat M1 va M2 co khoi lng m1 va m2, cach nhau mot khoang re. Khoi tam G cua he c
xac nh trong toa o Descartes:
r
r
m1 OM1 + m 2 OM 2 m1 r1 + m 2 r2
=
OG =
.
m1 + m 2
m1 + m 2
Neu chon goc toa o O trung vi khoi tam G:
re
r
r
r
r r
m 1 r1 + m 2 r2 = 0 m1 r1 = m 2 r2 1 = 2 =
.
m1 m 2 m1 + m 2
Moment quan tnh cua he oi vi O la:
I = m1 r12 + m 2 r22
co the tnh nh sau:
I = re2 ,
m1 m 2
, goi la khoi lng rut gon cua he.
vi =
m1 + m 2
Moment ong lng cua he oi vi goc O:
r r
r
r
r
L = r1 m1v1 + r2 m 2 v 2 .

r
Neu khong co lc ngoai nao tac dung len he, L = const , he quay quanh truc Oz trong mat phang
r
vuong goc vi L vi van toc goc khong oi. Ta co:
r
L = m1 (r1 .v 1 ) + m 2 (r2 .v 2 ) = m1 (r1 .r1) + m 2 (r2 .r2 )

= m1 r12 + m 2 r22
r
L = I = re2 .

Khi nay, c nang toan phan cua he la tong ong nang cua hai hat:
1
1
1
E = m1 v 12 + m 2 v 22 = I2 .
2
2
2
r
Tc la ham Hamilton lien ket vi nang lng uc tnh theo moment ong lng L :
L2
L2
=
H=
.
(III.78)
2I
2re2
(Ta thay bai toan Rotator co ien rut ve bai toan chuyen ong quay cua hat ao khoi lng , cach
goc O mot khoang re).
b) Rotator lng t
e khao sat lng t he Rotator, ta chuyen cac ai lng L va H thanh cac toan t moment ong
lng va toan t Hamilton theo nguyen l tng ng:
.
L L ; H H
Vay, he thc (III.78) cho:
2
=L ,
(III.79)
H
2I
vi ket qua co c theo c hoc lng t:
L2 l, m = h 2 l( l + 1) l, m ,
(III.80)

trong o vect ket l, m la vect lien ket vi ham ieu hoa cau Ylm (, ), vi l nguyen dng hoac
nguyen am, va m co the nhan 2 l +1 gia tr
m = - l, - l +1,,0,, l +1, l.
Nh vay:
2
2
l, m = L l, m = h l( l + 1) l, m = E l, m ,
H
l
2I
2I
vi El la gia tr cua cac mc nang lng:
h 2 l( l + 1)
,
2I
cac mc nay co bac suy bien 2 l +1.
Ham
tong
thong
ke

(III.81)

El =

Z = e
(l )

E l

(2l + 1)e

(E l )

E l

cua

= (2l + 1)e
(l )

phan

bo

h 2l( l +1) / 2 I

(III.82)

chnh

tac

viet:

Tr trng hp cua phan t H2 co moment quan tnh qua nho, oi vi nhng phan t lng nguyen
t khac, khoang cach gia hai mc nang lng quay lien tiep tnh t (III.81) vao khoang 10-4eV. Do o
nhiet o T u ln, ta co
h 2 l( l + 1)
(III.83)
E l =
<< 1
2I
Co ngha rang hai so hang lien tiep cua tong (III.82) khac nhau rat t, va co the thay the tong gian
oan (III.82) bang tch phan:
Z=

h
(2 l + 1)e

l ( l + 1) / 2 I

dl .

Bang cach at bien so mi u = l (l +1), ta tnh c:

Z=

2I
h2

kT

(III.84)

Tuy nhien, cong thc (III.84) ch co gia tr oi vi nhng phan t co hai nguyen t khac nhau. Con
khi hai nguyen t giong nhau, ta phai chu y en tnh khong phan biet c cua cac nguyen t nay. Tuy
nhien, mot khi ieu kien (III.83) c thoa, ta ch can chia bieu thc Z cua (III.84) cho 2, v khi ta
quay truc noi hai nguyen t mot goc 180o cung nh khi ta hoan v hai nguyen t, ta a em hai lan
khac nhau so trang thai trong tong (III.82), trong khi thc s th ta ch co mot trang thai duy nhat (hai
nguyen t ong nhat). Vay cong thc tong quat cho ham tong thong ke phai la:
2I
Z = 2 kT ,
h
neu hai nguyen t khac nhau
= 1 ,
vi
neu hai nguyen t giong nhau
= 2 ,
Nang lng trung bnh cua moi he Rotator la

(ln Z ) = 1 = kT
(III.85)
E=

Vay oi vi he N Rotator:
E N = NE = NkT
(III.86)

III.D.3 Nhiet dung rieng cua kh ly tng lng nguyen t

Nang lng E cua kh ly tng lng nguyen t gom nang lng Etr cua chuyen ong tnh tien cua
khoi tam, nang lng Erot cua chuyen ong quay quanh hai truc vuong goc vi truc noi hai nguyen t,
nang lng Evib cua dao ong ieu hoa. Ve phan ong gop cua lp vo electron quanh hat nhan, ta co
the nh lai rang cac gia tr cua nang lng kch thch lp vo nay co o ln vai eV, tc la tng ng vi
nhiet o vai chuc ngan o Kelvin:
1 eV T 12.000K .
Vay, ch vi nhiet o rat cao cac lp vo electron quanh hat nhan mi co anh hng en viec tnh
nhiet dung cua chat kh.
Tuy nhien, cung can biet rang co nhng biet le cho nhan xet tren, nhat la trng hp ta phai tnh
en cau truc tinh te cua mc nang lng c ban: do lien ket gia momen ong lng qu ao L va spin
S, mc nang lng nay tach ra thanh tng mc di ma khoang cach gia hai mc ch bang vai phan
tram eV, tc la tng ng vi nhiet o ac trng khoang vai tram o. Tuy nhien, trong mot so trng
hp, ta co the xem nh mc nang lng c ban la suy bien bac (2L+1)(2S+1) va khong can tnh en
anh hng cua lp vo electron na (ta noi rang cac bac t do electron b ong bang).
Tom lai, nhiet o nho hn nhieu oi vi vai chuc ngan o Kelvin, ta ch can xet en anh hng
cua chuyen ong tnh tien, chuyen ong dao ong, va chuyen ong quay:
E = Etr + Evib + Erot
3
3
oi vi mot mol phan t kh, ta co: E tr = N A kT = RT
2
2
(Vi R = NAk la hang so chat kh)
nen nhiet dung rieng tng ng vi chuyen ong tnh tien la
C tr 3
C tr =
= R .
T
2
oi vi chuyen ong dao ong va chuyen ong quay, ta a vao cac khai niem nhiet o ac trng
cua dao ong Tvib va quay Trot : cac nhiet o rat nho so vi Tvib (hay so vi Trot ), cac bac t do cua

dao ong (hay quay) se ong bang va khong anh hng en gia tr cua nhiet dung.
Nen biet rang ta luon co Trot < Tvib , tc la cac chuyen ong quay de b kch thch hn la chuyen
ong dao ong. ong thi, Tvib cang ln neu lc tng tac lien nguyen t cang ln va cac nguyen t
cang nhe (thay oi t vai tram en vai ngan o Kelvin). Trong khi o, nhiet o ac trng cua chuyen
ong quay thng nho (vai o Kelvin), tr trng hp phan t H2, do co momen quan tnh rat nho, co
nhiet o nay vao khoang 85K. Nh vay, nhiet o T thong thng: T >> Trot va cac bac t do quay co
ong gop vao gia tr cua nhiet dung. Ta co bang sau cho ta cac nhiet o ac trng Tvib va Trot :
Phan t
H2
Cl2
Br2
O2
N2
CO
HCl
HBr

Tvib (K)
6215
808
463
2256
3374
3103
4227
3787

Trot (K)
85,3
0,35
0,12
2,1
2,9
2,8
15,0
12,0

Vay, oi vi chuyen ong dao ong, khi T << Tvib ; ket qua (III.77b) cho oi vi mot mol kh:

h
= const
2
CV = 0

E os = N A

va khi T >> Tvib , ket qua (III.77a) cho:

E vib N A kT

CV = R .

Va oi vi he gom NA rotator, ta co, theo (III.86):

E = N A kT = RT
va nhiet dung rieng ang tch c tnh:
CV = R .
Vay, tai nhiet o T ma cac bac t do dao ong va quay eu co ong gop vao nhiet dung, ta co,
trong khi ke ca chuyen ong tnh tien:
3
7
CV = R + R + R = R .
2
2
Va nhiet o T << Tvib , ta co:
3
5
CV = R + R = R .
2
2
ac biet, oi vi phan t H2, khi T << 85K:
3
CV = R .
2
7R/2

CV

5R/2
3R/2
R
o

H.III.4

III.D.4 Nhiet dung cua vat ran. Phonon

Vat ran tinh the c cau tao bi cac nguyen t hay ion dao ong khong ngng, vi cac v tr can
bang cach eu nhau. Trong phan nay cua chng, ta se xet mot ng dung quan trong cua phan bo
chnh tac trong viec tnh nhiet dung rieng cua vat ran.
a) Ket qua thc nghiem

Thc nghiem cho thay rang nhiet dung rieng CV cua vat ran bien thien theo nhiet o T nh hnh
ve: nhiet o cao khoang tren vai tram o K, CV oc lap vi T va co gia tr bang 3Nk (nh luat
Dulong va Petit); nhiet o thap di vai chuc o K, CV bien thien ty le vi T3.

b) Giai thch co ien

C hoc thong ke co ien giai thch rat n gian nh luat Dulong va Petit: ta ap dung nh l phan
bo eu cho N hat dao ong ieu hoa ba chieu. Ta a thay rang moi dao ong t ieu hoa mot chieu co
nang lng trung bnh la kT, tc la oi vi moi dao ong t ieu hoa ba chieu, nang lng nay bang
3kT, va v he gom N dao ong t nh vay nen nang lng trung bnh bang 3kT, cho ta ket qua
E
(III.88)
CV =
= 3Nk .
T
Tuy nhien, ly thuyet co ien tren khong the cho cau tra li oi vi nhiet o cao hay nhiet o thap
phu hp vi ket qua thc nghiem ma ta a thay tren.
c) Mo hnh Einstein
Ngay t nam 1907, khi ma cac y tng ve vat ly lng t ch mi bat au phat trien, Einstein a
e ngh mot phng phap co the giai thch s giam cua nhiet dung rieng vat ran vung nhiet o thap.
Tuy nhien, mo hnh nay van gia s rang cac hat (nguyen t hay ion) cua tinh the dao ong oc lap vi
nhau, tc la moi hat chuyen ong di anh hng cua the trung bnh (phng phap gan ung trng
trung bnh) .
phep tnh gan ung au tien, moi hat cua vat ran chu tac dung cua N-1 hat con lai di dang
r
r
cua mot the trung bnh u m ( r ) phu thuoc v tr r cua hat nay:

r
1
u m ( r ) = u 0 + kr 2 ,
(III.89)
2
vi u0 la nang lng lien ket oi vi moi hat trong tinh the.
Nh vay, moi hat nay c xem nh mot dao ong t ieu
hoa ba chieu oc lap, co cung tan so goc

E =

k
,
m

(III.90)

vi m la khoi lng cua mot hat.

He N hat cua vat ran c xem nh he hat ong nhat nhng phan biet c v cac hat nay chiem
nhng v tr khac nhau trong mang tinh the, co ham tong thong ke
Z = zN

vi z la ham tong thong ke cua moi hat, c tnh theo cong thc

z=

exp( )

(III.91a)

n1 , n 2 , n 3

3
exp [ u 0 ( u x + u y + u z + )h E )
2
n1 ,n 2 ,n 3

(III.91b)

T o, ta tnh c:

z=e

e h E / 2
1 e h E

u 0

(III.92a)
3

u 0

1
,
= e
2shh E / 2
trong o, sh la ham sin hyperbol.
Va nh vay, ham tong thong ke cua he c tnh
Z=e

(III.92b)

1
.

2shhE / 2

N u 0

(III.93)

T cac cong thc tnh nang lng trung bnh

E = ln Z = N
ln z

va nhiet dung ang tch

E
,
CV =
T

ta co c:
C V = 3Nk (h E ) 2

e hE

(e hE 1) 2
Neu ta nh ngha nhiet o Einstein TE bi
kTE = hE ,

(III.94)

(III.95)

(III.96)
(III.97)

ta co
2

CV

1
T
= 3Nk E
.
2
2T sh TE / 2T

(III.98)

nhiet o u cao, ta suy ra c rang

CV = 3Nk, T >> TE,
(III.99)
ket qua hoan toan phu hp vi nh luat thc nghiem Dulong va Petit.
Tuy nhien, nhiet o T << TE, ta lai co

C V = 3Nk (TE / T )2 e TE / T

(III.100)

Tc la CV giam theo dang ham mu, trong khi nh ta a thay tren, thc nghiem lai cho ta ket qua
la CV giam theo T3.
d) Phng thc dao ong chuan (normal modes). Mo hnh tinh the mot chieu
e n gian bai toan, au tien ta xet mo hnh gom N hat ong nhat, co khoi lng m, sap xep eu
theo mot chuoi tron chieu dai L, sao cho hat th N+1 trung vi hat th nhat (e bo qua tac dung cua
bien). Lc hoi phuc tac dung len hat th q la:
(III.101)
Fq = K ( x q x q +1 ) K ( x q x q 1 ) ,
trong o, K la he so hoi phuc.
The nang cua he c tnh
1 N
U = U 0 + K ( x q x q +1 ) 2 ,
2 q =1
v
Fq =

U.
x q

(III.102)

(III.103)

Cac phng trnh chuyen ong co ien khi nay c viet

d2xq
= 02 ( 2x q x q +1 x q 1 ) ,
(III.104)
2
dt
vi 0 = K / m .
Nh vay, ta co he thong N phng trnh lien ket cho N bien xq. Ta xet nghiem cua he phng trnh
tren di dang to hp song ti:
x q ( t ) = ae i ( kql t )
(III.105)
t nhan xet rang ql xac nh v tr can bang cua hat q. k la vect song, lien he vi qua he thc tan
sac:
(III.106)
( k ) = 20 sin( kl / 2) .
ieu kien bien tuan hoan:
xN+1 = x1
cho ta
2
2
,
(III.107)
k=n
=n
Nl
L
vi n la so nguyen, dng, am hoac bang khong: n Z.
ong thi v cac vect song k va k vi
2
, p Z,
(III.108)
k' = k + p
l
cho ta cung gia tr cua va cung gia tr cua xq(t) nen ta co the gii han:

(III.109)
k (vung Brillouin th nhat).
2
l
Va nh vay:
N
N
(III.110)
n .
2
2
Ta nhan xet rang quanh gia tr k = 0, he thc tan sac (III.106) co the viet

ck ,

(III.111a)

c = 0 l

(III.111b)

vi

la van toc truyen am trong tinh the.

ieu quan trong ay la ta thayhe cac phng trnh lien ket (III.104) co the bien oi thanh he cac
phng trnh cua cac dao ong t ieu hoa oc lap nhau, goi la cac phng thc chuan (hay phng
thc rieng) bang cach at
( k, t ) =

e ikql x q ( t ) .

(III.112)

q =1

That vay, vi nghiem viet di dang tren, ta se co:

2
( k, t ) = [( k )] 2 ( k, t ) ,
(III.113)
2
t
vi (k) c tnh theo (III.106). Tc la bay gi ta co N phng trnh vi phan cua dao ong ieu hoa
oc lap.
e) Phng thc dao ong chuan. Mo hnh tinh the ba chieu
Ta co the tong quat hoa phan tren cho tinh the ba chieu: v tr moi hat trong tinh the bay gi
r
xac nh bi vect ri (i = 1, 2,, N), va moi thanh phan cua toa o Descartes c k hieu ri ( = x,
y, z). The nang cua he bay gi c viet
r r
r
1
U ( r1 , r2 ,..., rN ) = U 0 + K ij ri r j
(III.114)
2 i, j ,
vi U0 la nang lng lien ket toan phan cua he, va the nang U thoa cac phng trnh
U r r r
(0,0,...,0) = 0
(III.115a)
ri
2U r r r
(0,0,...,0) = K ij .
(III.115b)
ri r j
Cung nh he N dao ong t tuyen tnh, ta co the chng minh c rang luon ton tai cac bien chuan
i (la to hp tuyen tnh cua cac thanh phan ri), sao cho the nang U cua he co the c viet
1
~
U = U 0 + K i i2 .
(III.116)
2 i
Tc la ta se co he thong 3N dao ong t ieu hoa tuyen tnh oc lap nhau; o la cac phng thc
chuan cua tinh the, tng ng vi cac dao ong tap the cua vat ran. rMot khi ta xet en ieu kien bien
tuan hoan, moi phng thc chuan se tng ng vi mot vect song k co dang
r p r
p r
p r
k = 1 b1 + 2 b 2 + 3 b 3 ,
(III.117)
N1
N2
N3
r r r
vi b1 , b 2 , b 3 la cac vect c s cua mang ao (reciprocal lattice) cua tinh the; N1, N2, N3 la cac so
rat ln; p1, p2, p3 Z.
r
Can chu y rang trong tinh the ba chieu, tng ng vi moi vect song k se co ba phng thc
chuan khac nhau, do s phan cc cua dao ong (tc la do s chuyen di moi hat khi song truyen qua).
Do o, ta phai them ch so ( = 1, 2, 3) e k hieu s phan cc nay:
r
= (k) .
(III.118)
r
Khi o ln cua k u nho:

r
k << / l ,

(III.119)

ta co the xem nh tinh the la moi trng lien tuc. Song dao ong khi nay la song am, thoa phng
trnh truyen song
1 2n
(III.120)
n 2 2 = 0 ,
c t
r
vi n ( r , t ) la mat o hat, c la van toc truyen am trong tinh the.
Phng trnh (III.120) cor nghiem viet di dang
r
r
n( r , t ) = n 0 e i ( kr t ) ,
(III.121)
r
vi va k thoa he thc:
r
=ck
Nhng trong thc te, cac song am co the la song ngang co van toc ct va song doc co van toc c l

nen ta phai co:

r
r
t (k) = c t k ,
r
r
l ( k) = c l k .

(III.122a)
(III.122b)

Lng t hoa cac phng thc chuan

r
Nh vay, moi phng thc chuan c ac trng bi mot vect song k va mot trang thai phan cc
(). Do o, trang thai vi mo lng t cung c ac trng bi 3N so nguyen dng hoac bang khong
n k , co nang lng
r
1
E = U 0 + ( n k + )h ( k ) .
(III.123)
2
k,

Ham tong thong ke cua he c tnh:

Z = eU 0 z k ,

(III.124)

k,

vi

1
2

z k = exp[( n k + )h ( k )]
n k

(III.125)

{ }

r
la ham tong thong ke cua phng thc chuan k, . Ta de dang tm c:
1
r
z k =
.
(III.126)
2sh[h ( k ) / 2]

T bieu thc cua nang lng trung bnh:

r
r

1
1
r
E = ln Z = U 0 + h ( k ) + h ( k ).

2 k,
exp[h ( k ) 1]
k,

(III.127)

ta tnh c nhiet dung ang tch

r
r 2 exp[h ( k )]
E
(III.128)
CV =
= k [h ( k )]
r
T
[exp h ( k ) 1] 2
k ,
r
r
V cac vect k rat gan nhau, ta thay tong ri rac tren k bang tch phan:
V
d 3k ,
(III.129)

3
( 2)
k

trong o, V la the tch cua vat ran.

Neu goi ( )d la so nhng phng thc chuan co tan so trong khoang va + d, t he thc
(III.127), ta tnh c:
r M
1
1
.(III.130)
E = U 0 + h ( k ) + ( )d
2 k ,
exp(

1
0
Can tren M cua tch phan he thc (III.130) c xac nh bi:
M

()d = 3N .

(III.131)

Mo hnh Debye
Phep tnh gan ung Debye gia s rang he thc tan sac la tuyen tnh cho tat ca cac phng thc
chuan co dang nh (III.122a va b):
r
(III.132)
= c k .

T nhan xet rang

( )d =

V
( 2)

4k 2 dk ,

ta co cong thc tnh mat o phng thc chuan

4 V
2
( ) =
3
( 2 c )

(III.133)

r
V ton tai hai phan cc ngang (hai phng oc lap trong mat phang vuong goc vi k ) va mot phan
cc doc nen mat o toan phan c tnh
( ) = 2 t ( ) + l ( ) ,

tc la

( ) =

3V

2 ,

2 3

(III.134)

2 c
trong o, c c tnh bi
3
2
1
= 3+ 3 .
3
c
ct cl

(III.135)

Nh vay, ta co the tnh c tan so Debye D t ieu kien (III.131):

D

3V
2 3

2 c

2 d = 3N
1/ 3

6 2 N
.
D = c
(III.136)
V

Ta co the nh ngha nhiet o Debye TD nh sau:

kTD = h D .
Nh vay, theo mo hnh Debye, nang lng trung bnh cua tinh the c tnh bi
E = E0 +

3V
2 2 c 3

h3d

e h 1

vi E0 la hang so oi vi nhiet o T:
r
1
E 0 = U 0 h ( k ) .
2 k,

(III.137)

Trong bieu thc (III.137), neu ta thc hien phep bien oi trong ham di dau tch phan: x = h :
3T / T

T D x 3dx

E = E 0 + 9 NkT
.
x
TD 0 e 1
Tng t, ta cung co he thc tnh nhiet dung:

(III.138)

3T / T

T D x 4e x

C V 9 Nk
dx .
(III.139)
x
TD 0 e 1
nhiet o u thap: T << TD, ta co the thay the can tren cua tch phan trong he thc (III.138)
bang , va tch phan nay co gia tr:
+

x 3dx
ex 1

4
.
15

Do o:
3

T
3
, T << TD,
E = E 0 + 4 NkT
5
TD

(III.140)

va
3

T
12
, T << TD .
C V = 4 NkT
5
TD

(III.141)

Ta thay CV bien thien theo T3 nhiet o thap, hoan toan phu hp vi thc nghiem.
nhiet o u cao: TD/T << 1, ta co the khai trien ham ex quanh iem x = 0 e co ket qua:
C V = 3Nk ,
phu hp vi nh luat Dulong va Petit.
f) Khai niem chuan hat: phonon

Ta co the giai thch rang trong mot tinh the, khi cac phng thc chuan cua dao ong c lng t
hoa th xem nh cac kch thch tap the lam xuat hien cac chuan hat. V cac chuah hat nay tng ng
vi s truyen am trong tinh the nen c goi la phonon- t Hy Lap phone ngha la am thanh. Nh
vay, theo mo hnh rtren th tinh the xem nh cha mot kh ly tng cac phonon. Moi phng thc
chuan co vect song k va co trang thai phan cc () tng ng vi mot trang thai rieng le kha d cua
r
r
cac phonon. Moi phonon trang thai nay co ong lng p = hk va co trang thai spin ac trng bi
r
r
(), co nang lng ( p) = h ( k ) .

ong thi, he thc tnh nang lng trung bnh (III.130) co the c giai thch bang ngon ng
phonon: moi trang thai rieng le co so chiem ong trung bnh c tnh bi:
1
n ( , T ) =
.
(III.142)
e 1
Nh ta se thay, trong chng VIII, o la phan bo thong ke Bose-Einstein, s dung cho cac hat co
spin nguyen, cung nh cac photon, la lng t cua bc xa ien t.
Tuy nhien, can chu y rang phonon khong phai la hat that, v ch ton tai vi ieu kien la tinh the
cung cap mot cho da vat chat ma thoi.

BAI TAP
BTIII.1 Hay chng minh he thc toan t:

= T
.

BTIII.2 Chng minh rang nang lng t do F la a lng cong tnh.

BTIII.3 Chng minh he thc Helmholtz: E = F T

F
T

BTIII.4 T cong thc nh ngha cua entropi thong ke, hay chng minh: F = E TS .
BTIII.5 Chng minh cong tc cua entropi chnh tac: S =

F
.
T
r

BTIII.6 Chng minh rang trang tha chnh tac, mot khoi kh ly tng nam trong trng trong lc eu g se co
ham phan bo cho mat o phan t theo o cao z c tnh bi: n(z)=noexp(-mgz); va t o suy ra ap
suat: p(z)=poexp(-mgz) (cong thc phong vu bieu).
BTIII.7 T phng trnh van der Waals oi vi mot mol chat, hay chng minh cac ang thc sau cho ng
ang nhiet ti han:

Tc =

8a
27 bk

Vc = 3Nb ;

pc =

a
27 b2

BTIII.8 Hay dung nh ly phan bo eu e tm la ket qua cua nang lng trung bnh cua moi phan t lng
nguyen t co gia tr bang kT.
BTIII.9 Hay chng minh rang theo ly thuyet Debye ve nhiet dung vat ran, ta co cong thc tnh nang lng cua
vat ran co N nguyen t (hay ion):

T
E = E 0 + 3NkT.D c
T

, vi

E0 =

3
Nh4max .
4

BTIII.10 Bang cach thay the x g ( t ) = ae i ( kql t ) vao phng trnh chuyen ong (III.104), hay tm lai he thc
tan sac (III.106):

( k ) = 20 sin( kl / 2) .
BTIII.11 Hay tm lai phng trnh dao ong ieu hoa ng vi moi phng thc chuan (III.113):

2
t

( k, t ) = [( k )] 2 ( k, t )

VAN E III.A
Khao sat thong ke tnh thuan t
Xet mot he v mo S can bang vi mot he ieu nhiet co nhiet o T va at trong t trng co cam ng t

r
B 0 . Nang lng E l cua cac trang thai vi mo M la ham theo B0: E l = E l ( B 0 ) , va he se co moment t, la

lc suy rong lien ket vi B0:

Ml =

E l
.
B0

Ta nh ngha o t hoa:

M=

1
Ml
V

vi V la the tch cua S va M l la gia tr trung bnh cua momen t Ml , va o cam ng t:

M
.
B0 0 B0

= lim

Trong van e nay, ta se ch xet hieu ng thuan t cua he S .

r
r
moment ong lng qu ao va spin cua cac electron trong nguyen t), ta biet rang lien ket vi J la momen t
r
c tnh:
r
r
= g B J ,
eh
trong o, g la tha so Lande ( 1) va B la magneton Bohr ( B =
).
2m

Goi J la momen ong lng toan phan cua moi nguyen t (hay ion) nut mang tinh the ( J la tong cua

Ham Hamilton cua he la

r
N
r
H = i B 0 = g B J z B 0 (JZ la hnh chieu cua J tren Oz ), neu he gom N hat. Biet rang he hat
i =1

c xem nh la ong nhat, phan biet c.

1
2

A/ Trng hp J z = ( )
au tien, ta xet trng hp J z =

1
.
2

1) Viet bieu thc tnh ham tong thong ke z cua moi hat. Suy ra bieu thc cua ham tong thong ke Z cua
ca he.
2) Viet cac cong thc tnh o t hoa M va o cam ng t theo nang lng t do F.
3) Ve ng bieu dien s bien thien cua M theo x = B0 .
4) Chng minh rang gii han nhiet o khong hay t trng B0 rat ln, entropi cua he co gia tr bang
khong (he hoan toan co trat t) va gii han nhiet o rat ln hay t trng B0 bang khong, entropi cua he co
gia tr cc ai bang Nk ln 2 (he hoan toan hon loan).
T nhan xet rang entropi cua he ch phu thuoc t so B0/T, hay suy ra rang ta co the ha nhiet o cua he
rat thap (t 1K en 10-3K) bang phng phap kh t chuan tnh.

B/ Trng hp tong quat: J co gia tr bat ky

1) Chng minh rang khi J co gia tr bat ky, nang lng t do cua he c tnh bi:

sh gx J +

F = NkT ln
gx
sh
2

vi x = B B 0 , va sh la ham sin hyperbol.

2) Chng minh rang neu x << 1 (nhiet o u ln), o cam ng t se t le nghch vi nhiet o (nh luat
Curie)

C
,
T

vi C la hang so Curie. Xac nh bieu thc cua hang so nay.

Chng IV

NHIET ONG LC HOC THONG KE

IV.A Cac ai lng nhiet ong lc
IV.B C s cua nhiet ong lc hoc
IV.C Khao sat nhiet ong lc hoc cua he kh ly tng

IV.A Cac ai lng nhiet ong lc

IV.A1 Cong va nhiet lng

Ta xet mot he co tham so ngoai la the tch, the tch nay bien thien t gia tr V en gia tr V+dV.
Neu qua trnh bien oi cua he la chuan tnh e ap suat cua he co gia tr xac nh la p th cong v mo
nguyen to ma he thc hien c la
W = pdV .
(IV.1)
Neu the tch luc au va luc sau cua he sau qua trnh lan lt la Vi va Vf th cong thc hien bi he
sau qua trnh bien oi c tnh bi
Wif =

Vf

Vf

Vi

Vi

W =

pdV .

(IV.2)

Mot cach tong quat th Wif phu thuoc vao qua trnh bien oi (tc la W khong phai la mot vi phan
chnh xac), trong khi neu goi E la nang lng cua he th E la mot ham cua trang thai v mo, tc la gia
tr
f

dE

(IV.3)

khong phu thuoc qua trnh ma ch phu thuoc trang thai au i va trang thai cuoi f cua he (dE la mot vi
phan chnh xac).
Bay gi ta xet hai he v mo tng tac vi nhau, khi nang lng cua mot he thay oi th s thay oi
nay khong phai ch do tham so ngoai bien thien ma thoi. Do o, ta co the phan biet o bien thien cua
nang lng lam hai phan: phan th nhat la do tham so ngoai bien thien, o la cong ma he nhan c
la W, va phan th nh la nang lng ma he nhan neu tham so ngoai khong oi la nhiet lng Q.
Vay o bien thien nang lng E cua he co the c viet
E = W + Q
(IV.4)
hay:
Q = E + W ,
(IV.5)
la o bien thien nang lng khong do tham so ngoai.
T cong thc tren, ta co the nhan xet rang Q khong phai la mot vi phan chnh xac.

IV.A.2 Khai niem nhiet o

T nh ngha cua nhiet o:
1 S
=
,
T E
vi S = k ln la entropi va la so trang thai vi mo kha d cua he, ta co:
1
ln
=
=
.
kT
E

Nhng v la ham tang rat nhanh theo nang lng: E f , vi f la so bac t do cua he (thng
la rat ln v he vat ly ta xet la he v mo) nen ta suy ra rang:
>0 T>0,
(IV.6)
tc la nhiet o luon dng.
(Tuy nhien, neu ta ch chu y en bac t do spin ma khong e y en chuyen ong tnh tien th ta se co
khai niem nhiet o am- Xem van e II.A)
Xet hai he S (E) va S (E) co nhiet o ban au ac trng bi i va i i . e hai he nay tng
tac nhiet vi nhau. Goi nang lng luc au va luc sau cua he S va S la E i , E f va E i , E f . Xac suat
E + dE c tnh:
e he S co nang lng trong khoang E va

P( E) = C( E) ( E )
ln P( E ) = ln C + ln ( E ) + ln ( E ) .
V xac suat P(E) phai tang trong suot qua trnh nen:

ln ( E)
(E f E i ) + ln ( E ) 0
E
E
Vay, t nh ngha cua nhiet lng:
Q = E f E i ; Q = E f E i ,
ta co
i Q + i Q 0 ,
va t Q + Q = 0 , ta co ket qua
( i i )Q 0 .
(IV.7)

T he thc tren, ta suy ra ket qua quan trong la neu he S nhan nhiet, tc la Q > 0 (v Q = Ef -Ei
nen khi he nhan nhiet: Ef > Ei ), ta phai co
i > i Ti > Ti

(IV.8)

tc la nhiet lng c truyen t S sang S khi nhiet o cua S ln hn nhiet o cua he S . Ta noi
rang he S nong hn he S . Vay khai niem nhiet o ch ra chieu truyen cua nhiet lng.
e o lng nhiet o, ta thng dung phng trnh traang thai cua kh ly tng. Theo quy c quoc
te, nhiet o tuyet oi c chon tai iem ba cua nc la 273,16 va tnh bang o Kelvin. Nhiet o bach
phan (o Celcius) c tnh:
= ( t 273,16) C .
IV.A.3 Khai niem entropi
Xet he S tng tac nhiet va tng tac c vi he S sao cho he S thc hien qua trnh chuan tnh
t trang thai co nang lng va tham so ngoai la E va x en trang thai co E+dE va x + dx . V so
trang thai vi mo kha d bay gi phu thuoc ca E va x : = ( E, x ) nen

d ln =

n ln
ln
dE +
dx .
E
=1 x

Vi lc suy rong X c lien ket ti tham so ngoai x nh ngha bi

ln
X =
(IV.9)
x
va
=

ln
,
E

(IV.10)

Ta co
n

d ln = dE + X dx .
=1

Nhng v cong thc hien bi he la W = X dx nen

d ln = [dE + W ] = Q .
v = dE + W la nhiet lng thu bi he S . Vay
1
Q = d(ln ) = TdS .

T o
dS =

va nh vay:

Q
,
T

(IV.11)
dE = Q W = TdS W
Chu y rang, mat du Q khong phai la mot vi phan chnh xac ta van co dS la mot vi phan chnh
xac, v S la mot tham so ac trng cho trang thai cua he:
f
f
Q
.
(IV.12)
S f S i = dS =
T
i
i
IV.A.4 Khai niem nhiet dung

Xet trang thai v mo cua he vat ly khao sat c mo ta bi nhiet o T va cac tham so v mo khac
c ky hieu la y. Nhiet dung cua he c nh ngha bi
Q
Q
Cy
(IV.13)
= lim
,
T y T 0 T y
ngha la ta gi y khong oi, cung cap cho he mot nhiet lng rat nho Q va xet s thay oi cua nhiet
o cua he.
V Q = TdS nen
S
C y T .
(IV.14)
T y
T he thc tong quat tren, ta nh ngha nhiet dung ang tch Cv cua he khi the tch V gi khong
oi:
Q
S
CV
(IV.15)
= T ,
T V
T V
va nhiet dung ang ap Cp cua he khi gi ap suat p cua he khong oi:
S
Q
Cp
(IV.16)
= T .
T p
T p

IV.B C s cua nhiet ong lc hoc

IV.B.1 Cac nguyen ly cua nhiet ong lc hoc
Nhac lai rang ta a co he thc thong ke gia entropi S va so trang thai vi mo kha d :
S = k ln , la he thc thiet lap moi lien he gia tnh vi mo (ac trng bi ) va tnh v mo (ac trng
bi S) cua he vat ly thong qua hang so Boltzmann k.
Xet ba he A, B va C. Khi hai he A va B tiep xuc nhiet va trang thai can bang, ta co he thc
gia cac nhiet o TA va TB cua A va B:
TA = TB.
Neu A va C tiep xuc nhiet va trang thai can bang, va goi TC la nhiet o cua he C, ta co:
TA = TC.
Vay:
TB = TC.
T nhan xet tren ta co the phat bieu nguyen ly th 0 cua nhiet ong lc hoc
Khi hai he cung can bang nhiet vi mot he th ba th hai he nay can bang nhiet vi nhau
Khi mot he tng tac nhiet va tng tac c vi mot he khac va he thay oi trang thai v mo th
nang lng E, ai lng ac trng cho trang thai v mo cua he, bien thien mot lng
E = W + Q ,
(IV.17)
trong o, W la cong do he thc hien va Q la nhiet do he nhan.
Vay, neu he la co lap: W = 0 va Q = 0, ta co:
E = 0
tc la:
E = const .
Vay, ta co noi dung cua nguyen ly th nhat cua nhiet ong lc hoc nh sau:
Mot trang thai can bang v mo co the c ac trng bi mot ai lng la noi nang E cua he, co
tnh chat nh sau: oi vi he co lap:
E = const
Va neu he tng tac va t trang thai v mo nay chuyen sang trang thai v mo khac:
E = W + Q
vi W la cong cua he thc hien va Q la nhiet lng thu c bi he.
Theo cac nhan xet phan IV.A.3 tren ve entropi, ta co the phat bieu nguyen ly th hai cua nhiet
ong lc hoc nh sau:
Vi entropi S la ai lng ac trng cho trang thai can bang v mo cua he, ta co:
Khi he oan nhiet (khong tng tac nhiet vi bat ky mot he nao khac) thc hien mot qua trnh
t trang thai v mo nay en trang thai v mo khac, entropi cua he luon tang: S 0 .
Neu he thc hien mot qua trnh chuan tnh vo cung be va nhan mot lng nhiet Q , o bien
thien cua entropi c tnh:
Q
dS =
T
vi T la ai lng c goi la nhiet o tuyet oi cua he.
Ta biet rang vi f la so bac t do cua he co nang lng E, so trang thai vi mo kha d cua he c
tnh: = E f . Vay:
ln = f ln E
ln f
= ,
=
E
E
vay:


f
= 2 ,
E E

tc la:

< 0.
E
Neu goi E0 la mc nang lng c ban (mc nang lng thap nhat), th tng ng vi E0, ch co mot
hoac mot so trang thai vi mo nao o (neu mc nang lng nay suy bien). Co ngha rang neu nang
lng E tien ve E0 th tr nen rat nho: ln 0 , tc la S 0 .
Ta cung co
1 T
T
.
= 2
=
E T E
kT E

< 0 , nen ta phai co

Theo tren:
E
T
>0.
(IV.19)
E
Co ngha rang khi nang lng E giam ve mc c ban E0, nhiet o T cua he giam rat nhanh. T o
ta co the phat bieu nguyen ly th ba cua nhiet ong lc hoc:
Khi nhiet o tuyet oi T giam ve 0, ta co entropi S cua he giam ve 0.
Chu y rang ta phai than trong khi xet he nhiet o rat thap, v khi o cac hieu ng lng t xuat
hien rat ro, cac spin cua hat nhan bat au co anh hng va gia tr cua entropi cua he khi nay la do s
nh hng cua cac spin hat nhan. V vay, khi nay ta se co the cho gia tr cua entropi bang S0, vi S0
oc lap vi moi tham so cua he:
S 0 = k ln S ,
(IV.20)

trong o, S la so trang thai vi mo lien quan en spin cua hat nhan nguyen t.

IV.B.2 He thc c ban cua nhiet ong lc hoc

V so trang thai vi mo kha d la ham cua nang lng E va cua tham so ngoai x: = (E, x),
1 ln
, nen ta se thiet lap c he thc gia cac ai lng
va theo he thc tnh lc suy rong: X =
x
X, x ,va nhiet o T. Cu the la khi tham so ngoai la the tch V cua he: x V, ta co cong thc tnh
ap suat:
1 ln
(IV.21)
p=
V
la ham theo T va V: p = p(T,V).
T o, ta se thiet lap c he thc gia p, V, va T:
f(p,T,V) = 0 .
(IV.22)
goi la phng trnh trang thai cua he vat ly ta ang xet.
Khi he thc hien qua trnh chuan tnh vo cung be, ta co o bien thien cua nang lng la
dE = Q W
Vi x V la tham so ngoai:
W = pdV ,
ong thi, v:
Q = TdS ,

ta co ngay he thc c ban cua nhiet ong lc hoc:

(IV.23)
dE = TdS pdV
Mat khac, ta co cong thc tnh o bien thien cua ham:
E = E(S,V)
theo hai bien oc lap S va V la
E
E
dE = dS +
dV
V S
S V

Nh vay:

E
E
T = , va p =
.
S V
V S
III.B.3 Cac ham nhiet ong lc
Ta xet trng hp khi (S,p) la hai bien oc lap. V
d( pV) = pdV + Vdp ,
nen
dE = TdS d( pV) + Vdp
d( E + pV) = TdS + Vdp .
Ta at
H = E + pV

(IV.24)

la entalpi cua he. Nh vay

dH = TdS + Vdp .
Mat khac, v H = H(S,p), nen
H
H
dH =
dp .
dS +
S p
p S
Vay
H
H
T=
.
, va V =
S p
p S

Bay gi ta xet trng hp (T,V) la cac bien oc lap. V

d ( TS ) = TdS + SdT ,
nen :
dE = d ( TS ) SdT pdV
d ( E TS ) = SdT pdV .
Neu ta at
(IV.25)
F = E TS

la nang lng t do cua he, ta co

d( F) = SdT pdV .
Nhng v F la ham theo cac bien (T,V):
F
F
dF =
dT +
dV ,
T V
V T
nen ta co:

 F
F
S = , va p =
.
V T
T V
Cuoi cung, ta xet trng hp cac bien oc lap la (T,p):
dE = TdS pdV = d(TS) SdT d( pV) + Vdp .
d( E TS + pV) = SdT + Vdp .
Vi nang lung t do Gibbs c nh ngha la:
,
(IV.26)
G,= E TS + pV

ta co

dG = SdT + Vdp .
Va v G = G(T,p), ta suy ra c
G
G
S =
.
, va V =
T p
p T

IV.B.4 Cac he so nhiet

Neu ta nh ngha he so n the tch ang ap:
1 V
=
,
V T p
va he so nen ang nhiet
1 V
=
,
V p T

(IV.27)

(IV.28)

ta co the chng minh c bieu thc lien he gia nhiet dung ang ap Cp va nhiet dung ang tch CV
nh sau:
2
C p C V = VT
.
(IV.29)

IV.C Khao sat nhiet ong lc he kh l tng co ien

IV.C.1 Khai niem

Kh l tng la he gom N phan t ong nhat, oc lap (tc la the nang tng tac gia cac phan t la
khong ang ke so vi tong nang lng cua chuyen ong tnh tien va noi nang cua moi phan t). Khi
he kh nay c khao sat bi c hoc thong ke co ien, ta co he kh l tng co ien (hay con c goi
la he kh l tng khong suy bien). Ta se khao sat cac kh l tng lng t trong cac chng cuoi. Chu
y rang cac phan t nay co the la n nguyen t (trng hp cac kh hiem nh He, Ne, Ar, ) hoac hai
nguyen t (trng hp cac kh H2, N2, HCl, ), hoac ba nguyen t (trng hp cac kh CO2, H2O, ),

Neu cac phan t la a nguyen t, noi nang cua moi phan t phai gom nang lng chuyen ong
quay va nang lng chuyen ong dao ong.
e cac phan t co the xem la oc lap nhau, khoang cach trung bnh gia cac phan t phai u ln,
tc la he kh phai u loang.

IV.C.2 Khao sat thong ke co ien

Trong phep tnh gan ung co ien, so trang thai vi mo kha d (E) e he co nang lng trong
khoang (E, E+dE) se t le vi the tch pha trong khong gian pha tng ng vi nang lng trong
khoang (E, E+dE):
E + dE
r r
r
( E ) d r1d r2 ...d rN .dQ 1dQ 2 ...dQ N .dP1dP2 ...dPN
E

trong o, dQi, dPi la cac o bien thien cua toa o va cua ong lng tng ng vi chuyen ong noi
phan t khi phan t khong phai la n nguyen t.
V ta co:
r
d ri = V
la the tch cua bnh cha kh nen
( E ) V N ( E ) ,
vi:
E + dE
r r
r
( E) = dp1dp 2 ...dp N .dQ1dQ 2 ...dQ N .dP1dP2 ...dPN
E

oc lap oi vi the tch V.

Vay:
ln ( E) = N ln V + ln ( E) + ln C ,
vi C la hang so t le.
T cong thc tnh ap suat p lien ket vi tham so ngoai la the tch V:
1 ln
,
p=
V
ta co
1N
.
p=
V
Ta suy ra phng trnh trang thai cua kh l tng:
(IV.30a)
pV = NkT
oi vi mot mol kh l tng, N = NA la hang so Avogadro, ta co:
pV = N A kT
(IV.30b)
pV = RT
trong o, R la hang so chat kh, c tnh:
R = 8,31 J/K .

Ta cung co the viet phng trnh trang thai di dang:

pV = RT ,
vi la so mol kh cua he.

IV.C.3 Cac nh luat thc nghiem cua kh l tng

T phng trnh trang thai tren, ta co the tm lai c cac nh luat xay dng t thc nghiem oi
vi nhng kh thc u loang:
nh luat Boyle-Mariotte: nhiet o khong oi, tch so gia ap suat va the tch la hang so: pV =
const.
nh luat Gay-Lussac: ap suat khong oi, the tch chiem bi mot khoi kh nhat nh t le thuan
vi nhiet o: V T.
nh luat Charles: the tch khong oi, ap suat cua mot khoi kh t le thuan vi nhiet o: p T.
nh luat Dalton: Xet mot hon hp gom hai chat kh l tngtrong mot the tch V, nhiet o T.
Ta co the viet cho moi chat kh:
p1V = 1RT va p 2 V = 2 RT .
Khi tng tac gia cac phan t co the bo qua, hon hp kh cung tao nen mot he kh l tng nen
pV = (1 + 2 )RT .
T o
p
RT p1 p 2 p1 + p 2
=
=
=
=
.
V 1 2 1 + 2 1 + 2
Vay:

p = p1 + p 2 .

Tc la ap suat cua moi hon hp kh la tong cua cac ap suat rieng phan.

IV.C.4 Noi nang cua kh ly tng

Theo cong thc (IV.26): ( E) = CV N ( E) , va t cong thc: =
ln ( E )
.
E
Tc la la ham ch cua nang lng E:
=

ln
, ta co
E

(IV.31)

(IV.32)
= ( E )
hoac ngc lai, ta co nang lng E la ham cua nhiet o T:
(IV.33)
E = E(T ) .
e co bieu thc ro hn ve s phu thuoc cua nang lng E oi vi nhiet o T cua he, ta nh lai
rang trong chng I, ta a thiet lap bieu thc (I.7b) cho kh l tng n nguyen t (khong tnh en
chuyen ong noi phan t).
( E ) = AV N E 3N 2 .
Khi nay
ln 3N 1
,
=
=
E
2 E
hay
3
(IV.34)
E = NkT .
2
Ta co the lien he en nh l phan bo eu e tm lai bieu thc tren, v moi phan t co ba bac t do
3
cua chuyen ong tnh tien nen nang lng trung bnh phai bang kT . Va v he co N phan t nen ta
2
tm lai c he thc tren.

oi vi kh l tng noi chung, ta co:

E = NkT ,
(IV.35)
3
5
vi = oi vi kh l tng n nguyen t, va = oi vi kh hai nguyen t.
2
2
Khi nay, ta co the chng minh he thc gia nhiet dung ang ap Cp va nhiet dung ang tch CV (he
thc Robert-Mayer):
(IV.36a)
C p C V = Nk
hoac oi vi mot mol kh:
Cp CV = R ,

(IV.36b)

chng to rang hieu so cua Cp va CV la oc lap oi vi nhiet o T.

He thc Robert-Mayer tren la trng hp cu the cua kh l tng cua trng hp tong quat hn
ma ta a thay (cong thc (IV.25) ).

IV.D Ly thuyet ong hoc chat kh

Trong phan nay cua chng, ta se khao sat s phan bo van toc cua cac phan t cua mot he kh l
tng co ien trang thai can bang.
Nen biet rang t nam 1860, vi cac nhan xet tong quat ve tnh oi xng, Maxwell a kham pha ra
nh luat phan bo van toc cua cac phan t kh l tng trang thai can bang. en nam 1872,
Boltzmann a at gia thiet rang cac tan xa cua cac phan t khong anh hng en s phan bo can bang
va a chng minh c nh luat tren. ay, ta khao sat s phan bo van toc nay nh mot ket qua trc
tiep cua phan bo chnh tac.
Cung can hieu rang nh luat nay co the ap dung cho tat ca cac lu chat co ien, kh thc hay la
chat long.

IV.D.1 Phan bo Gauss cua van toc

Xet mot lu chat gom N phan t ong nhat co khoi lung m, chiem the tch V va can bang nhiet
vi mot he ieu nhiet co nhiet o T. Gia s rang chuyen ong cua cac phan t cua he co the c mo
ta bi c hoc co ien.
r
r
Khi o, moi trang thai vi mo cua he c ac trng bi cac v tr ri va cac van toc v i cua cac
phan t. Nang lng cua he c tnh
N 1 r
r r
r r r
r r
r
r
E( ri , r2 ,..., rN , v 1 , v 2 ,..., v N ) = mv i + U (ri , r2 ,..., rN ) , (IV.37)
i =1 2
r r
r
trong o U ( ri , r2 ,..., rN ) la the nang tng tac gia cac hat (va cung la vi trng lc ngoai).
Trong khong gian pha 6N chieu, phan bo chnh tac cho ta tnh xac suat tm thay he trong mot the
tch pha nguyen to quanh iem pha bieu dien trang thai tren la
N 1 r
r r
r r r
r
dP( ri , r2 ,..., rN , v 1 , v 2 ,..., v N ) = A exp[ mv i2 +
(IV.38)
i =1 2
r r
r
r r
r r r
r
+ U ( ri , r2 ,..., rN )] .d ri d r2 ...d rN dv 1dv 2 ...dv N
r
Lay tch phan bieu thc tren theo tat ca cac gia tr cua ri cua N phan t, ta tnh c xac suat e
r r
r
cac phan t co van toc trong khoang ( ri , ri + d ri ) la
N 1 r r r

r r
r
r
dP( v 1 , v 2 ,..., v N ) = B exp mv i2 dv 1dv 2 ...dv N .
i =1 2

(IV.39)

Lai lay tch phan theo van toc cua tat ca cac phan t tr phan t ta xet, ta co xac suat e phan t
r r
r
nay co van toc trong khoang ( v i , v i + d v i ):
r

r
mv 2
dP( v ) = C exp
.
2

Hang so C c tnh t ieu kien chuan hoa:

m
C=

32

Tc la

mvr 2
(IV.40)
exp
.
2kT
r
r
r r
Vay, so phan t dN ( v ) cua he co van toc trong khoang ( v i , v i + d v i ) c tnh:
r
r
dN ( v ) = NdP ( v )
r m
dP( v ) =

2kT

r
m
dN( v) = N

2kT

32

32

m( v 2x + v 2y + v 2z )
.dv x dv y dv z (IV.41)
exp
2kT

Cong thc tren bieu th nh luat phan bo Maxwell cua van toc.
So phan t dN ( v x ) cua he co thanh phan cua van toc theo truc Ox trong khoang
( v x , v x + dv x ) co c bang cach tch phan bieu thc (IV.41) theo v y va v z :
mv 2x
m
dv
(IV.42)
exp
2 kT x
2 kT

dN ( v x )
la mot phan bo Gauss oi xng quanh v x = 0 . Ta co
ng bieu dien cua ham: 1 ( v x ) =
Ndv x
dN ( v x ) = N

cac ket qua sau cho gia tr trung bnh v x va o thang giang = (v x ) 2 :
vx = 0

(IV.43a)

kT
.
(IV.43b)
m
Chu y rang ket qua (IV.43b) tren hoan toan phu hp vi nh l phan bo eu cho nang lng:
1
1
E x = mv 2x = kT .
(IV.44)
2
2
Tren hnh ve, ta co ng bieu dien cua 1 ( x ) cho kh O2 100 K va 400 K.
= ( v x ) 2 = v 2x =

IV.D.2 Phan bo thong ke cua o ln cua van toc

T phng trnh (IV.41), ta co the viet trong toa o cau cua van toc:
3/ 2
mv 2 2
r
m
dN ( v ) = N
exp
v sin dvdd .
2kT
2 kT
Khi lay tch phan theo tat ca moi phng: ( 0, ), va ( 0, ), ta co c ham phan bo
dN(v) phan t co o ln van toc trong khoang (v, v+dv):
3/ 2
mv 2
m
2
dN ( v ) = N
(IV.45)
4v exp
dv .
2kT
2kT
dN ( v )
. o la ham phan bo Maxwell cho
Tren hnh ve, ta co ng bieu dien cua ham 2 ( v ) =
Ndv
kh O2 cac nhiet o 100K va 400K. Ta co the kiem chng rang ng bieu dien at gia tr cc ai
8m / kT
2 kT
khi o ln cua van toc co gia tr v m =
.
bang
e
m
Ta cung tnh c cac gia tr trung bnh cua v va cua v2:
1
2kT
v = vdN( v ) = 2
,
(IV.46a)
N0
m
v2 =

3kT
1 2
.
v dN ( v ) =

m
N0

(IV.47b)

So sanh (IV.47b) vi (IV.43b), ta nhan xet rang

v 2 = 3v 2x .
ieu nay hoan toan ng nhien, v ta co:
v 2 = v 2x + v 2y + v 2z ,

va tat ca cac phng cua khong gian eu tng ng nhau (ang hng).

Cac ket qua ly thuyet tren cua phan bo Maxwell a c oi chng vi thc nghiem, chang han
bang phng phap o be rong Doppler cua vach quang pho phat xa bi cac phan t cua mot chat kh
(v moi phan t luon chuyen ong nen khi phan t phat ra vach quang pho co tan so 0, ta lai quan sat
c vach pho co tan so do hieu ng Doppler Xem lai cac giao trnh c hoc ai cng).

BAI TAP

BT IV.1 Chng minh rang khi mot he S tng tac nhiet va tng tac c vi mot he S sao cho ch co the tch
V cua he S thay oi, ta se co cong thc tnh o bien thien cua nang lng
dE = TdS pdV .
BT IV.2 1) Hay chng minh he thc (IV.29): C p C V = VT
2) Hay chng minh he thc Robert-Mayer (IV.36a):

2
.

C p C V = Nk

cho he kh l tng.
BT IV.3 Hay chng minh he thc sau cho he nhiet ong lc (p, V, T):

T p V
.
.
= 1 .
p V V T T p
BT IV.4 Xet he kh l tng co noi nang: E = NkT . Chng minh rang :
Cp + 1
=
=
.
CV

c goi la he so Poisson.
BT IV.5 Xet mot khoi khong kh co khoi lng 10 kg c xem nh kh l tng hai nguyen t, thc hien mot
qua trnh nhiet ong hoc khi nhan mot nhiet lung bang 10 kJ va cung cap mot cong bang 8 kJ. ong
thi, trong khi thc hien mot qua trnh, van toc cua khoi kh nay thay oi t 5 m/s en 15 m/s.
Hay tnh o bien thien nhiet o cua khoi kh.
BT IV.6 Mot khoi kh l tng n nguyen t c gi ap suat bang 1,2 bar va nhiet o 300K trong mot
bnh cha hnh tru co the tch ban au la : Vi = 1 l , nh mot khoi lng M at tren mot piston co khoi
lng m = 1 kg. Piston co o cao ban au la hi = 50 cm. Khi lay M i, khoi kh gian n theo mot qua
trnh chuan tnh cho en khi ap suat va the tch trang thai can bang lan lt la pf va Vf. Biet rang ap
suat p0 = 1 bar la ap suat kh quyen.
1) Hay tnh khoi lng M va ap suat pf trang thai cuoi.
2) Tnh cac t so Vf/Vi va Tf/Ti. Tf va Ti la nhiet o luc sau va nhiet o luc au cua khoi kh.
Suy ra cong nhan c bi he kh.

VAN E IV.A

Khao sat nhiet ong lc cua mot ngoi sao

Qua trnh co rut hap dan (gravitational contraction).
Lc hap dan la nguyen nhan cua s co rut cua mot ngoi sao. Sau ay, ta se khao sat s bien thien cua
khoi lng rieng, ap suat, va nhiet o cua ngoi sao trong qua trnh co rut nay. Ta gia s qua trnh la chuan tnh.
Goi ( t ) la tha so co rut c nh ngha bi:

R ( t ) = R 0 ( t ) ,
vi R0 la ban knh tai thi iem t = 0, va R la ban knh tai thi iem t.
Goi u =

r
la khoang cach rut gon en tam, vi r la ban knh cua ngoi sao. Khoi lng rieng cua ngoi
R

sao tai thi iem t c tnh:

( t, u ) =

3M
4 R 3

f (u) ,

va tai thi iem ban au:

(0, u ) =

3M
4R 30

f (u) .

Goi hang so van vat hap dan la G.

1) Tnh ( t, u ) theo (0, u ) va ( t ) .
2) S dung s can bang cua ap suat va lc cua trng hap dan, t nh l Gauss-Ostrogradski, hay viet
bieu thc cua ap suat p( t, u ) theo p(0, u ) va ( t ) . Gia s rang ap suat hoan toan la do lc hap dan.
3) Tnh nhiet o T ( t, u ) theo T (0, u ) va ( t ) . Gia s rang ngoi sao c tao bi mot chat kh ma ta
xem nh la kh l tng.

VAN E IV.B

Chu trnh Carnot vi tac nhan la kh ly tng (KLT). Bieu thc cua entropi nhiet ong lc va nguyen
ly II cua NLH
p
1
Mot ong c nhiet (la may bien nhiet thanh cong) ma tac nhan la
KLT, thc hien chu trnh Carnot (12341) gia mot nguon nong (nhiet
o T1 ) va mot nguon lanh (nhiet o T2 < T1 ), gom hai qua trnh
ang nhiet thuan nghch (1,2) va (3, 4) va hai qua trnh oan nhiet
thuan
nghch (2, 3) va (4, 1). Chu
H.IV.3
trnh nay c trnh bay tren o th (V, p) nh hnh ve.

(T1)

4
(T2)

V1
V2 V3
Q1 + Q 2
vi Q1 : nhiet lng ma tac nhan nhan vao t nguon
Q1
nong va Q 2 : nhiet lng ma tac nhan nha cho nguon lanh (vay theo qui c, Q1 < 0 va Q 2 > 0 ).
Hieu suat cua ong c c nh ngha: =

1/ Xet hai qua trnh (1, 2) va (3, 4). Dung phng trnh trang thai cua KLT va bieu thc cua cong
nguyen to W = -pdV e chng minh rang:

Q1 = NkT1 ln

V2
V
va Q 2 = NkT2 ln 4 ,
V1
V3

vi N la so phan t kh va k la hang so Boltzmann. Suy ra bieu thc cua theo T1 , T2 va cac the tch V1 ,

V2 , V3 va V4 . Nhan xet ve gia tr cua .

2/ Biet rang noi nang U cua KLT ch phu thuoc theo nhiet o T theo he thc U = NkT (*) vi la
mot tham so phu thuoc vao tnh chat cua phan t kh, chng to rang nhiet dung ang tch C v va nhiet dung
ang ap C p cua KLT la khong phu thuoc vao nhiet o. Tm lai he thc Robert-Mayer: C p C v = Nk va
cong thc cua he so Poisson: =

Cp
Cv

=1+

1
.

3/ Bang cach so sanh o bien thien nguyen to cua noi nang dU tnh theo he thc (*) va theo nguyen ly I
cua NLH: dU = Q pdV , hay chng minh rang trong mot qua trnh oan nhiet, VT = const . T o,
chng to la hieu suat cua chu trnh Carnot la ch phu thuoc vao nhiet o T1 , T2 cua hai nguon nhiet. Suy ra
rang:

Q1 Q 2
+
= 0.
T1 T2
4/ Xet mot chu trnh thuan nghch bat ky. Bang cach phan chu trnh nay ra lam vo so nhng chu trnh

Carnot thuan nghch, chng minh rang

cua ng lay tch phan. Nh vay,

Q
T = 0 . Suy ra la tch phan ng

Q
khong phu thuoc vao dang
T
A

Q
phai la vi phan toan phan cua mot ham so. o la ham nhiet ong lc
T

nao? Xet mot qua trnh bat thuan nghch e rut ra bieu thc vi phan cua nguyen ly II cua NLH.

VAN E IV.C
nh thc Jacobien. He thc Robert-Mayer
trong trng hp tong quat
I/ nh thc Jacobien. Gia s u(x, y) va v(x, y) la cac ham kha vi trong mot vung. Jacobien cua u va v
oi vi x, y la nh thc ham bac hai c nh ngha bi:

u
( u, v ) x
=
( x, y) v
x

u
y
.
v
y

Hay chng thc nhng bieu thc sau:

(v, u)
(u, v)
=
(x, y)
(x, y)
(u, y) u
=
(x, y) x y
(u, v) (u, v) (t,s)
=
(x, y) (t,s) (x, y)

II/ ng dung trong phep tnh vi phan cac ham nhiet ong lc
1/ T bieu thc vi phan cua the nhiet ong Gibbs:
d = Vdp SdT, hay chng minh:

S
V
=
.
T p
p T

2/ T cac cong thc nh ngha nhiet dung ang tch CV va nhiet dung ang ap Cp,, hay dung cac tnh
chat cua Jacobien e tnh CV theo Cp va cac bieu thc vi phan cua S va V theo cac bien so oc lap (T, p). Suy
ra cong thc tnh CV khi a biet Cp.
Tm lai he thc Robert-Mayer oi vi kh ly tng.
3/ a/ Biet rang trong qua trnh chuan tnh, entropi cua he nhiet ong la khong oi, t bie thc vi phan
cua nang lng t do Helmholtz dF, hay chng minh:

Tm lai he thc:

S
p

= .
V T T V

T p
T
.

=
.
C V T V
V S
b/ Tm lai he thc:

C V
V
,

= V
p S C p p T
V
la o nen trong qua trnh chuan tnh.
p S

trong o,

VAN E IV.D

S tien hoa cua mot ngoi sao

Trong van e nay, ta se khao sat s hnh thanh cua mot ngoi sao. Gia s rang ngoi sao c tao bi mot
chat kh gom N nguyen t hidro co khoi lng mH. Cac ieu kien ve nhiet o va ap suat lam cho hidro ch ton
tai di dang nguyen t hoac ion ma khong tao thanh phan t. Ngoi sao co the nang hap dan la E p ( R 0 ) phu
thuoc ban knh R0 cua ngoi sao:
3 M2 ,
E p (R 0 ) = G
5 R0
vi G la hang so hap dan va M la khoi lng cua ngoi sao: M = NmH .
A/ Dung nh l virial e tnh ong nang trung bnh cua cac nguyen t trong sao nay. Gia s rang chat
kh c xem nh la kh l tng gom nhng nguyen t trung hoa ve ien. Suy ra nhiet o cua khoi kh.
B/ Khi ong nang trong chat kh at en mot gia tr nao o, cac va cham gia cac nguyen t gay ra s
ion hoa cac nguyen t hidro va ngoi sao dan dan tr thanh mot khoi kh gom nhng hat mang ien (proton va
electron) ma ta goi la plasma. e n gian van e, ta chap nhan rang hien tng tren bat au xay ra khi ong
nang trung bnh cua moi nguyen t bang

1
nang lng ion hoa nguyen t hidro: E i = 13,6 eV .
2

1/ Hay tnh nhiet o phan hoa tng ng. Suy ra ban knh ti han Rp cua ngoi sao ( di gii han Rp
nay, plasma bat au hnh thanh). Tnh Rp trong trng hp ngoi sao nay la Mat Tri (M = 2.1030 kg).
2/ Gia s rang ngay khi khoi plasma a hoan toan b ion hoa, ta van co the xem khoi kh nay la kh l
tng. Hay tnh nhiet o T cua he theo ban knh R0.
3/ Biet rang khi nhiet o cua khoi kh nho hn nhiet o ti han Tc = 2.106 K, cac phan ng nhiet hat
nhan gia cac proton c phat sinh trong plasma. Hay tnh ban knh ti han Rc tng ng cua ngoi sao. Tnh
gia tr so neu M = 2.1030 kg.
Biet rang ban knh cua Mat Tri la R0 = 0,7.109 m. Hay chng minh rang cac phep tnh tren tuy rang
n gian nhng cung cho ta hieu c lam the nao ngoi sao nay phat sang.

Chng V

PHAN BO CHNH TAC LN.

CAC THONG KE LNG T
V.A
V.B
V.C
V.D

Phan bo chnh tac ln

Phan bo chnh tac ln gii han nhiet ong lc
He hat ong nhat, oc lap, va khong phan biet c
Cac phan bo lng t

V.A Phan bo chnh tac ln

V.A.1 Khai niem he tr hat

Xet mot he S gom nhng hat ong nhat va la he m, ngha la co the trao oi t do cac hat vi mot
he rat ln R gom nhng hat giong nh nhng hat cau tao nen S . Tat ca cac hat eu khong phan biet
c (tc la neu mot hat cua he S c thay the bang mot hat cua he R th trang thai cua S khong
thay oi).
Chu y rang s trao oi hat gia hai he S va R cung la qua trnh trao oi nang lng v moi hat eu
mang theo ong nang va the nang, trong khi the nang nay lai phu thuoc so hat.
Ta xet he tong hp S R co lap trang thai can bang, co nang lng la Etc va co so hat tong cong
la Ntc. Goi E, N la nang lng va so hat cua he S , va ER, NR la nang lng va so hat cua he R .
Gia s tng tac gia hai he S va R u yeu e ta co
E tc = E + E R ,
N tc = N + N R ,

vi

E << E R , va N << N R .
Tc la khi trao oi hat (va nang lng), trang thai v mo cua he S thay oi ang ke trong khi trang
thai cua he R hau nh khong thay oi.
Vay, entropi S R thay oi theo cac bien E va N.

Neu nhiet o vi chnh tac TR va the hoa hoc vi chnh tac R cua R oc lap oi vi E va N, ta goi
R la he tr hat (va ong thi la he ieu nhiet) Khi o, ta noi rang S trang thai phan bo chnh tac
ln. Tap hp thong ke cua S c goi la tap hp chnh tac ln.
Khi he S R trang thai can bang, ta nh ngha nhiet o chnh tac ln T cua S va the hoa hoc
chnh tac ln cua S la
T TR ,

R .

(V.2a)

(V.2b)
Khi nay, nhiet o T va the hoa hoc cua S c an nh bi cac gia tr TR va R cua R nen T va
la cac tham so ngoai, trong khi nang lng E va so hat N cua S la bien so noi.
(So sanh vi phan bo vi chnh tac, E, N, V, la cac tham so ngoai, va phan bo chnh tac, cac
tham so ngoai la T, N, V, va bien so noi la E).

V.A.2 Tha so Boltzmann

Goi Pl la xac suat e he S trang thai vi mo ( l ), co nang lng la E l va so hat la N l . Khi nay,

he R phai co nang lng: E L = E tc E l va co so hat: N L = N tc N l .

V he tong hp S R co lap trang thai can bang nen ta co the ap dung tien e c ban cua c hoc
thong ke cho he nay.
Neu goi R ( E R , N R ) = R ( E tc E l , N tc N l ) la so trang thai vi mo kha d cua R tng ng

vi trang thai ( l ) cua S , ta co xac suat e S trang thai ( l ) la

( E E l , N tc N l )
Pl = R tc
= C. R ( E tc E l , N tc N l ) , (V.3)
tc
1
vi C =
= const , v tc la so trang thai vi mo cua S R khong oi.
tc
Nhng v
SR = k ln R

S
R = exp R
k

nen
1

(V.4)
Pl = C. exp S R ( E tc E R , N tc N R ) .
k

Ta dung cong thc khai trien Taylor cua ham hai bien SR quanh iem ( E tc , N tc ) :
SR ( E tc E R , N tc N R ) = SR ( E tc , N tc ) E l
Nl

S R
E R
SR
N R

E tc , N tc

.
E tc , N tc

(Ta bo qua cac so hang tiep theo do gia thiet phan bo chnh tac ln).
Nhng v theo nh ngha nhiet o va the hoa hoc chnh tac ln T va (theo (IV.2a va b)):
SR
1
1
=
= ,

E R TR T

S R

= R = ,

T
N R
TR
nen:

E l N l
+
.
T
T
V SR ( E tc , N tc ) = const , nen cong thc (V.4) c viet:
S R ( E tc E l , N tc N l ) = S R ( E tc , N tc )

N l
E
,
Pl = C exp l +
T
T

vi C = const.
Vay, ta co the at

Pl =
vi

e (E l N l )

(V.5)

Z = e (E l N l )

(l)

(V.6)

do ieu kien chuan hoa cua Pl .

Khi nay, Pl la xac suat cua phan bo chnh tac ln, Z la ham tong thong ke ln, va e (E l N l ) la

tha so Boltzmann trong phan bo chnh tac ln.

V.A.3 Phan bo thong ke cua mot bien so noi

Goi y la mot bien so noi cua he, y l la gia tr tng ng vi trang thai ( l ) cua he. Phan bo thong

ke chnh tac ln cua bien so nay c tnh bi:

1
P( y) = exp[ (E l N l )]

Z ( l)

(V.7)

Khi he co kch thc v mo va cac ai lng nang lng E, so hat N, va y co the c xem nh
bien thien lien tuc. So trang thai vi mo kha d co nang lng trong khoang (E, E+dE), co so hat trong
khoang (N, N+dN), va co bien so noi trong khoang (y, y+dy) la
( E, N, y)dEdNdy ,
(V.8)
vi ( E, N , y) la mat o trang thai.
Xac suat nguyen to e he co bien so noi co gia tr trong khoang (y, y+dy) la
1
(V.9)
dP( y) = exp[ (E N )].( E, N , y)dEdNdy .

ong thi, neu goi W(y) la mat o xac suat, ta co

dP( y) = W( y )dy .
Vay:
W( y ) =

dN ( E, N , y) exp[ ( E N )]dE (V.10)

E0

(E0 la mc nang lng trang thai c ban).

Nh vay, ham tong thong ke ln c tnh bi cong thc sau:

Z=

dN ( E, N ) exp[ (E N )]dE

(V.11)

E0

V.A.4 Cac ai lng ac trng cua phan bo chnh tac ln

Tng t nh nh ngha cua nang lng t do F t ham tong thong ke Z , ta nh ngha the ln J
nh sau:
J = kT ln Z

N:

(V.12)

Ta co the chng minh c la the ln J la ai lng cong tnh.

T cong thc tong quat tnh gia tr trung bnh cua so hat
N = N l Pl
(l)

ta tnh c trong phan bo chnh tac ln:

N=

N l exp[ (E l N l )] .

Z (l)

Nhng theo cong thc (V.6) nh ngha Z , ta de thay rang

N=

1
(ln Z ) = J

(V.13)

Ta cung tnh c gia tr trung bnh cua nang lng E

theo cong thc

(V.14)
E N = (ln Z ) .

T cong thc nh ngha tong quat cua entropi thong ke: S = k Pl ln Pl , ta co the chng minh
( l)

c vi phan bo chnh tac ln:

S=

1
(E N J )
T

hoac di dang thong dung hn:

J = E N TS

(V.15)

T cong thc nh ngha cua the ln (V.12): J = kT ln Z , ta co the tm lai cong thc:
S=

J
T

(V.16)

Ap suat chnh tac ln cung c nh ngha theo the

ln J tng ng vi tham so ngoai V nh sau:
p=

J
V

(V.17)

V.B Phan bo chnh tac ln gii han nhiet ong lc

Trong chng III, ta a thay gii han nhiet ong lc,

tc la he v mo co kch thc u ln, phan bo vi chnh tac tng
ng vi phan bo chnh tac ln; khi o, cac thang giang thong
ke la khong ang ke.
Cung tng t nh vay, ta co the chng minh rang oi vi he nhiet ong lc, tc la he co kch
thc u ln e cac thang giang thong ke cua so hat la khong ang ke oi vi gia tr cai nhien nhat
Nm cua so hat, ta co the xem nh so hat cua he ch co mot gia tr duy nhat la Nm.
Khi o, cac gia tr cua cac ai lng chnh tac ln la so hat, nang lng, entropi, ap suat, va cua
mot bien so noi nao o se trung vi cac gia tr cua phan bo chnh tac, va ta se goi cac ai lng nay la
cac ai lng nhiet ong lc.
Tom lai, oi vi mot he nhiet ong lc trang thai can bang, moi ai lng ch co mot gia tr duy
nhat, du la he co lap, can bang vi mot he ieu nhiet hay can bang vi mot he tr hat (va nang
lng): ba phng phap mo ta he nhiet ong lc: vi chnh tac, chnh tac, va chnh tac ln la hoan toan
tng ng.

V.C Bieu dien so chiem ong

V.C.1 Ham tong thong ke ln

Ta xet he trang thai vi mo ( l ), co nang lng E l va so hat N l . Moi hat cua he co the trang

thai rieng le (), co nang lng . Moi trang thai ( l ) cua he nh vay c ac trng bi tap hp cac
trang thai () .
( l) ( 1 , 2 ,..., N ) ,
vi i ch ra trang thai rieng le cua hat th i.
Ta goi N la so hat co the co c trang thai () hoac la so chiem ong trang thai ().

V du: oi vi he hat fermion, N ch co the bang khong hoac 1: N = 0, 1 v cac fermion khong

the trong cung mot trang thai lng t. Trong khi o, oi vi he boson, N co the bang mot so
nguyen hay bang 0: N = 0, 1, 2, 3, ... v nhieu boson co the trong cung mot trang thai.
Khi nay, moi trang thai vi mo ma ( l ) co the c mo ta bi tap hp cac so chiem ong N cua

moi trang thai ().

( l) { N } .

Nh vay, ta ng nhien co:

El = N ,

(V.18)

Nl = N .

(V.19)

()

()

Ham tong thong ke ln khi nay c tnh:

Z = exp[ (El N l )]
( l)

exp N ( )
{ N } ()

vi y ngha cua k hieu tong la:

=

{N }

= ... ...
N1 N 2

{N }

Ni

va:

exp N ( ) = exp[ N1 (1 )]. exp[ N 2 ( 2 )]...

()

Vay

Z = e N1 (1 ) . e N 2 ( 2 ) ...
N 1
N 2

at

e N ( )

ta co

Z=

( )

(V.20)

(V.21)

Ham c goi la ham tong thong ke ln cua mot trang thai rieng le ().

V.C.2 Cac ai lng ac trng

The ln J bay gi c tnh:
J = kT ln Z = kT ln

(V.22)

()

Ta co the chng minh c he thc gia so chiem ong trung bnh N cua he va so chiem ong
trung bnh N cua trang thai rieng le ():

N = N ,

(V.23a)

()

vi

(ln ) .
(V.23b)

Nang lng trung bnh cua he c tnh theo nang lng cua moi trang thai rieng le ():
N = kT

E=

(V.24)

()

V.D Cac thong ke lng t

Trong phan nay, ta se xet cac he gom cac hat xet theo
quan iem cua c hoc lng t, tuy theo tnh chat nh x cua
cac hat.

V.D.1 Thong ke Fermi-Dirac

Khi he hat la cac fermion, tc la moi trang thai lng t ch co hoac mot hat hoac khong co hat
nao, ta ch co hai gia tr cua N la 1 va 0. Khi nay, cong thc (V.20) cho:
= e N ( ) = 1 + e ( )
(V.25)

Dung cong thc (V.23b), ta tnh c so chiem ong

trung bnh cua moi trang thai rieng le ():
( )

(ln ) = 1 e ( )
N = kT

1+ e
1
N =
( )

(V.26)
e
+1 .
Phan bo tren c goi la phan bo Fermi-Dirac. V khi nay, va N se lien he qua cong thc
1
=
,
(V.27)
1 N
nen ta se tnh c cac ai lng ac trng cua he cua he theo he thc (V.26).
Ta se khao sat chi tiet hn tnh chat cua he hat fermion
trong mot chng sau.

V.D.2 Thong ke Bose-Einstein

Thong ke nay c s dung cho cac boson; cac so chiem ong N co the co moi gia tr nguyen,
dng hay bang khong. Vay, t he thc (V.20), ta co

e N ( )

N =0

= 1 + e N ( ) + e 2N ( ) + ...
(V.28)
Tong tren la tong cua mot cap so nhan co so hang au u 1 = 1 , va co cong boi q = e ( ) .
Ta biet rang tong cua mot cap so nhan la hoi tu neu va ch neu q < 1 , tc la
< 0 .
Neu goi 0 la mc nang lng c ban (thap nhat), tc la 0 ; ieu kien tren se c thoa neu
ta co
0 > .

Vay, oi vi mot he boson oc lap, ta ch co trang thai can bang cua he neu the hoa hoc cho bi
he tr hat phai nho hn mc nang lng c ban rieng le.
Mot khi ieu kien tren c thoa, tong (V.28) se hoi tu ve gia tr:
u
1
= 1 =
.
(V.29)
1 q 1 e ( )
Va nh vay, so chiem ong trung bnh cua moi trang
thai rieng le () la:

(ln ) = 1 ln 1 e ( )
N = kT

[ (

1 e ( )
1 e ( )

N =

( )

)]

(V.30a)

Phan bo thong ke tren c goi la thong ke Bose-Einstein. Tnh chat cua phan bo nay c suy ra
t cong thc (V.30a) tren, v ta co:
= 1 + N .
(V.30b)

V.D.3 Thong ke Maxwell-Boltzmann

Xet trng hp so chiem ong trung bnh N cua trang thai () rat nho so vi n v, tc la khi
e ( ) >> 1 .
(V.31)
Vi ieu kien nay, cac thong ke Fermi-Dirac va BoseEinstein eu tien ti cung mot gii han:

N = e ( ) .

(V.32)

Phan bo nay c goi la phan bo Maxwell-Boltzmann.

Khi nay, bieu thc cua ham tong thong ke ln cua moi trang thai () cho thong ke Fermi-Dirac
c tnh t (V.25):
ln = ln[1 + e ( ) ] e ( ) ,

va cho thong ke Bose-Eistein t (V.30):

ln = ln[1 e ( ) ] e ( ) ,
tc la cung mot bieu thc cua cho hai thong ke.
T cong thc (V.21), ta tnh c ham tong thong ke ln cua phan bo Maxwell-Boltzmann:
ln Z = ln = ln = e ( )
()

( )

( )

= e e
( )

Neu ta at:

z = e

(V.33)

( )

la ham tong thong ke cua mot hat, ta co :

ln Z = ze

Z = exp[ ze ] .

(V.34)

Cong thc khai trien Taylor-Mac Laurin cua ham mu cho:

Z=

e N

N =0

zN

(V.35)

N!

Mat khac, ta co the thiet lap he thc gia Z va ham tong thong ke chnh tac Z bang cach phan tch

tong theo cac trang thai ( l ) trong bieu thc tnh Z ra lam tong cua cac so hang co mot gia tr N xac
nh va tong tren cac gia tr cua N

Z = e (E l N l ) =
(l)

e (E l N l )

N = 0 ( l ):N l = N

e (E l N ) = e N e El .

N = 0 ( l ):N l = N

N =0

( l ):N l = N

e El chnh la ham tong thong ke Z cua phan bo chnh tac vi so chiem ong

Ta thay rang

( l ):N l = N

N l xac nh. Vay:

Z=

e N Z

(V.36)

N =0

So sanh (V.35) va (V.36), ta co bieu thc

Z=

1 N
z
N!

(V.37)

cho ham tong thong ke cua phan bo chnh tac gii han Maxwell-Boltzmann. Trong o, z la ham tong
thong ke chnh tac co ien cho mot hat. Trong van e III.A, ta a thay rang

z=
va

Z=

V
h3

(2 mkT )3 2 ,

VN
3

h N!

(2 mkT )3 N / 2 .

(V.38)

(V.39)

V a c tnh theo phep gan ung co ien nen thong ke Maxwell-Boltzmann phai c xem nh
la gii han chung co ien cho cac thong ke lng t Fermi-Dirac va Bose-Einstein.
ieu kien ap dung thong ke Maxwell-Boltzmann
Trong trng hp tong quat, khi phai tnh en bac t do spin cua hat, ham tong thong ke cho mot
hat phai c nhan len them mot tha so (2s+1), vi s la spin cua hat, v vi bac t do nay, mc nang
lng suy bien 2s+1 lan ( m s = 0, 1, 2, ..., s ). Tc la ta co

z = ( 2s + 1)

V
h

( 2 mkT ) 3 / 2

(V.40)

Nh lai rang bc song de Broglie lien ket vi hat co

ong lng P qua cong thc
h
(V.41)
= ,
P
va ong thi, nang lng chuyen ong nhiet co o ln vao khoang kT , nen
P2
= kT .
2m
Vay, ta co the nh ngha bc song nhiet de Broglie nh sau

(V.42)

2 mkT

(tc la la bc song lien ket vi hat co nang lng chuyen ong nhiet).
Vi nh ngha tren cua , ta co:

z = (2s + 1)

V
3

(V.43)

Theo phan bo Maxwell-Boltzmann, ta co

J
(V.44)
= kT
N=
ln Z = ze

theo he thc (V.34).

Vay, ieu kien (V.31) e s dung thong ke nay tr thanh
e
e >> e z
>> 1
N
V > 0, ta lai co:
e 0 z >> N .
(0 la mc nang lng c ban cua he).
Vi he co N u ln, ta co the thay N bang N:

ze 0 >> N .

(V.45)

ong thi, thay bieu thc cua z (V.40) vao (V.45), ta co:
e 0 / kT (2mkT)3 2

N
(V.46)
V
h
Ta thay rang ieu kien (V.46) tren e thong ke Maxwell-Boltzmann co the c ap dung la neu
nhiet o va the tch xac nh, so hat khong c qua ln (mat o hat u nho), va neu the tch va so
hat xac nh, th nhiet o cua he phai u ln.
(2s + 1)

>>

Ta cung co the bieu th ieu kien ap dung thong ke Maxwell-Boltzmann bang cach dung he thc
(V.43) cho (V.45)

(2s + 1)
hay

e 0 / kT
3

.e 0 / kT >> N

V
<<
N
1/ 3

1/ 3

(2s + 1)1 / 3

(V.47)

(V.48)

V
Ta thay chnh la khoang cach trung bnh gia hai hat, trong khi bc song nhiet de Broglie
N
ac trng cho khoang cach o cac hieu ng lng t c bieu th. Theo (V.48), ai lng sau nay
phai rat nho so vi khoang cach trung bnh gia hai hat cua he. noi cach khac, thong ke gan ung
Maxwell-Boltzmann co gia tr cho trng hp chuyen ong cua hat c khao sat bi c hoc co ien.

BAI TAP
BT V.1 1) Dung cong thc nh ngha cua so hat trung bnh : N = N l Pl va tha so Boltzmann trong phan
bo chnh tac ln e chng minh rang

( l)

N = kT
(ln Z) =
(ln Z)

trong o, Z la ham tong thong ke ln.
Suy ra rang

J
,

vi J = kT ln Z la the ln.
N=

2) T ket qua cau 1), hay chng minh bieu thc sau cho nang lng trung bnh:

E = N

(ln Z)

va

(ln Z) .

1
BT V.2 T cong thc N =
(ln Z) , nhan xet rang N co c bang cach tac dung toan t vi phan tuyen

1
tnh:
len ham ln Z . T o, hay tnh (N ) 2 .

E=

BT V.3 T cong thc nh ngha cua entropi thong ke, chng minh rang oi vi phan bo chnh tac ln, ta co he
thc sau
J = E N TS .
BT V.4 T cong thc nh ngha cua the ln J, hay chng minh rang entropi chnh tac ln c tnh

S=

J
.
T

BT V.5 Chng minh rang the ln J la ai lng cong tnh.

BT V.6 1) Chng minh rang neu goi N , N lan lt la so chiem ong trung bnh cua he va so chiem ong trung
bnh cua trang thai rieng le (), ta co
N = N ,
( )

vi

ln .

2) Va neu goi E va lan lt la nang lng trung bnh va nang lng cua trang thai rieng le (),
N = kT

chng minh rang ta co

E = N .
( )

BT V.7 Dung cong thc khai trien Taylor e chng minh rang phan bo Maxwell-Boltzmann trung gian gia
cac phan bo Fermi-Dirac va phan bo Bose-Einstein, ma cac phan bo sau tien en phan bo gan ung co
ien Maxwell-Boltzmann t cac gia tr nho hn (oi vi fermion) va t cac gia tr ln hn (oi vi cac
boson).
BT V.8 Hien tng hap phu

(Ghi chu: Khi mot chat kh tiep xuc vi mot chat ran, cac phan t chat kh co the b hut va b dnh
bay tren be mat chat ran. V du: phan t N2 oi vi mica, phan t H2 tren be mat platine. o la hien tng hap
phu).

R
A
A

S
Huyet cau to (co chc nang di chuyen phan t O2 va CO2 t phoi cho nhng te bao trong c the) la mot
protein trong mau, co kha nang hap thu O2 trong ong mach. Goi nang lng hap phu la -0 va the hoa hoc la .
Gia s tren be mat huyet cau to co A bay.
1) Tnh ham tong trang thai ln cua mot phan t O2 b hap phu hay khong tren be mat mot huyet cau to.
2) Tnh so trung bnh cua cac phan t O2 b hap phu. nhiet o 300K, t so phan t hap phu la 0,75.
Hay tnh gia tr cua 0 + theo n v eV. Suy ra nang lng trung bnh E .

VAN E V.A

Mo ta chnh tac ln cua kh ly tng n nguyen t

cac chng II va III, ta a s dung cac phan bo vi chnh tac va phan bo chnh tac e xet cac tnh chat
cua he kh l tng co ien n nguyen t va a tm c phng trnh trang thai f(p, V, T) cua he kh nay.
Trong van e nay, ta se dung phan bo chnh tac ln e khao sat he kh l tng n nguyen t. V gii
han co ien nen ng nhien ta phaii xet trng hp gii han nay cua cac thong ke lng t, o la gii han
thong ke Maxwell-Boltzmann.
Gia s rang ieu kien e ap dung thong ke Maxwell-Boltzmann c thoa man ( e ( ) >> 1 ). Biet
V
rang ham tong thong ke cua mot hat khi nay c tnh bi: z = ( 2s + 1)
,
3
1/ 2

2 h 2
=

Khi nay, neu so hat cua he u ln e he at en gii han nhiet ong lc, ta xem nh he khao sat la he
kh l tng co ien n nguyen t.
1) Viet bieu thc tng minh tnh the ln J cua he theo , V, va .
2) Bang cach tnh ap suat chnh tac ln, hay suy ra phng trnh trang thai cua kh l tng.
3) Tm lai cong thc Sakur-Tetrode cho entropi chnh tac ln:
N
5

S = Nk ln ln 3 + ln(2s + 1) .
V
2

4) Chng minh rang vi he kh tren, ta cung se tm lai c cong thc tnh nang lng trung bnh cua
kh l tng co ien n nguyen t:
3
E = NkT .
2

vi

VAN E V.B
Thong ke Maxwell-Boltzmann va tnh chat nhiet ong lc cua he cac phan t hai mc nang
lng
I/ Ta xet mot he S gom mot so N rat ln cac phan t co the xem nh cac hat ong nhat, oc lap va
khong phan biet c. Goi la the hoa hoc cua he.
1/ T cac cong thc tnh so hat trung bnh N cua thong ke Fermi-Dirac (F-E) va cua thong ke BoseEinstein (B-E) trang thai , vi la nang lng tng ng, hay tm ieu kien e ta co c thong ke
Maxwell-Boltzmann (M-B). Viet bieu thc cua N cua thong ke nay.
2/ Viet lai bieu thc cua N i cho cac thong ke F-D va B-E mc nang lng i khi cac mc nang lng
co cung bac suy bien g. Khi o, tm ieu kien e co cong thc sau cho thong ke M-B:

N i = g exp[( i )] (1)

Trong phan con lai cua bai toan, ta se s dung phan bo M-B ac trng bi cong thc (1) tren.
II/ Xet trng hp cac hat cua he S co the chiem mot trong hai mc nang lng 1 va 2 vi cung bac
suy bien g va 1 < 2 . Ta at = 2 1 (xem hnh ve).
1/ Viet cong thc tnh so hat trung bnh N1 va N 2 moi mc nang
lng. T o, vi ieu kien bao toan so hat N1 + N 2 = N , suy ra rang

N
vi Z la ham tong thong ke cua hai mc nang lng. Viet bieu
exp( ) =
Z

2
1

thc cua Z.

N
N exp( )
va N 2 =
.
1 + exp( )
1 + exp( )
Tnh theo xac suat p1 va p 2 e moi phan t cac mc nang lng 1 va 2 . Kiem chng lai ieu
kien chuan hoa cho p1 , p 2 .
2/ Chng minh rang ta co cong thc N1 =

3/ Tnh N1 N 2 theo N va .
Ta nh ngha nhiet o ac trng cua he theo bieu thc

= . Giai thch tai sao co th nguyen

T

cua nhiet o.
Tm cac bieu thc gan ung cua N1 , N 2 va N1 N 2 , ong thi cho biet y ngha vat ly cac trng
hp gii han sau:
a/ T << ,
b/ T >> .

rang:

III/ Trong phan nay, ta xet cac tnh chat nhiet ong lc cua he S noi tren.
1/ Bang cach nhan xet rang noi nang toan phan U cua he bang tong nang lng cua hai mc , suy ra

U = N1 +

N
.
exp( ) + 1

(2)

2/ Tm tai cong thc (2) tren bang cach dung ham tong thong ke Z tm thay cau II/ 1/.
3/ Ve ng bieu dien cua U theo T/ . Nhan xet ve y ngha vat ly cua so hang au tien, N 1 , trong
cong thc (2).
4/ a/ Tnh nhiet dung ang tch C V cua he. Suy ra cong thc sau cua nhiet dung ang tch cho mot mol:

cV =

R ( ) 2
4 ch 2 ( / 2)

vi R la hang so kh ly tng.

ex + ex
.
2
b/ Xet gia tr cua c V trong cac trng hp gii han T << va T >> .

Nhac lai rang chx la ham hyperpol lng giac: chx =

IV/ Ap dung so: Vi N = N A = 6.02 10 23 mol 1 va k = 1.38 10 23 JK 1 la hang so Boltzmann,

va T = 300K, hay tnh cac gia tr N1 , N 2 va N1 N 2 trong hai trng hp ac biet sau:
1/ = 10 5 eV ,
2/ = 1 eV .

Chng VI
THANG GIANG THONG KE HE CAN BANG
VI.A
VI.B
VI.C

Thang giang cua mat o hat

Thang giang cua nang lng
Thang giang cua nhiet o

Ta a thay rang trong mot he vat ly trang thai can bang, trong khi cac gia tr cua cac tham so
ngoai c xac nh t ieu kien ben ngoai, th cac bien so noi cua he lai luon co nhng gia tr chu
nhng bien thien quanh gia tr trung bnh, o la cac thang giang noi tai co nguon goc thong ke. Cac
bien so noi nay that ra la cac bien ngau nhien co nhng thang giang du cho cac tham so ngoai a c
xac nh cho he. Ngoai ra, cung can nh rang ngay ca cac tham so ngoai cung ch c xac nh vi
mot sai so nao o, o bat nh nay chac chan cung co anh hng en cac gia tr cua cac bien so noi .
Noi dung cua chng nay se tap trung thao luan cac hien tng thang giang cua cac bien so noi
cua mot he vat ly can bang, at biet se xet mat o hat, nang lng, va nhiet do cua mot lu chat ong
nhat gom nhng phan t cung loai va co kch thc u ln e co the c xem la he nhiet ong lc.
VI.A Thang giang cua mat o hat
VI.A.1 Thang giang so hat cua mot he nho

Xet mot he S co the tch nho V xac nh trong mot he S . He S co the trao oi nhiet va trao oi hat
vi phan con lai cua S; phan con lai nay ong vai tro he ieu nhiet va he tr hat, ap at cho S nhiet
o T va the hoa hoc .
Nh ta a biet, khi trang thai can bang , xac xuat Pl e S trang thai vi mo ( l) co nang lng

E l va co so hat N l c tnh bi:

1
Pl = exp[ ( E l N l )] ,
Z
trong o, Z la ham tong thong ke ln :
Z = exp[ ( E l N l )] .

(VI.1a)
(VI.1b)

(l)

So hat trung bnh trong the tch V la

kT Z
N = N l Pl =
,
Z
(l )

(VI.2a)

va

N 2 = N 2l Pl =
(l)

( kT) 2 2 Z
.
Z 2

(VI.2b)

Lay ao ham cua bieu thc (VI.2a) theo , ta co:

2

N kT 2 Z kT Z

=
.

Z 2 Z 2

T o, ta co:
N
= N 2 N 2

(VI.3)

(VI.4)

S thang giang cua so hat trong he S c tnh bang bieu thc:

N = N 2 N 2

1/ 2

(VI.5)

1/ 2

N
(VI.6)
N = kT

Ap dung cho he kh ly tng

Nhac lai rang vi kh ly tng n nguyen t, ta
co cong thc (III.53) tnh nang lng t do:
( 2mkT) 3N / 2
F = kTN[ln N + ln V ] kT ln
,
(VI.7)
h 3N
do o the hoa hoc la
F
= kT ln N + f (T )
(VI.8)
=
N
Ta tnh c:
(VI.9)
N = N
va t o, ta tm lai c ket qua la o thang giang tng oi t le nghch vi N1/2:

N
1
=
N
N

(VI.10)

VI.A.2 Thang giang the tch mot he nho

e xet s thang giang cua the tch cua he nho S la mot phan cua he S, ta xac nh so hat cua he S
khong oi va e S tiep xuc nhiet va c vi phan con lai cua S. Phan con lai nay se an nh cho S nhiet
o T va ap suat p; o c goi la tap hp T-p.
Ta co the chng minh c rang xac xuat e Pl e he S, mot khi trang thai can bang, co the tch

trong khoang V va V+dV va co trang thai vi mo ( l) co nang lng E l c tnh bi:

1
dPl = exp[( E l + pV)]dV ,
(VI.11)
Z
vi
Z=

dV exp[( E l + pV)] .
0

(VI.12)

(l)

Thc hien phep tnh tng t nh phan VI.A.1 tren, ta thu

c ket qua sau cho gia tr trung bnh cua bnh phng the
tch:
V=

1 +
kT Z
dV V exp[( E l + pV)] =

Z 0
Z p
( l)

V2 =

1 +
dV V 2

Z 0

exp[( E l + pV)] =
l

(VI.13)

( kT) 2 2 Z
(VI.14)
Z p 2

Lay ao ham cua bieu thc (VI.13) theo p, ta co

V = V 2 V 2

1/ 2

V
= kT

1/ 2

(VI.15)

 Ap dung cho he kh ly tng

T phng trnh trang thai
pV = NkT
(VI.16)
cua kh ly tng, ap dung cong thc (VI.15) cho ta ket qua sau:

V
1
=
V
N

(VI.17)

VI.A.3 Thang giang cuc bo cua mat o

Trong thc te, ngi ta thng chu y en s thang giang thong ke cua mat o hat cuc bo trong the
tch V, c nh ngha bi
N
=
.
(VI.18)
V
Thang giang ai lng co the c tnh bi phng phap cua phan VI.A.1, tc la gi the tch V
xac nh, cho ta ket qua:

N kT N
=
=

N
T ,V
N

1/ 2

(VI.19)

hoac bi phng phap cho so hat N xac nh nh trong phan VI.A.2:

V kT V
=
= 2

V
V p T , N

1/ 2

(VI.20)

Hai ket qua tren dng nhien phai tng ng, v thc te ta co he thc:
N
N 2 V
= 2
(VI.21)

V p T , N
T , V
That vay, mot mat, ta co:
N
2F
=

2
T , V N
mat khac:

2F
p
=

V T , N
V 2

Nhng v nang lng t do F la ai lng cong tnh:

V
F(T, V, N ) = N.f T, ,
N
nen:
F
f
V V
V
= f T,
T, ,
N
N N (V / N ) N
2F V2
2f
=
.
N 2 N 3 ( V / N ) 2
Tng t ta cung co:

(VI.22)
(VI.23)

2F
V 2

2F

1
2f
N ( V / N ) 2

V2 2F

.
N 2 N 2 V 2
So sanh bieu thc tren vi (VI.22) va (VI.23), ta
tm c (VI.21).

VI.B Thang giang cua nang lng

VI.B.1 S tng hp gia nang lng va the tch

e anh gia c nhng thang giang thong ke cua nang lng, ta co the s dung mot trong hai
phng phap: hoac ta xac nh the tch V cua he nho S, la mot phan cua he S, hoac ta cho so hat N co
gia tr nh trc. D nhien la hai phng phap eu dan en cung mot he qua vat ly cho nang lng.
ay, ta se dung phng phap th hai, cho xac nh so hat N. Khi nay, ta co tap hp T-p, va phan
bo thong ke cua cac trang thai vi mo c xac nh bi he thc (VI.11). e tnh c thang giang cua
nang lng E, ng nhien ta se phai xet en moi tng lien gia E va V, xac nh bi:
E.V = ( E E )( V V ) ,
(VI.24)
Ta de dang tm c la
E.V = E.V E.V .
(VI.25)
e co ket qua anh gia moi tng quan tren, ta i tnh gia tr trung bnh cua ai lng V(E+pV):
1 +
V( E + pV) = dV V( E l + pV) exp[ ( E l + pV)] . (VI.26)
Z 0 ( l)

vi Z c tnh bi he thc (VI.12) .

Ta co the thay rang nh vay:
1 1 Z
.
V( E + pV) =
Z p

Mat khac t he thc tnh V (VI.13), ta co

V
1 1 Z
1 Z Z
=
+
.

Z Z 2 p

(VI.27)

(VI.28)

Vay:
V( E + pV) V ( E + pV ) =

V 2 V
kT
.

T p, N

(VI.29)

Va t he thc tnh V a co (VI.15), ta co he thc cho thay s tng quan gia nang lng va the
tch:
V

V
(VI.30)
E.V = kT T
+ p

T p, N
p T , N

VI.B.2 Thang giang nang lng theo Cp

e tnh c thang giang cua nang lng, ta bat au bang cach tnh thang giang cua ai lng E +
pV = H la entalpi cua he. Ta co:
1 +
1 Z
(VI.31)
E + pV = dV ( E l + pV) exp[( E l + pV)] =
Z 0 (l)
Z

va
( E + pV) 2 =

1 +
1 2Z
2
dV
(
E
+
pV
)
exp[

(
E
+
pV
)]
=

l
l
Z 0 ( l )
Z 2

(VI.32)

Nh vay:
1/ 2

1/ 2

( E + pV)
( E + pV)
(VI.33)
H = (E + pV) =
= kT2

Mat khac, nh lai rang nhiet dung ang ap C p co the c tnh bi:
Q = d ( E + pV ) = C p dT .

(That vay, t

(VI.34)

dE = Q + W ,

ta co
Q = dE pdV

v
W = pdV .
Mat khac, ta lai co
Q = dE + pdV ,
nen ta tm c he thc( VI.34) tren. )
Vay:

H = ( E + pV ) = kT 2 C p

1/ 2

(VI.35)

Nhng ong thi , ta co

[ ( E + pV )] 2 = ( E + pV ) 2 ( E + pV ) 2
= ( E) 2 + ( pV ) 2 + 2 p( EV E.V ) , (VI.36)

do nh ngha.
Vay t bieu thc (VI.35) tren va t (VI.15) tnh V, ta suy ra c cong thc e tnh o thang
giang cua nang lng theo nhiet dung ang ap C p :

p 2 V
V
2 p
( E ) 2 = kT 2 C p

T p T , N
T p, N

VI.B.2 Thang giang cua nang lng theo CV

(VI.37)

e co the tnh (E)2 theo nhiet dung rieng ang tch CV thay v theo Cp nh cong thc (VI.37)
tren, ta i tm he thc gia Cp va CV. Muon vay t nhan xet rang cac vi phan cua nang lng va
entalpi co dang tong quat
dE = TdS pdV + dN ,
dH = TdS + Vdp + dN ,
ta suy ra c la
E
S
CV =
T

T
V ,N
T V ,N

(VI.38)

H
S
Cp =
T

p,N
T p , N

(VI.39)

Ta thc hien phep bien oi cua ham S:

S = S(T, p, N ) = S(T, V(T, p, N ), N )

v V la ham cua cac bien T, p va N thong qua phng trnh trang thai. Vay:
S
V
S
S
.
+
=

T
T

T ,N T p,N
V ,N

p,N

Va nh vay, ta thu c he thc Mayer:

V
p
.
C p = C V + T

T p,N T V ,N

(VI.40)

Mat khac, t phng trnh trang thai, ta co

V
V
p
.
=

T
p

p,N

T ,N T V , N

(VI.41)

He thc Mayer tr thanh:

2

V
p
C p = C V

p T , N T V, N

(VI.42)

Cuoi cung ta tnh c (E)2 theo CV bang cach the Cp trong (VI.37) bang he thc tnh Cp
(VI.42):
2

V
V
p
2
2
( E ) = kT C V T
(VI.43)

p T, N T p, N T

Ap dung cho he kh ly tng

Trong trng hp ta xet la he vat ly kh ly tng, t phng trnh trang thai
PV = NkT ,
ta co
E = [ kT 2 C V ]1 / 2 .
(VI.44)

That ra, he thc n gian tren lien quan en ieu hien nhien la thang giang cua nang lng va cua
the tch cua he kh ly tng la khong co tng quan
EV = 0 .
(VI.45)

VI.C Thang giang cua nhiet o

Trong thc te, s thang giang cua nang lng khong c o trc tiep, ma nhiet o la ai lng
c o bang nhiet ke; nang lng trung bnh E va the tch trung bnh V cua he (cung la cac gia tr
cai nhien nhat) co moi quan he vi nhiet o cua he.
V nh vay, nhiet o T cua he S la ham theo E va V nen
T
T
(VI.46)
T = E +
V .
E V
V E
Nhng ta lai co
1
1
T
=
.
=
E V (E / T ) V C V
va do

(VI.47)

1 E
T
T
E
=
=

C V V T, N
V E, N E V, N V T, N
=

1 S
1
p
p =

T
p T
,
C V V T, N
T V, N
C V

nen
T =

1
p
V .
E + pV T
C V
T V, N

(VI.48)

Va nh vay:
(T) 2 = (T) 2 =

1
C2V

2
2 p
2
(
E
p
V)
T

(V)
T

V,N

p
2T
V( E + pV ) . (VI.49)
T V, N

o tng quan gia nhiet o va the tch c anh gia bi:

1
p
2
T.V =
(E + pV)V T (V) , (VI.50)
CV
T V,N

That ra, bang cach thay bieu thc (VI.50) tren bang cac ai lng

V
(V) = ( V) = kT

p T ,N

va

V ( E + pV ) V ( E + p V ) =

1/ 2

V
V
= kT 2

V ,N

ma ta a thay (VI.15) va (VI.29), ta co:

T . V =

kT 2
CV

V
p
+

= 0 . (VI.51)

T p , N T V , N p T , N

(Theo ket qua ta a co (VI.41)).

ieu nay chng to rang thang giang cua nhiet o va cua the tch la khong tng quan.
Mat khac trong he thc (VI.49), ta thay cac gia tr V, (E
+ pV) va V( E + pV) V ( E + pV ) a c tnh (VI.15),
(VI.33), va (VI.29), ta co
( T ) 2 =

p
V
kT 2
p

C
T

p
2

T
T

V , N
V , N p
C V

V
2
.

p p , N

S dung cac bieu thc (VI.41) va (VI.42), ta co c ket qua n gian sau
1/ 2

kT 2
(VI.52)
T =
.
C V
Nh lai rang oi vi he so co so hat N u ln, CV t le vi N, ta lai co c
.
(VI.53)
T
1

T
N

BAI TAP
BT VI.1 Chng minh he thc Mayer (VI.40):

V p
.
C p = C V + T

T p, N T V, N
BT VI.2 Chng minh rang t phng trnh trang thai, ta co he thc
(VI.41):

V
V
p
.
=

T p, N
p T, N T V, N

Chng VII
NG DUNG PHAN BO CHNH TAC
TRONG MOI TRNG ION HOA
VII.A Cac khai niem c ban
VII.B Mo phong trong vat ly thong ke
VII.C Plasma lien ket manh

VII.D Plasma lien ket yeu

Ta se danh noi dung chng nay cho viec khao sat ng dung cua vat ly thong ke noi chung va
phan bo chnh tac noi rieng trong moi trng plasma. ong thi, oc gia cung se c gii thieu e
tiep can vi mot lnh vc co nhng bc tien manh me trong thi gian gan ay, o la viec s dung
may tnh toc o cao trong viec nghien cu mot so van e vat ly, ac biet la vat ly thong ke
VII.A Cac khai niem c ban
VII.A.1 Mo hnh plasma mot thanh phan

Trong chng nay ta ch xet plasma mot thanh phan (OCP_ One Component Plasma), tc la mot he
thong ke gom mot loai nhng ion tch ien dng chuyen ong trong mot "bien" cac hat electron. Nh
vay, tuy cac ion tng tac nhau bi lc Coulomb, nhng toan bo he van on nh v s trung hoa ien do
cac electron.
Ta cung gia s rang he cac ion tren co the c mo ta tng oi chnh xac bi c hoc thong ke co
ien (plasma khong suy bien), va trang thai can bang. Cac qua trnh tai hp gia cac ion va electron
xem nh khong ang ke va nh vay, he plasma tren phan bo chnh tac, co so hat N xac nh, cung
nh the tch V cua bnh cha va nhiet o T cua he ieu nhiet.
Cac plasma thng c phan loai ra lam plasma lien ket manh (strongly coupled plasma) hoac
plasma lien ket yeu (weakly coupled plasma) tuy theo ty so gia the nang tng tac Coulomb vi nang
lng chuyen ong nhiet. e thay ro ieu nay, ngi ta a vao khai niem khoi cau ion nh sau: Xet
mot ion bat ky cua plasma, co ien tch Ze, va tao ra mot khoi cau cha cac ien tch am va ung e
N
la mat o ion cua khoi plasma
trung hoa ien tch dng cua ion tren. Nh vay, neu ta goi =
V
ang xet, ban knh cua khoi cau ion c tnh
1 / 3

4
.
(VII.1)
a=

3
(Tng t vi nh ngha cua khoi cau Wigner-Seitz s dung trong vat ly chat ran).
Trong vat ly plasma, nang lng chuyen ong nhiet trung bnh thng c quy c bang kT.
Tham so tng lien cua plasma c nh ngha:
=

( Ze) 2
akT

(VII.2a)

tc la t so gia nang lng tng tac Coulomb trung bnh vi nang lng chuyen ong nhiet trung
bnh.

Ta co the thay rang khi >> 1, tc la nang lng Coulomb rat ln hn nang lng chuyen ong
nhiet, trang thai plasma gan vi trang thai ran. Ngc lai, neu <<1, chuyen ong nhiet hon loan
chiem u the; plasma trang thai cua kh ly tng. Con khi co gia tr trung gian, tnh chat cua
plasma la tnh chat cua lu chat. Nh vay, tuy theo gia tr cua tham so tng lien ma cac ai lng
nhiet ong hoc cua plasma se c tnh theo chat ran, lu chat hay kh l tng.
Ta cung co cong thc tnh trc tiep ai lng theo nhiet
o va mat o cua plasma nh sau:
= 2,69 10

Z 12
3
10 (cm )

1/ 3

T
6 .
10 K

(VII.2b)

Ta thay rang oi vi plasma co Z = 1 (nh ion H+ chang han), e co 1 , ta phai co mat o ion la
10 26 cm 3 neu nhiet o T 10 6 K .
oi vi nhng plasma phong ien kh trong phong th nghiem, plasma trong phan ng hat nhan co
ieu khien, ta co 10 3 10 5 , tc la plasma lien ket yeu. Ngc lai, cac plasma hnh thanh trong
cac sao lun trang, trong sao ntron la cac plasma lien ket manh, v khi nay, gia tr cua trong
khoang 10-100.
Cung nen biet rang cac phep tnh phan tch ket qua mo phong Monte-Carlo gan ay nhat la vao
nam 2000 cho thay rang gia tr m = 175 , co s chuyen pha long-ran, tc la plasma chuyen t trang
thai lu chat sang trang thai ket tinh, va ong thi gia tr c = 1,75 , hieu ng trat t a phng bat
au xuat hien.
Trc khi gii thieu cac khai niem quan trong c s dung rong rai trong viec nghien cu plasma
mot thanh phan, ta viet ra di ay dang the nang toan phan cua he:

r r
r
N

1
1
1
d
r
d
r
d
r
+ 2 r r
U = (Ze) 2
r (VII.3)

i=1 V R i r
2 1i, jN R i R j 2 V r r
i j

r
trong o R i la vect v tr th i, r la vect v tr cua electron (xem nh phan bo lien tuc) trong the
r
tch nguyen to d r , la mat o ion .
Ta thay ro rang ve phai cua phng trnh tren, so hang th nhat trong ngoac vuong ch ra the
nang tng tac gia cac ion dng co ien tch Ze, so hang th nh bieu hien the nang tng tac
electron-electron_dau tch phan chng to rang cac electron c phan bo lien tuc trong the tch V, va
so hang cuoi cung e tnh en tng tac ion-electron.

VII.A.2 Ham phan bo xuyen tam

Trong nhieu van e c nghien cu trong vat ly lu chat, nh vat ly nguyen t trong plasma, ta
can phai biet tng tac gia mot ion va cac ion ke can, ieu nay c phan anh qua gia tr cua ham
phan bo xuyen tam (radial distribution function), ma ta se xet nh ngha va cac tnh chat c ban sau
ay.
Neu goi u ( rij ) la the nang tng tac gia hai ion i va j trong N ion cua plasma, the nang toan phan
cua he la

r r
r
U U ( r1 , r2 ,..., rN ) =

u ( rij )

i< j

(VII.4)

r
r
r
r
Xac suat e ion 1 trong d r1 tai v tr r1 ,..., ion N trong drN tai v tr rN khong phu thuoc vao

van toc cua moi hat nen c tnh

r
1 U r
e
d r1 ...d rN ,
Q
trong o Q la tch phan cau hnh c nh ngha bi
r
r
Q = e U d r1 ...d rN .

(VII.5)

r
r
r
r
Nh vay, xac suat e ion 1 trong d r1 tai r1 , , ion n trong drn tai rn la
r
r r r
r
r r r
1
P ( n ) ( r1 ,..., rn )d r1 ...d rn = e U d rn +1 ...d rN d r1 ...d rN

Q V

r
r
r
r
1
P ( n ) ( r1 ,..., rn ) = e U d rn +1 ...d rN .
(VII.6)
QV
r
r r
r
ong thi, neu ta goi ( n ) ( r1 ,..., rn )d r1 ...d rn la xac suat e co mot ion nao o (khong nhat thiet la
r
r
r
r
ion 1) trong d r1 tai r1 , , e mot ion khac trong drn tai rn , th v co N kha nang e ion trong
r
r
r
d r1 , N1 kha nang e cho d r2 , , va Nn+1 kha nang cho d rn , tc la tat ca co
N!
N ( N 1)( N 2)...( N n + 1) =
( N n )!
kha nang, nen
r
r
r
r
N! 1
. e U d rn +1 ...d rN . (VII.7a)
( n ) ( r1 ,..., rn ) =
( N n )! Q V

r
r
N!
P ( n ) ( r1 ,..., rn ) .
( N n )!

(VII.7b)

r r
Chu y rang t nh ngha tong quat tren, th (1) ( r1 )d r1 la xac suat e mot trong nhng ion trong
r r
r
r
r
d r1 va v moi iem r1 trong the tch V la tng ng (tc la (1) ( r1 )d r1 oc lap oi vi r1 ) nen
r
N
1
(1) d r1 = (1) = = .
(VII.8)

VV
V
r r r r
Ta a vao khai niem ham phan bo xuyen tam t nhan xet rang ( 2) ( r1 , r2 )d r1d r2 la xac suat e
r
r
mot ion trong d r1 va mot ion khac trong d r2 , va v ( 2 ) ch phu thuoc vao khoang cach r12 nen
r r
( 2) ( r1 , r2 ) = ( 2 ) ( r12 ) ,
va
r r
( 2)
(2)
( r12 )d r1d r2 = V ( r12 )d r12 = N ( N 1) . (VII.9)
V

r
V phan bo cac ion trong plasma la hoan toan ngau nhien, xac xuat e ion 1 trong d r1 , , ion n
r
trong drn la
r r
r
d r1 d r2 d rn
r
r
.
...
= P ( n ) d r1 ...d rn
V V
V
1
P (n) = N
V
T (VII.7b), ta suy ra
1
N!
N!
(n) = n
= n n
(VII.10)
V ( N n )!
N ( N n )!

Vay:
N
(VII.11a)
=
V
N ( N 1)
1
2
( 2) =
=

(VII.11b)

V2
r
r
Neu xac suat e ion 1 trong d r1 oc lap vi xac suat e ion 2 trong d r2 , ta co xac suat e mot
r
r
ion trong d r1 va mot ion khac trong d r2 la
r r r r
r r
r r
( 2) ( r1 , r2 )d r1d r2 = [ (1) ( r1 )d r1 ][ (1) ( r2 )d r2 ]
r r
r
r
( 2 ) ( r1 , r2 ) = (1) ( r1 ) (1) ( r2 ) .
Nh vay, khi co s tng quan gia mot ion nay va mot ion khac, ta phai viet
r r
r
r
r r
( 2) ( r1 , r2 ) = (1) ( r1 ) (1) ( r2 )g ( 2) ( r1 , r2 )
(VII.12)
(1) =

T (VII.11a), ta co
r r
r r
( 2) ( r1 , r2 ) = 2 g ( 2 ) ( r1 , r2 )
So sanh vi (VII.7b), ta co
r r
r
N!
1 1
U r
g ( 2 ) ( r1 , r2 ) =
.
e
d
r
...
d
rN
3

( N 2)! 2 Q V

(VII.13)
(VII.14)

Va cuoi cung, ta thu c bieu thc cua ham phan bo xuyen tam:
2 g ( r12 ) =

r
r
N ( N 1)
. e U d r3 ...d rN
Q
V

Vi N u ln, ta se co
r
r
V2
g ( r12 ) =
. e U d r3 ...d rN ,
Q V

(VII.15)

(VII.16)

va v the nang toan phan U co dang (VII.4), tc la tong the nang tng tac cap, ta co the at thanh
tha so e U12 trong tch phan tren. ong thi, vi gia thiet rang co the bo qua s phu thuoc cac so
hang u 1i va u 2 j , vi i, j > 2, th
g ( r12 ) e u12

r r
Bang cach chuan hoa xac suat g ( r2 r1 )d 3 r2 / V ta co c:
r r
(VII.17)
g ( r2 r1 ) = e u12 .
S hieu biet cac gia tr cua ham phan bo xuyen tam ong vai tro quan trong trong viec khao sat
thong ke cua plasma, v mot phan la ham nay (cung vi trung bnh cua phan d cua nang lng t do)
la ai lng c tnh toan trc tiep bi phng phap Monte Carlo, ma ta se e cap trong phan VII.B
tiep theo sau, hoac neu khong, trong vat ly lu chat, g(r) co the o trc tiep t nhng th nghiem tan xa
neutron. Hn na, cac tnh chat nhiet ong lc eu co the tnh c t nhng tch phan tnh tren ham
g(r) nay .

Ta co the nhan xet tnh chat cua s phan bo cua cac hat trong chat long qua s bien thien cua g(r)
theo r cua ham phan bo xuyen tam thu c t ket qua cua th nghiem tan xa neutron tren argon the
long: cac cc tr nhon ch ra v tr cua cac hat ke can. ng nhien rang g ( r ) 0 khi r 0 v khi o,
lc ay gia cac hat ( ay la lc van der Waals) u ln e khong tm thay mot hat nao rat gan hat
ang xet. Ta cung co nhan xet tng t cho cac th nghiem tren may tnh gan ay cua phng phap
Monte Carlo cho cac plasma mot thanh phan. Ket qua tren cung cap bi cac tac gia Dewitt et al vao
nam 1998.

Qua hnh H.VII.2, ta thay rang cac cc tr cang ln khi tang, ieu nay co y ngha rang oi vi
nhng plasma co tham so tng lien ln, s on nh cua cac v tr cua cac ion ke can cang ln; plasma
co tnh chat gan vat ran hn, nh ta a nhan xet phan VII.A.1

VII.A.3 The man chan . nh ly Widom

e tnh en tng tac cua cac ion khac va ca cua cac electron trong plasma ta phai thay the u12
trong bieu thc (VII.17) bang the nang hieu dung
( Ze) 2
V( R ) =
H( R ) ,
(VII.18)
R
2
Trong o ( Ze ) la the nang tng tac Coulomb gia hai ion cach nhau mot khoang R va H(R) bieu

th o giam cua the nang tren do moi trng ben ngoai cua hai ion ang xet nay. Nh vay V(R) la the
nang lc trung bnh va H(R) la the man chan:
(VII.19)
g ( R ) = e V ( R ) .
Can biet rang the man chan H(R) ong vai tro rat quan trong trong moi nganh vat ly moi khi phai
tnh en tac dung cua mat o len cac hien tng vat ly. Trong nghien cu ve vat ly plasma cua vat ly
thien van chang han, the man chan ac trng cho o ha cua rao the Coulomb gia hai ion. Neu goi
h 0 la t so
h0 =

H (0)
( Ze ) 2 / a

(VII.20)

th trong nhng phan ng hat nhan, chnh the man chan a dan en tha so khuyech ai:
A = e h 0 .
(VII.21)
(H(0) la k hieu cua the man chan khoang cach tnh theo khoang cach hat nhan).
Neu ta bieu th chieu dai va nang lng theo n v cua a, la ban knh khoi cau ion va ( Ze) 2 / a ,
R
va ky hieu r = , ta se thu c bieu thc lien lac gia the man chan va ham phan bo xuyen tam
a
thng c dung sau ay:

g ( r ) = exp H ( r ) ,
r

(VII.22a)

1 1
H ( r ) = + ln g( r )
(VII.22b)
r
1
T he thc tren , ta co the nhan xet rang neu H ( r ) , ta co V( r ) 0 va g( r ) 1 : ta noi rang
r
hieu ng man chan la hoan toan.
Vao nam 1963, mot tnh chat quan trong xac nh dang cua the man chan trong lu chat a c
Widom phat bieu, c goi la nh ly Widom, nh sau:
Trong lu chat hay trong mang tinh the, the man chan la ham chan theo khoang cach gia hai ion
hay hai nguyen t va trong vung ban knh hoi tu, c bieu th bi mot a thc luan phien oi dau.
Can chu y rang nh ly tren c chng minh lan au vi lu chat bi Widom, va cho the ran bi
mot cong trnh gan ay (xem tai lieu tham khao [12, 13]).
Nh vay, bieu thc cua the man chan c viet:
H ( r ) = h 0 h 1 r 2 + h 2 r 4 ... + ( 1) i h i r 2i
H ( r ) = ( 1) i h i r 2i
i 0

(VIII.23)

Nh trong phan tren a c e cap en, h 0 = lim H ( r ) la so khuech ai khi co s tong hp cua
r 0

hai hat nhan nguyen t. He so tiep theo h 1 cua a thc (VII.23) a c chng minh bi Jancovici

(1977), co gia tr chnh xac bang 0,25. Cac he so con lai se phu thuoc trang thai cua plasma la lien ket
manh hay lien ket yeu, tc la trang thai co ac (tinh the) hoac the lu chat. Ta se xet chi tiet hn
ac tnh nay trong hai phan cuoi VII.C va VII.D cua chng.
VII.A.4 Tnh chat nhiet ong lc cua plasma mot
thanh phan
He plasma mot thanh phan la he chnh tac co ham tong thong ke:
r
r
r r
1
Z = 3N e ( K + V ) dp1 ...dp N dR 1 ...dR N
(VII.24)
h N!
trong o, K la tong ong nang cua he. Nh vay, ta co the viet:
Z = Z0Q ,
(VII.25)
vi Z 0 la ham tong thong ke cua kh ly tng:
r
r
VN
VN
Z0 = 3N e K dp1...dp N = 3 ( 2mkT)3N / 2 (VII.26)
h N!
h N!
nh ta a tnh chng III, va Q la tch phan cau hnh a c nh ngha tren:
r
r
1
Q = N e V dR 1 ...dR N .
(VII.27)
V
T cong thc tnh nang lng t do cua he:
F = kT ln Z ,
(VII.28)
va do cong tnh cua ai lng nay, ta co the phan tch ai lng F thanh hai phan: mot phan la nang
lng t do F0 cua kh ly tng, va phan th nh phat sinh t tng tac Coulomb Fex :
F = F0 + Fex .

(VII.29)

ong thi, vi nhan xet rang tch phan cau hnh Q ch phu thuoc vao nhiet o T = 1 / k va mat o
thong qua tham so tng lien gii han nhiet ong lc: V va N (trong khi
N
= = const ), ta co the viet:
V
Q = e Nf ( ) .
(VII.30)
F
Nh vay, f ( ) = ex , phan d cua nang lng t do oi vi ion tnh theo n v nang lng kT,
NkT
ch con phu thuoc vao . ieu nay cho phep ta cac cong thc n gian e tnh cac ai lng nhiet
ong hoc cua he, v du nh ap suat, nang lng toan phan, nhiet dung ang tch:
F
1 d

p=
= p 0 1 +
f ( ) ,
(VII.31a)
V
3 d

F
2 d

E = T 2
f ( ) ,
(VII.31b)
= E 0 1 +
T T
3 d

Cv =

E
d2
= C v ,0 1 2
f ( ) ,
2
T
d

(VII.31c)

trong o, p0, E0, va Cv,0 la cac ai lng tng ng vi kh ly tng:

p0 = ,
(VII.32a)

E0 =

3N
,
2

C v ,0 =

(VII.32b)

3Nk
2

(VII.32c)

V cac phep mo phong tren may tnh se trc tiep cho ta ai lng:
E E0
,
(VII.33)
u=
NkT
la phan d cua nang lng oi vi moi ion tnh theo n v nang lng kT, nen ta co the tnh c:
f ( ) = f ( 1 ) +

u ( )
d ,

(VII.34)

trong o 1 thng c chon bang n v, la gia tr phan biet gia plasma lien ket manh va plasma
lien ket yeu.
Ta cung suy ra c bieu thc lien he gia u va ham phan
bo xuyen tam
1 + 1
u = [g( r ) 1]4r 2 dr .
2 0 r

(VII.35)

VII.B Mo phong trong vat ly thong ke

VII.B.1 M au
S phat trien cua phng phap mo phong ch mi gan ay, v c gan lien vi s phat trien cua
cac may tnh ln. Cac th nghiem au tien c thc hien thanh cong bi Uhlam va Teller tai Los
Alamos vao nhng nam bon mi cua the ky trc. Tai ay cac gia tr cua ham phan bo xuyen tam
cua mot lu chat gom nhng khoi cau cng hai chieu a c tnh tren may tnh au tien tren the gii.
Ta se gii thieu s lc hai phng phap mo phong thong dung nhat hien nay la phng phap ong
hoc phan t (Molecular Dynamics) va phng phap Monte-Carlo, va cac phng phap phng trnh
tch phan a cho mot so ket qua trong viec nghien cu tnh chat thong ke cua plasma mot thanh phan.

VII.B.2 Phng phap ong hoc Phan T

Trong phng phap nay, ngi ta xet trc tiep he nhieu hat tng tac nhau bang cach giai cac
phng trnh chuyen ong: xet mot moi trng c mo ta bi mot ham Hamilton, v du mot lu chat
gom cac phan t tng tac nhau theo mot the nang nao o, ta xuat phat t mot cau hnh au tien
(phan bo cac phan t trong khong gian) va mot phan bo cua cac van toc. He c ac trong trang thai
vi chnh tac, tc la gom N hat chiem the tch V, co lap vi ben ngoai, va nh vay co nang lng c
bao toan.
moi bc cua phep mo phong, ta tnh cac v tr va van toc mi cua cac hat nh cac phng trnh
chuyen ong Newton va cac lc tac dung len mot hat do cac hat con lai cua he. Nh vay van e la
giai cac phng trnh vi phan vi ieu kien ban au

Cu the hn, oi vi he gom N hat co khoi lng m trong the tch V vi ieu kien bien, ta phai giai
3N phng trnh chuyen ong lien ket (N co o ln khoang 102 104 ). He thong cac phng trnh vi
phan c thay the bi cac phng trnh ri rac vi moc thi gian xac nh t. Phng phap tch phan
n gian nhat da tren c s cua khai trien Taylor cua v tr cua mot hat cac thi iem t + t va t
t quanh v tr cua hat thi iem t. Nh vay ta co c thuat toan rat n gian:
r
r
r
r
( t ) 2
ri ( t + t ) = 2 ri ( t ) ri ( t t ) +
Fij ( t ) , (VII.36)

m j=1, ji
r
trong o, Fij ( t ) la lc cua hat j tac dung len hat i tai thi iem t. Sai so nh vay vao khoang (t ) 4 .
Con van toc cua hat i vao thi iem t th c tnh
r
1 r
(VII.37)
v i (t) =
[ ri ( t + t ) ri ( t t )]
2 t
vi sai so khoang (t ) 3
Va nh vay, cac quy ao cua N hat cua he se xac nh c vi mot so ln bc thi gian (khoang
3
10 10 5 ) va cac bien so vi mo co gia tr trung bnh theo thi gian.
Tr ngai cua phng phap nay la cac sai so tang len theo thi gian mo phong va lam sao e gi
c nang lng khong oi. Hn na, thi gian moi bc cua mo phong phai u nho so vi chuyen
ong cua cac hat, vao khoang 10 14 10 12 s. Mat khac, e co the ac trng ay u cho mot trang
thai v mo, s mo phong phai keo dai khoang 10 6 s. Nh vay, can phai thc hien mot so rat ln cac
bc mo phong. Trong thc te, ta thay rang can phai co 3.104 en 5.104 bc e co ket qua.
Tuy nhien, mo phong ong hoc Phan T lai la phng phap mo ta qua trnh khong can bang va
nh vay cho phep tnh cac he so van chuyen, ieu ma phng phap mo phong Monte-Carlo khong
thc hien c.

VII.B.3 Phng phap Monte Carlo

Khac vi phng phap ong hoc Phan T, mo phong Monte Carlo (Xem them Van e I.B_Gii
thieu phng phap Monte Carlo) da tren y tng cac tap hp thong ke: xet mot he v mo trang thai
can bang ma ta muon tnh cac tnh chat, ta tao ra mot so rat ln nhng he tng t. Sau khi tnh toan
gia tr cua cac ai lng ma ta muon co, ta se lay gia tr trung bnh tren tap hp.
Nh vay, sau khi xac nh mot cau hnh ban au cua he, ta se phai lam phat sinh mot day nhng
cau hnh chon la mot cach ngau nhien, tc la ta phai co mot phan mem cho ta cac so ngau nhien tren
may tnh. Va ta phai co cac v tr cua cac hat sao cho nang lng cua moi cau hnh c phan bo ngau
nhien. Neu goi M la so cau hnh toan phan, gia tr trung bnh cua mot ai lng X xac nh cho moi
cau hnh c tnh:
M

X k e E k

X =

k =1
M

(VII.38)

E k

k =1

Trong thc te, ap dung he thc tren mot cach n thuan se dan en kho khan la moi cau hnh c
tao ra mot cach ngau nhien nh vay se co nang lng rat ln va tc la co tha so Boltzmann rat nho.
That vay, xet mot lu chat chang han, neu ta chon tnh c v tr mot hat ma cac hat lai rat gan nhau
nen ta thng se co mot gia tr rat ln cua nang lng. Do o vao nhng nam nam mi cua the ky
trc, Metropolis va Teller a e ngh mot phng phap hieu qua hn o la khong lay cac cau hnh

mot cach ngau nhien, nhng theo mot xac suat la ham cua nang lng: p( E k ) . Nh vay, gia tr trung
bnh cua he thc (VII.38) tr thanh:
M
1
X k e E k . p( E )
k
.
(VII.39)
X = k =1
M e E k

k =1 p( E k )
Cach chon hien nhien cho ham p la t le vi xac suat xuat hien cac cau hnh trang thai can bang,
tc la t le vi tha so Boltzmann cua phan bo chnh tac e E k . Khi nay gia tr trung bnh X tren
tr thanh gia tr trung bnh so hoc:
M

Xk

X =

k =1
M

1 M
Xk
M k =1

(VII.40)

k =1

Phng phap tnh tren goi la "phep lay mau quan trong" (importance sampling). e co c mot
day cac cau hnh sao cho s phan bo t le vi tha so Boltzmann, ta phai tao ra mot chuoi Markov
(Markov chain), tc la cau hnh th k ch phu thuoc cau hnh th k-1 ngay trc o ma khong phu
thuoc cac cau hnh th k-2, k-3,.......
Ta thay so sanh vi phng phap ong Hoc Phan T, mo phong Monte Carlo co nhng li iem
sau: qua trnh thc hien tren may tnh de dang hn, cac ket qua co c co o chnh xac cao hn, va
hn na, mo phong Monte Carlo co the ap dung cho cac tap hp thong ke chnh tac, chnh tac ln, ...
trong khi ong hoc Phan t ch c s dung cho tap hp vi chnh tac.
That vay, thanh cong quan trong cua mo phong Monte Carlo la ch can he co vai tram hat la u e
cho c cac gia tr cua cac ai lng ac trng cua he gii han nhiet ong hoc. Noi cach khac, vi
N 10 2 , th s phu thuoc cac gia tr trung bnh thong ke vao so hat la tr len rat nho.
Phng phap mo phong Monte Carlo a mang lai nhng ket qua rat quan trong trong lnh vc
plasma mot thanh phan trong nhng nam gan ay. Cong trnh au tien vao nam 1966 c thc hien
bi Brush va Teller cho mo hnh plasma nay the lu 0,05 100 . Gan mi nam sau, Hansen
cong bo cac ket qua co o chnh xac cao hn cung cho plasma lu chat: 1 160 , va sau o cho
plasma trang thai ran: 140 300 .
Cho en nhng nam gan ay, vao cuoi nam 1998, DeWitt et al a thc hien cac mo phong Monte
Carlo vi o chnh xac rat cao, khoang 10 3 cho ham phan bo xuyen tam g(r).
Cung nen biet rang, gan ay, cac phep mo phong Monte Carlo lng t cung a c th tren cac
may tnh toc o cao, v du nh bi Otaga tai Nhat, mac du con rat nhieu kho khan quan trong phai
vt qua.

VII.B.4 Cac phng phap so khac

Trong cac phng phap noi tieng s dung cac phung trnh tch phan e khao sat cac tnh chat cua
plasma mot thanh phan nh phng trnh Born-Green-Yvon(BGY), phng trnh Percus-Yevick (PY),
hay phng trnh HypeNetted Chain, phng phap sau cung to ra hu hieu nhat. Ta co the tom tat
phng phap HyperNetted Chain mot cach s lc nh sau:
Goi h( r ) = g( r ) 1 la ham phan bo xuyen tam toan phan, ta co he thc sau

(VII.41a)
g( r ) = exp + h( r ) c( r ) ,

trong o c(r) goi la ham tng lien trc tiep, lien he vi h(r) qua he thc Orstein-Zernike:
r r r r
(VII.41b)
h( r ) = c( r ) + d r c r r h( r ) .
Hai he thc (VII.41a) va (VII.41b) tren tao thanh tap kn
ma ta co the thc hien cac phep tnh bi bc lap.
Nhng khi ng dung cho plasma mot thanh phan, phng phap HyperNetted Chain ch cho ta cac
gia tr chnh xac cua ham phan bo xuyen tam g(r) cac gia tr nho cua tham so tng lien: 1 . oi
vi nhng he plasma lien ket manh, phng phap nay cho ta ket qua kha sai lech so vi nhng mo
phong Monte Carlo gan ay nhat. Do o, e khao sat cac tnh chat nhiet ong hoc cua plasma mot
thanh phan, ta se ch dung cac so lieu cung cap bi phng phap HyperNetted Chain oi vi plasma
lien ket yeu.
VII.C Plasma lien ket manh

Nh ta a thao luan phan VII.A, thong thng, he plasma co tham so tng lien ln hn hay
bang n v: 1 , c goi la plasma lien ket manh; tng tac Coulomb gia cac ion bat au chiem
u the so vi chuyen ong nhiet hon loan cua cac ion nay. Noi cach khac, v tr cua cac ion bat au co
trat t hn. Nh tren hnh VII.2, ta co the thay rang khi 1 , th bat au xuat hien cac cc tr cua
ham phan bo xuyen tam g(r) , tc la xac suat tm thay mot ion ke can mot ion nao o ta xet tai mot v
tr nao o se ln hn cac v tr khac, ta goi o la trat t a phng.
Nhac lai rang theo nhng tnh toan gan ay th gia tr cua tai o plasma bat au ket tinh la bang
175. Nh vay, ta co the hieu rang plasma lien ket manh la plasma co hieu ng trat t a phng xuat
hien, ac trng cua chat long, cho en plasma trang thai tinh the.
Ta cung a biet rang cac tnh chat nhiet ong lc cua plasma co the tnh c t gia tr cua ham
phan bo xuyen tam g(r) trong khi ham nay co the tnh c t the man chan H(r) theo he thc
(VII.22a):

g ( r ) = exp H ( r ) .
r

ong thi, nh ly Widom lai cho ta biet oi vi chat long, dang cua ham H(r) la a thc bac chan,
co dau luan phien oi theo ban knh rut gon r = R/a nh he thc (VII.25) a ch ra
H ( r ) = ( 1) i h i r 2i = h 0 h 1 r 2 + h 2 r 4 h 3 r 6 + ... ,
i0

nen ta se tm bieu thc cu the cua H(r), tc la xac nh gia tr cua cac he so hi oi vi moi gia tr cua
tham so tng lien .
Nh vay, e khao sat the man chan oi vi plasma lien ket manh, ta se xet bieu thc cua the nay
cua plasma ket tinh 175 va plasma the long 175 .

VII.C.1 The man chan trong mang tinh the

Xet mang tinh the gom N ion co ien tch Ze c trung hoa ve ien do khoi kh electron phan bo
ong nhat co mat o e = Z ( la mat o ien tch trung bnh cua ion). Cac ion co v tr can bang
r
r
xac nh bi R i (i = 1, 2, , N), c phan bo theo mot oi xng nao o. Goi ri la v tr cua ion i tai
r r
mot thi iem nao o th o bien thien cua the nang khi cac ion thc hien o di ri R i c tnh:
V = Vei + Vii ,
(VII.42)
trong o:
N
r 1
1
Vei = Ze 2 e d r r r r r
r ri
r Ri
i =1

(VII.43)

la phan ong gop cua tng tac ion-electron, va

N
r 1
1
1
Vii = ( Ze) 2 d r r r r
r
2
ri r j
Ri R j
i, j i

la do tng tac ion-ion.

(VII.44)

Goi H R la the nang do hieu ng man chan, ta co the viet

( Ze) 2
V = r r HR ,
r1 r2

(VII.45)

r
r r r
r r
H R se c tnh theo v tr tng oi R = r1 r2 , o di tng oi = R 12 R ,(vi
r
r
r
R 12 = R 2 R 1 ), nh c bieu dien trong hnh H.VII.3

r
R
r
(1) R 12
r
r
r1
R1

r
r2

(2)

r
R2

O
H.VII.3

e co the tnh c H R , ta s dung "phep gan ung tnh", tc la gia s rang o di cua cac ion la
r
nho so vi khoang cach lien ion R 12 v tr can bang. Khi nay
r r
ri = R j
(i 1,2)

r
r

rr = R
+
1
1
2

r
r
r
r2 = R 2
2

r
r << R

12
r
ong thi, neu goi d la khoang cach gia hai ion gan nhau nhat v tr can bang d = R 12 , ta co
the viet
r
r
Rr
= 1 R 12 R 12 ,
d

= 0 va = 1 tng ng vi trang thai

trong o la he so bieu th khoang cach gia hai ion 1 va 2:
can bang ban au va trang thai hai ion nay ket hp thanh mot .
Bang cach xet tnh oi xng trong mang tinh the lap phng tam khoi (body centered cubic-BCC
lattice), tc la khi ta co d = ( 3 )1 / 3 a va phng phap khai trien a cc, ta co c bieu thc the
man chan:

1/ 3

2
4

R
R
HR
1,391160 0,258399 0,162060 +
d
d

6
8
10
R
R
R
(VII.46)
+ 0,034887 0,005789 + 0,000210
d
d
d

1
=

Chu y rang trong bieu thc tren H R la ham chan theo R, tnh chat ma nh ly Widom a neu ro
cho chat long.
VII.C.2 The man chan trong plasma lu chat

T nhan xet rang ta co the khai trien Taylor the man chan H(r) quanh rmax , la v tr cua cc ai
au tien cua ham phan bo xuyen tam g(r), g max theo cong thc
H(r ) =

1
rmax

d i H ( r )
++
( r rmax ) i , (VII.47)
dr i
i
!
i

rmax

vi
1
ln g max

ta co the viet bieu thc sau cho the lc trung bnh

1
V( r ) = H ( r )
r

(VII.48)

(VII.49)
4

r
r
r
+ s3 1
+ s4 1
+ ... (VII.50)
V(r) = + s2 1
rmax
rmax
rmax
tc la ta co the xem V(r) nh la s phan tch gieng the au tien ra lam thanh phan ieu hoa va cac
thanh phan phi ieu hoa co bac cang luc cang ln hn, phng phap thng c s dung trong viec
khao sat dao ong cua cac phan t lng nguyen t. Cac he so si nh vay c xem nh la cac hang
so lc hoi phuc.
Vi nhan xet rang trong khoang [5,160] , ta ch can khai trien ham H(r) thanh a thc bac 12
va trong khoang cach lien ion rut gon r [0, 2,72] :
6

H ( r ) = ( 1) i h i r 2i ,

(VII.51)

i =0

ta tm c cac he so h i cho bi:

h i = 10 i

a ik (ln ) k ,

(VII.51)

k =0

Vi cac he so a ik c cho bi bang sau:

a0
a1
a2
a3
a4
a5

h0

h2

h3

h4

h5

h6

9.39E-02

5.23202

3.85367

-3.97029

-5.91367

-8.11E-01

1.50E-01

-1.92192

-2.1984

3.66246

4.68817

-4.13E-01

-5.21E-02

7.48E-01

1.33511

-3.49E-02

1.82E-02

1.2782

7.23E-03

-1.23E-01

-3.49E-01

-4.07E-01

-6.06E-01

-5.91E-01

-2.95E-04

7.31E+03

3.99E-02

9.17E-02

1.42E-01

1.04E-01

-9.84E-06

4.63E-05

-1.60E-03

-6.04E-03

-9.83E-03

-6.46E-03

Bang VIII.1
Can chu y rang bang phng phap nay, ta co the tnh c chnh xac hang so khuyech ai h0, ong
vai tro quan trong trong phan ng tong hp hat nhan, tc la gii han ham cua ham H(r) khoang cach
vo cung ngan, trong khi phng phap mo phong Monte Carlo khong the cho gia tr cua ham phan bo
xuyen tam g(r) khoang cach nho nh vay.
1
Ta co the nhan xet tiep theo la cac he so hi a c tnh vi o chnh xac
, tc la tng ng
1000
vi o chnh xac 103 cho ham g(r), tng ng vi o chnh xac cho bi ket qua cua mo phong
Monte Carlo gan ay. ieu quan trong can nhan manh la ta cung rut ra c bieu thc cua the man
chan H(r) la a thc bac chan, luan phien dau, phu hp hoan toan vi nh ly Widom a phat bieu cho
lu chat, nhng ay a c chng minh a thc bac cao nh vay.

VII.D Plasma lien ket yeu

Ta danh phan cuoi cung nay cua chng cho viec khao sat plasma co tham so tng lien 1 , tc
la plasma ma hieu ng trat t a phng cha xuat hien. Cac ket qua cua mo phong Monte Carlo
cung nh cac phng phap HyperNetted Chain eu cho thay rang trong moi trng plasma ma nang
lng chuyen ong nhiet chiem u the so vi nang lng Coulomb nay, ham phan bo xuyen tam g(r)
co dang ieu bien thien la tang n ieu theo khoang cach lien ion, ieu hoan toan phu hp vi ly
thuyet co ien thng c s dung trong lnh vc nay la ly thuyet Debye-Hckel. Tuy nhien, nh ta se
thay, ly thuyet thng c chap nhan nay lai co nhng van e can phai ieu chnh e phu hp vi
cac ly thuyet cung nh thc nghiem, t ra la trong moi trng plasma mot thanh phan. au tien, ta se
khao sat ly thuyet Debye-Hckel, sau o, ta se xet xem ly thuyet nay co the c cai tien ra sao.
VII.D.1 Ly thuyet Debye-Hckel

Phng phap Debye-Hckel c phat trien t nam 1923 e tnh toan cac gia tr nhiet ong lc cua
dung dch ien phan manh (nh dung dch baz manh, dung dch axt manh, ...). Xet ve phng dien
hat tch ien th cac he vat ly nay tng t vi moi trng plasma.
Xet mot ion nao o cua he plasma, co ien tch q. Chon v tr cua ion nay la goc toa o. Ion nay
ay cac ion khac va hut cac electron xung quanh. Nh vay, ta co the xem nh ion nay tao ra trong
khong gian chung quanh mot " am may" co phan bo lien tuc, ac trng bi mat o ien tch khoi
( R ). Goi V(R) la the trung bnh sinh ra do ion ang xet va am may cua ion nay.
Ta co hai ham so ( R ) va V(R) la hai bien so phai xac nh. Nh vay ta phai co hai phng trnh:
Phng trnh th nhat thuan tuy do tnh chat tnh ien, o la phng trnh Poisson cho phep ta
lien he gia the nang va mat o ien tch tai moi iem:
V( R ) = 4Z e (0) + 4 e[ Zn Z( R )] ,
(VII.52)
trong o n la mat o ien tch trung bnh cua cac ion va la toan t Laplace . (0) la ham delta Dirac.
Chu y rang V(R) phai thoa cac ieu kien gii han sau:
Ze
lim V( R ) =
,
(VII.53a)
R 0
R
lim V( R ) = 0 .
(VII.53b)
R

 Gia s rang nhiet o cua he plasma u ln e ta co the xem nh mat o c phan bo bi thong
ke Boltzmann:
( R ) = n exp[ZeV( R )]
(VII.54)
Thay the bieu thc tren cua ( R ) vao phng trnh Poisson (VII.52) tren, ta co phng trnh
Poisson-Boltzmann:
V( R ) = 4Z e (0) + 4Zn{1 exp[ ZeV( R )]} (VII.55)

Ta cung a vao khoang cach rut gon r = R / a va nang lng theo n v cua Ze / a , ong thi at
V( R )
(VII.56)
y=
= rV( r ) ,
Ze / R
ta thu c t phng trnh (VII.55), neu nhan xet rang bai toan co tnh oi xng cau:
d 2 y( r )

(VII.57)
=
3
r
1

exp

y
(
r
)
.

r
dr 2

Nghiem y(r) phai thoa cac ieu kien gii han sau:
lim y( r ) = 1
r 0

(VII.58a)
(VII.58b)

lim y( r ) = 0

Ta dung phng phap gan ung Debye tc la tuyen tnh hoa tha so Boltzmann:
y( r )
y( r )

.
(VII.59)
exp

r
r

Va nh vay, ta co phng trnh:

d 2 y( r )
= 3y( r )
(VII.60)
dr 2
Phng trnh vi phan tren cho ta nghiem:
y DH ( r ) = e r 3 ,
(VII.61)
thoa cac ieu kien (VII.58 a va b).
Nh vay, ta se co the trung bnh, the man chan, va ham phan bo xuyen tam Debye-Hckel co bieu
thc lan lt la
VDH ( r ) =

e r

1 e r 3
,
r

g DH ( r ) = exp e r 3 .
r

ieu quan trong can chu y la cac nghiem tren cua phep tnh gan ung Debye-Hckel ch co gia tr
khi nao khong co tac dung cua trat t a phng, co ngha la ham g(r) la ham tang n ieu theo r.
Khi nay, ta co the at ieu kien cho tham so tng lien: < c , vi c la gia tr ti han ke t o hieu
H DH ( r ) =

ng trat t a phng bat au xuat hien. Ta se xac nh c trong phan sau.

VII.D.2 Hieu chnh ly thuyet Debye-Hckel

a) Nhng gii han cua ly thuyet Debye-Hckel

Ta th xet s bien thien cua the man chan Debye-Hckel H DH ( r ) khoang cach lien ion rat
ngan, tc la khai trien Taylor cua H DH ( r ) quanh r = 0:

1 e r 3
1
1

3 1 r 3 + r 2 + ...
r
2
2

Ta thay ngay s mau thuan cua bieu thc tren vi tnh chan oi vi bien r theo nh ly Widom. Do
o ieu nay cho thay cac he thc Debye-Hckel ch ung vi cac khoang cach lien ion r ln hn mot
gia tr gii han rDH nao o oi moi gia tr cua tham so tng lien .
Mot cach khac, ta co the xet ieu kien e tuyen tnh hoa tha so Boltzmann trong phng trnh
y
vao phng trnh (VII.57) nay:
Poisson-Boltzmann bang cach a tham so phu =
2r

d 2 y( r )
2 2 1 3
( 1) i 2 i i
3
r
1
...
=

+
+
...

3
3
(i + 1)!
dr 2

H DH ( r ) =

ta co the nhan xet ngay rang nghiem Debye-Hckel y( r ) = e

3 r

ch co the nhan c vi eu kien:

y e 3 r

<1 ,
2r
2r
tc la r phai b chan tren : r < rDH nh a nhan xet tren.
Ngoai ra, nh a khao sat muc VII.D.1 , cac nghiem Debye-Hckel ch c chap nhan vi ieu
kien cho tham so tng lien < c , tc la bao am cho ham phan bo xuyen tam g(r) khong co dao
=

ong.
V cac ly do tren, ta se th xet mot phng phap e vach ro gii han ap dung cua ly thuyet
Debye-Hckel cho moi trng plasma loang.
b) Hieu chnh ly thuyet Debye-Hckel

Nh vay, ta se tnh the man chan di dang:

1 e r 3

r
H(r) =
4
( 1) i h r 2 i
i
i
=1

, r > rDH ,

(VII.62a)

, r rDH ,

(VII.62b)

tc la ta xem nh ly thuyet Debye-Hckel ch ung cac khoang cach r > rDH , con oi vi r rDH , ta
phai s dung nh ly Widom. Chu y rang trong bieu thc (VII.62b) tren, bac cua a thc c xac
nh bang 8, phu hp vi cac d lieu "thc nghiem" cho bi cac phep tnh so va mo phong Monte
Carlo, va ong thi, ta co gia tr chnh xac cua he so h 1 : h 1 = 0,25 , theo cac tnh toan ly thuyet cua
Jancovici.
T cac phep tnh toi u hoa tnh lien tuc gia dang giai tch cua ham phan bo xuyen tam g(r) va
cac ket qua so co c, ta xac nh c bieu thc cua khoang cach Debye-Hckel nh sau:

rDH ( ) = 1,62540 + 0.34536Arctg 3,04030 ln

0,25412

Vi ket qua tren, ta co the de dang kiem chng c rang khi r rDH , ieu kien tuyen tnh hoa
tha so Boltzmann de dang c thoa (v du nh oi vi = 0,05 th = 1,38 10 2 , va oi vi = 2
th = 2,67 10 3 ).
c) Gia tr cua ngng c

Theo hnh H.VII.2, ta thay ham phan bo xuyen tam g(r) co nhng dao ong tat dan theo khoang
cach tren ion rut gon r. Bien o cua cac dao ong nay, ac biet la cua dao ong th nhat giam rat

nhanh theo tham so tng lien va cuoi cung triet tieu: lim g( r ) = g c ( r ) , lim rmax = rmax C , va
c

ong thi g c ( r ) = 1 khi r > rmax , ta noi rang tac dung cua man chan la hoan toan tai mot gia tr rmax C .
Nh vay ta co the viet bieu thc cua the man chan tai gia tr ngng cua hieu ng trat t a phng
phu hp vi
1
, r rmaxC ,
r
lim H ( r ) = H c ( r ) = 4
c
( 1) i h i r 2i , r < rmaxC .
i =1

ieu ng nhien la ta se s dung tnh lien tuc cua bien o va hai ao ham lien tiep cua H(r)
iem tiep xuc rmax C .
Cac phep tnh cu the cho thay la gia tr ngng cua tham so tng lien phai bang c = 1,75 e bao
am s lien tuc tren. Gia tr tren cho phep ta tnh c bieu thc cua H(r) va cho ket qua rat phu hp
vi cac d lieu "thc nghiem" cho bi mo phong Monte Carlo va phng phap HyperNetted Chain. Ta
co the hnh dung ro hn hien tng chuyen t s bien thien n ieu sang s bien thien dao ong tac
dan (qua gia tr ngng c ) tren hnh H.VII.4.

Noi tom lai, qua chng nay, ta thay van e the man chan trong plasma mot thanh phan a
c giai quyet hau nh triet e vi cac ket qua chnh xac hoan toan phu hp vi cac so lieu "thc
nghiem" ma ta co c hien nay.

Trong gii han cua noi dung chng trnh, ta ch co the trnh bay van e tnh toan cac tnh chat
nhiet ong lc cua plasma mot thanh phan mot cach s lc nh tren. Cac oc gia muon tm hieu sau
hn van e co tnh thi s nay co the oc them cac t lieu chuyen khao phan tai lieu tham khao (t
[12] en [17]).
Tuy nhien, bai toan tong quat ve van e nay van m ra nhieu phng hng nghien cu con e
ngo hien nay, v du nh bieu thc giai tch cua cc ai th hai cua ham phan bo xuyen tam, tong quat
hoa phng phap tren cho plasma hai thanh phan hay nhieu thanh phan, ng dung ket qua tren cho
phep tnh be rong vach pho (spectral line shape), ...

Chng VIII
PHNG PHAP TOAN T THONG KE
VIII.A Mo ta lng t mot he v mo
VIII.B Toan t thong ke. Tnh chat
VIII.C ng dung cua toan t thong ke

Trong chng nay, ta se khao sat mot phng phap rat hu ch c s dung trong vat ly thong ke.
Trong thc te, ta thng gap nhng van e ma trang thai cua mot he vat ly khong c hoan toan xac
nh, v du nh trang thai cua cac nguyen t trong mot chum tia ban ra t mot lo co nhiet o T. Khi o,
ong nang cua cac nguyen t ch c xac nh mot cach thong ke. Phng phap s dung toan t
thong ke ma ta xet ay la s ap dung ong thi cac tien e cua c hoc lng t va cac ket qua cua
phep tnh thong ke.

VIII.A Mo ta lng t mot he v mo

e thuan tien cho viec thiet lap c s cua phng phap cung nh cac ng dung cua toan t
thong ke, ta se nhac lai van tac ay cac noi dung quan trong cua viec mo ta mot he v mo trong c
hoc lng t, ma ta a e cap en trong chng I.

VIII.A.1 Trang thai vi mo lng t

Theo c hoc lng t, trang thai cua mot he vat ly tai mot thi iem t c ac trng bi vect ket
( t ) thuoc khong gian E cac trang thai cua he. S tien hoa theo thi gian cua trang thai c bieu
th bang phng trnh Schrdinger:
d
( t ) ,
(VIII.1)
ih
( t ) = H
dt
trong o H la toan t Hamilton cua he.
Khi H khong phu thuoc thi gian, ta noi rang he la he bao toan. Khi nay, ta co phng trnh tr
rieng:
l = E l l .
(VIII.2)
H

Cac tr rieng E l la cac gia tr co the cua nang lng cua he va cac vect rieng l goi la cac

trang thai dng cua he. Ta co the chng minh c rang neu he trang thai l tai mot thi iem t0,

he se mai trong trang thai nay va tnh chat cua he la oc lap oi vi thi gian.
Cac trang thai cua he c ac trng bi mot vect ket cua khong gian cac trang thai c goi la
trang thai thuan nhat.
Chu y rang khi mot gia tr cua E l cho nhieu vect ket il oc lap tuyen tnh, tc la khi mc nang
lng E l suy bien, ta se co phng trnh tr rieng

il = E l il
H

vi i = 1, 2, , g l , g l c goi la bac suy bien.

(VIII.3)

Trong thc te, oi vi he vat ly co kch thc v mo, ta khong the va va lai khong co ch li e
biet chnh xac trang thai vi mo lng t cua he, v so toan t quan sat c rat ln, so sanh c vi so
tham so can thiet e xac nh he trong c hoc co ien. Do o, ta ch co the co nhng thong tin khong

ay u ve he vat ly ang xet, tc la ta phai dung cac phng phap thong ke. Tuy nhien ,can nh rang
cac phep tnh thong ke ay phai c s dung ve ca hai phng dien: th nhat, trang thai vi mo cua
mot he lng t ve ban chat a mang tnh thong ke, th nh, v ta ch co nhng thong tin khong ay u
ve he v mo ang xet.

VIII.A.2 Toan t quan sat c

Ta biet rang oi vi mot he hat (khong tnh en spin), trang thai cua he tai thi iem t0 co the
r
c bieu th bi ham song ( r , t 0 ) , la hnh chieu cua vect ket ( t 0 ) len khong gian toa o.
r
2
Trong cach giai thch mot cach thong ke cua ham song la ( r , t 0 ) la mat o xac suat e hat v tr
r
r tai thi iem t0 neu co ieu kien chuan hoa:
r
2 r
(VIII.4)
( r , t 0 ) dr = 1
Mot cach tong quat, khong gian trang thai E cua cac vect ket la khong gian vect tren trng cac
so phc, c trang b mot tch vo hng (khong gian Hilbert). Tch vo hng cua cac vect va
c k hieu
r
r r
= ( r ) ( r )d r

(VIII.5)

c goi la vect bra, thuoc ve khong gian oi ngau cua khong gian E.

Mot tien e cua c hoc lng t cho ta biet rang moi ai lng vat ly o c se c bieu dien
tng ng vi khong gian E. Toan t nay c goi la toan t
bang mot toan t lien hp (hermite) A
quan sat c (observable), thoa tnh chat sau
f = f A
f
f1 A
2
2
1

(VIII.6a)

tc la
+

f )d rr
f 1 ( A
2

f )] d rr
[f 2 ( A
1

f 2 ( A

r
f 1 )d r .(VIII.6b)

Cung theo mot tien e cua c hoc lng t, phep o mot ai lng vat ly ch cho ta mot trong cac
tr rieng cua toan t quan sat c tng ng:
=A ,
(VIII.7)
A
va tr trung bnh cua ket qua o la:
= A
drr
A = A

V du nh oi vi nang lng cua he:

,
E = H

(VIII.8)
(VIII.9)

vi
2
2
( rr ) = h + U
( rr )
= p + U
H
2m
2m

(VIII.10)

VIII.A.3 Cac v du quan trong ve he bao toan

Mot cach tong quat, tat ca cac he vat ly co ham
Hamilton co the at di dang
2
= aP 2 + bQ
H
(VIII.11)
va P thoa he thc
(vi a, b la cac hang so dng) theo cac toan t quan sat c Q
, P ] = ih ,
[Q
(VIII.12)

 , P ] la giao hoan t c nh ngha bi:

eu tao nen mot dao ong t ieu hoa tuyen tnh. ( [Q
, P ] = Q
P PQ
).
[Q

oi vi hat khoi lng m, chuyen ong mot chieu di tac dung cua lc hoi phuc F = -kx, co the
nang la:
1
U = kx 2
(VIII.13)
2
Nh vay toan t Hamilton cua he c viet
2,
= 1 P 2 + 1 m2 X
(VIII.14)
H
2
2m
vi toan t ong lng va toan t toa o trong bieu dien toa o la
d
,
(VIII.15)
P = ih
dx
=x ,
X
(VIII.16)
va tan so goc
K
m

(VIII.17)

Ta chng minh de dang rang

, P ] = ih .
[X
(VIII.18)
Do o, hat ang xet la dao ong t ieu hoa tuyen tnh. Ta chng minh c rang toan t
Hamilton (VIII.14) co cac tr rieng la:
1

(VIII.19)
E n = n + h , n = 0, 1, 2,
2

tc la pho nang lng la gian oan. Cac mc nang lng la khong suy bien: moi mc nang lng ta
ch co mot trang thai rieng n tng ng.
Chu thch:
Neu ta at
a =

( Q + i P )

(VIII.20a)

va

a + =

1
2

iP ) ,
(Q

(VIII.20b)

ta se co
[a , a + ] = 1 ,

(VIII.21)

(1 la toan t n v)
Va neu at

= H ,
H
h
= a + a ,
N
ta chng minh c rang:

(VIII.22)
(VIII.23)

+1.
= a + a + 1 = N
H
2
2
: N n = n n , ta se co:
Goi n va n la tr rieng va vect rieng cua N
a n = n n 1

(VIII.24a)

a + n = n + 1 n + 1

(VIII.24b)

n = n + 1 n
H
2

(VIII.24c)

tc la

E n = h n +
2

(VIII.25)

(Cac mc nang lng cach eu nhau, va mc c ban la

bao gi trang thai ngh).
Khi tac dung a + va a len n , ta co:

h
: dao ong t ieu hoa lng t khong
2

a + n n + 1 co nang lng E n +1 = E n + h nen ta xem nh a + a sinh ra mot lng t

nang lng h nen a + c goi la toan t sinh.
a n n 1 co nang lng E n 1 = E n h nen a a lam bien mat mot lng t nang lng
h ; a c goi la toan t huy.
Cac toan t a + va a c s dung rong rai trong ly thuyet trng lng t e mo ta cac qua trnh
sinh hat va huy hat. V du nh mot photon co nang lng cao tng tac vi vat chat se cho hat va phan
hat, nh photon mang nang lng 1 MeV se cho mot cap electron va positron.

b) Rotator lng t

r
Ta co he thc gia nang lng E va momen ong lng L cua mot rotator co ien:
r
L2
(VIII.27)
E=
2I
trong o I la momen quan tnh cua he.
(Xem them chng III: Phan bo chnh tac. ng dung)
Do o, he rotator lng t co toan t Hamilton

2
=L ,
(VIII.28)
H
2I
vi L la toan t momen ong lng. Nhng ta biet rang:

L2 j, m = h 2 j( j + 1) j, m ,

vi

m = 0, 1, 2, , j
tc la co 2j+1 gia tr cua m.
Do o:
2
j, m = h j( j + 1) j, m = E j j, m
H
2I
2
h
j( j + 1) .
Ej =
2I
Ta co mc nang lng Ej suy bien bac gj = 2j+1.

(VIII.29)
(VIII.30)

(VIII.31)
(VIII.32)

VIII.A.4 Trang thai v mo

Trong trng hp cac trang thai vi mo thuan nhat khong c biet ro, nhng co gia tr cua xac suat
P1 e he trang thai thuan nhat 1 ; P2 e he trang thai thuan nhat 2 ; , ta noi rang ta co mot
hon hp thong ke (mot trang thai v mo) cua cac trang thai thuan nhat 1 , 2 , vi cac ieu
kien cho xac suat pm:

0 pm 1 ,

(VIII.33a)
(VIII.33b)

pm = 1 .
m

Khi nay, e o mot ai lng vat ly A nao o cua he, ta tnh gia tr trung bnh cua A neu he
trang thai m :
(VIII.34)

A m = m A
m

Gia tr trung bnh cua A cua he la mot hon hp

thong ke c tnh:
(VIII.35)
A = pmAm .
m

VIII.B Toan t thong ke. Tnh chat

VIII.B.1 Cac he thc quan trong trong c hoc lng t
Trong c hoc lng t, mot tap

{ u i } cac vect

u i tao thanh mot c s neu bat ky vect trang

thai nao cung co the c bieu dien mot cach duy nhat theo cac vect u i :
(VIII.36)
= ci ui
i

He thc tren c goi la he thc phan tch pho.

C s { u i } la c s trc chuan neu ta co he thc trc chuan sau:
ij = 0 neu i j ,

ij = 1.

u i u j = ij

Khi nay, ta co:

(VIII.37)

u j = ci u j ui = C j .
i

Nh vay:

= ci ui = ui ui = ( ui ui
i

= u i u i .

Tc la:

ui ui = 1

(VIII.38)
He thc tren c goi la he thc ong, he thc nay chng to rang tap

{ u i } tao thanh mot c s.

VIII.B.2 Bieu dien ma tran cua toan t

. Trong mot c s
Xet mot toan t tuyen tnh A

{ u i }, ta co the lien ket

vi mot day so c
A

xac nh nh sau:
u
A ij = u i A
j

(VIII.39)

Cac so hang Aij nay phu thuoc hai ch so i va j, c xep thanh cac phan t cua mot ma tran: Aij
c bieu dien bi mot
cho ta so hang hang i va cot j cua ma tran nay. Noi cach khac, toan t A
ma tran trong c s { u i } nh sau:

A11

A 21
M

A i1

A12 K A1j K

A 22 K A 2j K
A

M
M

A i2 K A ij K

M
M

(VIII.40)

(Chu y rang ta cung co the nh ngha tng t nh tren trong trng hp c s la lien tuc).
, c k hieu TrA hay SpA , c nh ngha la tong cua cac phan t cua ma
Vet cua toan t A
tran cheo A
= A = u A
u
TrA
ii
i
i
i

(VIII.41)

khong phu thuoc vao c s:

Ta co the chng minh c rang vet cua mot toan t A
u = w A
w
TrA = u A
(VIII.42)
i

Vet cua mot toan t co cac tnh chat quan trong

sau:
i) Tr ( AB) = Tr ( BA)
ii) TrABC = TrBCA = TrCAB
That vay, ta xet hai c s trc chuan { u i
ta co:

u = u v v A
u
ui A
i
i
j
j
i

i
i
j
Nhng:

} va {

(VIII.43a)
(VIII.43b)
v i }. Do he thc ong (VIII.38) cho c s

{ v i },

u = u v v A
u
u i v j v j A
i
i
j
j
i
j

i, j
u u v
= vj A
i
i
j
i, j

u u v
= vj A
i
i j

j
i

v
= v A
j

( tren, ta a dung he thc ong cho c s { u i }).

Vay:
u i A u i = u j A u j ,
i

khong phu thuoc vao c s.

tc la tong cua nhng phan t cheo cua ma tran bieu dien toan t A
Ta co the chng minh he thc (VIII.43a) nh sau:
TrAB = u i AB u i = u i A u j u j B u i
i

do

i, j

uj uj = 1

TrAB = u j B u i u i A u j = u i AB u j
i, j

do

= TrBA

ui ui = 1 .

VIII.B.3 Toan t thong ke (trng hp thuan nhat)

vao thi iem t c tnh:
Ta biet rang gia tr trung bnh cua toan t quan sat c A
( t ) .
A = ( t ) A
(VIII.44)

Vi

{ u n } la mot c s, vect trang thai

( t ) = c n ( t ) u n ,

( t ) c viet:

(VIII.45)

un = 1 ,

(VIII.46)

neu ta gia s ( t ) c chuan hoa. Do o, t (VIII.44), ta co:

A (t ) =

Cn ( t ) u n A(C m ( t ) ) u m

n, m

Cn ( t )C m ( t ) u n

n, m

A (t ) =

Cn ( t )C m ( t )A nm

u
A
m

(VIII.47)

n, m

vi
u
A nm = u n A
m
.
la phan t cua ma tran bieu dien toan t A
Nhng mat khac, ta lai co:

(VIII.48)

u n ( t ) ( t ) u m = Cn (t)C m (t)

(VIII.49)

nen ta co the nh ngha toan t mat o hay toan t thong ke ( t ) bi:

( t ) = ( t ) ( t )
Nh vay, toan t thong ke ( t ) c bieu dien bi ma tran thong ke co cac phan t trong c s
u n } la:
mn ( t ) = u m ( t ) u n = Cn ( t )C m ( t )

(VIII.51)

Vi toan t ( t ) , he thc (VIII.46) c viet:

Cn ( t)

= Cn ( t )C n ( t ) = nn ( t )
n

C n ( t ) = Tr ( t ) = 1

(VIII.52)

He thc (VIII.47) tr thanh:

A (t ) = Cn ( t )C m ( t ) A mn
n, m

n, m

u
u m ( t ) u n u n A
m

u
= u m ( t ) A
m
m

A (t ) = Tr [( t ).A ] .

(VIII.53)

Cuoi cung, phng trnh Schrdinger

d
( t )
ih
( t ) = H
dt
c bieu th bi toan t thong ke nh sau:
d
d

( t ) =
( t ) ( t ) + ( t )
( t )
dt
dt

dt

1
1

= H
( t ) ( t ) H
( t ) ( t ) ( t ) +
ih
( ih )
1
( t)
=
H ( t ) ( t ) ( t ) H
ih

(VIII.54)

d
1
( t ) =
H ( t ), ( t )
dt
ih

(VIII.55)

( t ), ( t ) la dau ngoac Poisson.

vi H
Phng trnh (VIII.55) tren la phng trnh Liouville di dang c hoc lng t; thay v dau
H
.
ngoac Poisson trong c hoc co ien, ay ta co giao hoan t H
Tom lai, vi toan t thong ke ( t ) , s bao toan xac suat c cho bi:
Tr ( t ) = 1 ,
(VIII.56)
gia tr trung bnh cua mot toan t quan sat c c tnh:
A (t ) = Tr [A( t )]Tr [( t ) A ] ,
(VIII.57)

va s tien hoa theo thi gian cua mot trang thai c bieu th bi:

d
( t ), ( t )
( t ) = H
(VIII.58)
dt
Ngoai ra, t nh ngha (VIII.56) cua toan t thong
ke, ta suy ra c:
( t ) la toan t hermitic:
ih

= ,

(VIII.59a)

= .

(VIII.59b)

hay
2 ( t ) = ( t )
(VIII.60)
Tr ( t ) = 1
(VIII.61)
Vi nh ngha cua toan t ( t ) , ta co the tnh c xac suat P(a n ) e phep o cua toan t quan
cho gia tr an. That vay, v:
sat c A
n =

gn

i =1

u in

vi

u in = Pn

gn

Pn = u in
i =1

u in

(VIII.62)

(VIII.63)

(i= 1, 2, , gn, gn la bac suy bien).

(Pn c goi la toan t hnh chieu).
cho gia tr an la
Theo mot tien e cua c hoc lng t, xac suat e toan t quan sat c A
gn

P (a n ) =

i =1

u in

(VIII.64)

Vay:

P (a n ) = Pn
T o, ta co:

P (a n ) = Tr [Pn( t )]

(VIII.65)
(VIII.66)

VIII.B.4 Toan t thong ke (trng hp hon hp thong ke)

Bay gi, ta xet trng hp tong quat, tc la ta co mot hon hp thong ke; trang thai cua he co the la
1 vi xac suat p1, hoac la 2 vi xac suat p2, , vi
0 p1, p2, , pk, 1

(VIII.67a)

pk = 1

(VIII.67b)

, neu vect trang thai la

Goi Pk(an) la xac suat e ta co ket qua an cua toan t quan sat c A
k :

Pk (a n ) = k Pn k

(VIII.68)

la
Vay, xac suat e ta co ket qua an cua toan t A

Pk (a n ) = p k Pk (a n )
k

Nhng v theo he thc (VIII.66) cua trng hp thuan nhat:

Pk (a n ) = Tr ( k Pn ) ,

(VIII.69)

k = k k

(VIII.70)

vi
la toan t thong ke tng ng vi trang thai k , nen:

P (a n ) = p k Tr ( k Pn ) = Tr p k k Pn .

Neu at:
= p k k

(VIII.71)

ta se co:

P (a n ) = Tr (Pn )

(VIII.72)

Nh vay, toan t c xem la toan t thong ke cua he, c tnh la gia tr trung bnh cua cac
toan t k . Ta cung co the viet:
= p k k = k p k k
k

(VIII.73)

He thc (VIII.73) tren co the c xem nh la he thc nh ngha cua toan t thong ke tng
ng vi mot hon hp thong ke.
Khi nay, gia tr trung bnh cua mot ai lng vat ly A c viet:
A A = Tr (A)

(VIII.74)

That vay, v theo nh ngha:

A = Pm m A
m
m

u u A

= Pm m A
i
i
m
m i

u
= u i m Pm m A
i
i m

u = Tr (A ) (= Tr ( A) ) .
= u i A
i
i

VIII.C Toan t thong ke trong vat ly thong ke

Trong phan cuoi cung nay cua chng, ta se xet cac ng dung cua toan t thong ke trong vat ly
thong ke. au tien, ta se bieu th cong thc nh ngha cua entropi thong ke va sau o, se viet lai cac
bieu thc cua cac phan bo thong ke theo toan t nay.
VIII.C.1 Entropi thong ke

a) nh ngha
Trong mot hon hp thong ke cua nhng trang thai thuan nhat, v moi trang thai lng t thuan nhat
khong c biet ro nen ta phai a vao cac phep tnh thong ke. Vay, ta phai tnh mc o thieu thong

tin cua hon hp nay, tc la phai a vao khai niem entropi thong ke c tnh theo toan t thong ke
(Xem them Chng I: Mo ta thong ke he v mo) nh sau:

S( ) = k.Tr ( ln )

(VIII.75)

That vay, vi phep tnh logarit cua toan t c nh ngha nh la toan t co cung vect rieng
vi toan t nay (vi cac tr rieng la logarit cua tr rieng cua ):
(ln ) i = (ln Pi ) i ,
ta co, trong mot c s { i

} bat k:

S( ) = k i ln i
i

= k i ln Pi i
i

= k i Pi ln Pi i .
i

Vay, ta tm lai c cong thc nh ngha cua

entropi thong ke:
S = k Pi ln Pi .
(VIII.76)
i

b) Tnh chat
S( ) 0 vi moi .
S( ) co gia tr cc tieu bang khong neu va ch neu mot trong cac tr rieng cua bang n v, tat
ca tr rieng khac bang khong, tc la neu va ch neu mo ta mot trang thai thuan nhat.
Goi la so chieu cua khong gian con cua
nhng vect trang thai mo ta he, khi cac trang thai la
ong xac suat, entropi thong ke co gia tr cc ai:
(VIII.78)
S( 0 ) = k ln .

Neu S( 1 ) va S( 2 ) la entropi thong ke cua cac he S1 va S2 tao thanh he S, entropi thong ke

cua S la ai lng cong tnh, tc la:
S( ) = S( 1 ) + S( 2 ) ,
(VIII.79)
vi S( ) la entropi cua S.
VIII.C.2 Mo ta trang thai v mo
Ta gia s rang cac trang thai vi mo dng cua he c xac nh, tc la ta biet c cac vect rieng
l cua toan t Hamilton cua he:

l = El l ,
H

(VIII.80)

trong o, E l la cac tr rieng, tng ng vi cac gia tr co the cua nang lng. Ta cung gia s rang cac

vect ket l la trc chuan:

l l = ll ,

(VIII.81)

va tap hp cac vect nay tao nen mot c s cua khong gian trang thai cua he, tc la ta co he thc
ong:
(VIII.82)
l l = 1 .
( l)

Nh vay, trang thai v mo cua he c ac trng bi tap hp {Pl } cua cac xac suat Pl e he

trang thai dng l , vi ieu kien chuan hoa:

Pl = 1 .

(VIII.83)

( l)

Vi hnh thc luan cua toan t mat o, trang thai v mo c ac trng bi {Pl } c mo ta bi

toan t mat o:
= Pl l l .

(VIII.84)

(l)

Khi nay, ieu kien chuan hoa (VIII.83) c viet:

Tr = 1

(VIII.85)

VIII.C.3 Toan t thong ke chnh tac

a) Toan t thong ke vi chnh tac

Khi he vat ly ta xet la he co lap, co nang lng xac nh la E vi sai so . Cac trang thai vi mo
kha d { l } la nhng trang thai l thoa ieu kien:
E E l E + E .

(VIII.86)

Goi la so cac trang thai kha d nay. Theo tien e c ban, trang thai can bang, cac trang thai
nay eu ong xac suat, tc la:
1

neu l thoa (VIII.86),

Pl =

Pl = 0 neu l khong kha d.

Vay, toan t thong ke cua phan bo vi chnh tac co
dang:
=

1
l l ,
(l )

(VIII.87)

theo (VIII.84).
Hay
1
l l
(l )

Neu ta goi
P =

(l )

(VIII.88)

(VIII.89)

l l

la toan t hnh chieu len khong gian con cac trang thai vi mo kha d, ta co:

1
P

(VIII.90)

Ta co the kiem chng rang thoa ieu kien chuan hoa. That vay, ta tnh vet cua trong c s
l :

Tr = l l =
Nhng v:

1
l P l

l P l =

(l )

l l l l = 1 neu l la kha d

=0

neu l la khong kha d

nen
Tr =

1
1
1 = . = 1

(l )

(ta co tong cua so hang).

b) Toan t thong ke chnh tac
Ta biet rang mot he S trang thai phan bo chnh tac khi can bang vi he ieu nhiet co nhiet o T,
xac suat cua cac trang thai dng la:
1
(VIII.91)
Pl = e E l
Z
trong o
Z = e E l
(VIII.92)
( l)

T he thc (VIII.94), ta co:

1
= e E l l l .
(l) Z

(VIII.93)

V Z la hang so:
1
= e E l l l .
Z ( l)

Va v ta co the nh ngha ham mu cua toan t (t cong thc khai trien chuoi cua ham mu), nen
t phng trnh tr rieng (VIII.80), ta co:

e H l = e E l l

(VIII.94)

That vay, neu nh ngha

1

= e H l l ,
Z (l)

(VIII.95)

1 H
e
l l.
Z
(l)

(VIII.96)

ta co the viet

=
ta co:

Va nh vay, do he thc ong (VIII.82), cuoi cung

1 H
e
Z

(VIII.97)

Va t ieu kien chuan hoa cho {Pl }, ta co cong thc tnh ham tong thong ke cua phan bo chnh

tac:

Z = Tr e H

(VIII.98)

c) Toan t thong ke chnh tac ln

Khi ta co he S trao oi hat va nang lng vi he tr hat R co nhiet o T va the hoa hoc , ta co
cac phng trnh cho cac trang thai dng l :

 l = El l
H
l = Nl l
N

(VIII.99b)

e ( E l N l )

(VIII.100)

(VIII.99a)

va N
la toan t Hamilton va toan t so hat.
vi H
Ta noi rang khi S can bang vi R, xac suat Pl e S trang thai l c cho bi:
Pl =
vi

Z = e ( E l N l )

(VIII.101)

(l)

T o, tng t vi phan bo chnh tac, ta cung suy ra c he thc tnh toan t thong ke cho
phan bo chnh tac ln:
=

e ( H N )

(VIII.102)

Vi Z la ham tong thong ke ln c tnh bi:

Z = Tr e ( H N )

(VIII.103)

V du: Ta xet trng hp mot hat t do co khoi lng m trong mot khoi lap phng kch thc L.
Toan t Hamilton cua hat c cho bi
2
2 2
2
2
= h 2 = h + +
(VIII.104)
H
2m
2m x 2 y 2 z 2
thoa ieu kien bien tuan hoan
trong khi ham rieng cua H
(x + L, y, z) = (x, y + L, z) = (x, y, z + L) = (x, y, z) (VIII.105)
se co dang
rr
r
1
(VIII.106)
( r ) = 3 / 2 e ikr ,
L
va tr rieng co dang
h2k 2
,
(VIII.107)
E=
2m
vi
r 2 r
(VIII.108)
k=
n .
L
r
( n la vect co cac thanh phan la cac so nguyen 0, 1, 2, )
Trong bieu dien toa o, e tnh ma tran thong ke
chnh tac, ta viet:
r H r
r
r
re
r = r E e E E r
E
(VIII.109)
r
r
= e E E ( r ) E ( r ) .
E

r
Vi E ( r ) cho bi (VIII.106), ta co:

r H r
1
re
r = 3
L

h 2 2 r r r
exp
2m k + ik( r r )
k

h 2 2 r r r r
exp
2m k + ik( r r )dk
(2 ) 3

m
=
2 h 2

T o, ta co

(VIII.110)

m r r 2
exp
( r r ) .
2

2h

( )

Tr e H = r e H r d r

3/ 2
(VIII.111)
m

=V
2 h 2

o la bieu thc cua ham tong thong ke cua mot hat trong mot hop co the tch V.
T cac he thc (VIII.110 va 111), ta co c cong thc tnh ma tran mat o:

1
m r r 2
r r
r r = exp
( r r ) .
(VIII.112)
2
V

2
h

Cuoi cung, ta hay th tnh gia tr trung bnh cua nang lng
2
)= h
H = Tr ( H
2 mV

1
=
2 V
=

m r r 2 r
exp
( r r ) d r
2
2 h

= 3 kT ,

m r r 2
m r r 2 r H

3 2 h 2 ( r r ) exp 2 h 2 ( r r ) d r
2

3
2

ket qua ma ta ch i.
theo cach khac:
(Ta cung co the tnh H

H )

= Tr ( H e
=
H
ln Tr ( e H ) .

Tr ( e
)

(VIII.114)

(VIII.113)

BAI TAP
BT VIII.1 Chng minh rang neu toan t thong ke thoa mot trong hai ieu kien:
(i) 2 =
(ii) Tr 2 = 1
th ta co trang thai thuan nhat.
BTVIII.2 Chng minh cac tnh chat sau cua toan t thong ke
1) toan t thong ke la hermitic.
2) toan t thong ke luon dng hay bang khong ( 0 , ).
BT VIII.3 Chng minh cac he thc (VIII.102, 103) cho toan t thong ke trong phan bo chnh tac ln

e ( H N ) ,

Z = e ( E l N l ) .
(l)

Chng IX

THONG KE LNG T: KH FERMI L TNG

IX.A Tnh chat tong quat
IX.B Kh Fermi l tng nhiet o thap
IX.C Kh electron trong kim loai

Trong chng nay va chng tiep theo, ta se xet cac he hat ong nhat va chu y en cac hieu ng
lng t mot cach chnh xac lien he en tien e oi xng trong c hoc lng t, ong thi gia s rang
tng tac gia cac hat la khong ang ke, tc la he hat c xem nh oc lap.
Can phai nhan manh rang gia thiet s oc lap gia cac hat rat t gap trong t nhien, v hieu ng
lng t ch xuat hien ro rang nhiet o rat thap va cac he vat ly ta gap rat hiem khi co the c xem
nh la he hat oc lap. Mot v du ma ta co the dung phep gan ung trng trung bnh e xem nh cac
he hat la oc lap la trng hp he cac electron trong mang tinh the, ma ta se xet chi tiet phan IX.C.

IX.A Tnh chat tong quat

IX.A.1 Khai niem kh Fermi l tng
He kh Fermi l tng la he cac hat ong nhat, oc lap, khong phan biet c va co spin ban
1 3
nguyen (s = , , ) tc la theo tien e oi xng trong c hoc lng t, co vect trang thai ket (hoac
2 2
la ham song trong bieu dien toa o) la phan oi xng. Vay, cac fermion tuan theo nguyen l loai tr
Pauli: hai fermion ong nhat khong the cung mot trang thai rieng le. Noi cach khac, so fermion
trong mot trang thai rieng le () ch co the la 0 hoac 1: N = 0, 1 . Vay, cac fermion phan bo theo
thong ke Fermi-Dirac.

1
, nen eu la cac fermion. oi vi mot nguyen t
2
trung hoa ve ien, th neu so cac hat cau thanh (gom electron, proton va neutron) la so le th se la
fermion, v du nh ong v 3He.
Cac electron, cac proton va neutron co spin s =

IX.A.2 Cac ai lng ac trng

a) So hat trung bnh mot trang thai rieng le ()
Theo he thc (V.26) cua chng V, ta biet rang so hat trung bnh chiem ong mot trang thai rieng
le () co nang lng c tnh:

N =

1
e

( )

+1

(IX.1)

1
va la the hoa hoc cua he, au tien khong co gia tr gii han nao.
kT
Vi bieu thc tren, ta co
0 N 1,
(IX.2)

trong o, =

nhan xet hoan toan hp l neu ta nh rang moi trang thai rieng le () ch co nhieu nhat la mot hat.

e khao sat s bien thien cua N ( ) theo mc nang lng , ta co the xem nh nang lng
bien thien lien tuc: , va khong b chan bi cac mc nang lng c ban 0. Khi nay ta co ham so
thc

.
e
+1
theo bien so thc va co cac tham so la va T.
ao ham cua ham so nay theo c tnh
dN ( )
e ( )
=
< 0
2
( )
d
e
+1

N ( ) =

( )

(IX.3)

(IX.4)

nen ham N() giam theo ; ieu co the hieu rang cac mc nang lng ln, so hat se t hn so vi so
hat mc nang lng thap.
ng tiem can ngang cua ham N() c xac nh bang cach cho : N ( ) 0 . Vay, ng
bieu dien N() nhan truc hoanh O lam ng tiem can ngang.
Ta de dang thay rang ng bieu dien co tam oi xng tai iem I( = , 1 ) va tai gia tr = ,
2
ng bieu dien co iem uon.
Vai tro cua tham so nhiet o T c xac nh bang cach cho T 0 + , tc la + . Khi nay

e ( ) + (tc la N ( ) 0 ) neu: > ,

e ( ) 0 +

(tc la N ( ) 1 ) neu: < .

Vay nhiet o T rat nho, ng bieu dien N() co dang bac thang tai = .
Ta co the hieu rang nhiet o T 0, cac mc nang lng < eu b chiem va cac mc nang
lng > eu bo trong. Khi nhiet o tang len, N ( ) 0 vi > nen mot so hat bat au chiem
cac mc nang lng ln hn the hoa hoc nay.

b) Cac ai lng chnh tac ln

So hat trung bnh cua he:

N = N =
( )

( ) e

1
( )

+1

(IX.5)

Ham tong thong ke ln:

Z =
( )

vi

(IX.6a)

eN ( ) = 1 +e( ) .

N = 0,1

1
1 N

(IX.6b)

Nang lng trung bnh cua he:

E = N =

( ) e

( )

( )

+1

(IX.7)

The ln:

J = kT ln Z = kT ln = kT ln
()
( )

J = kT ln(1 N ) .

(IX.8)

( )

Ap suat chnh tac ln:

J

=
p=
kT ln .
V
V

( )
p = kT

(ln ) .
V ( )

(IX.9)

Entropi chnh tac ln:

S=

J

=
kT ln
T
T
( )

S = k [(1 N ) ln(1 N ) + N ln N ] .

(IX.10)

( )

IX.A.3 Trng hp pho nang lng phan bo lien tuc

a) So trang thai vi mo kha d. Nang lng
Ta xet he hat ong nhat ma qui luat chuyen ong co the mo ta gan ung trong khong gian pha.
Goi g la bac suy bien cua moi mc nang lng. Khi nay, v cac mc nang lng xem nh phan bo lien
tuc nen ta co the tnh mat o trang thai tren mot n v nang lng. Bai toan nay co the giai chnh xac
bang cach xet ham song tng ng vi mot hat chuyen ong vi ieu kien bien (xem Van e I.C_Mat
o trang thai cua kh l tng).
Tuy nhien, e tm mat o trang thai cho mot hat, ta co the l luan mot cach n gian nh sau:
r r
Ta biet rang trong the tch pha nguyen to dqdp cua khong gian pha tng ng vi mot hat, so
r r
r
trang thai cua hat co toa o suy rong trong khoang ( q, q + dq ) va co ong lng trong khoang
r r
r
( p, p + dp ) c tnh:
r r
g r r
d ( q , p ) = 3 dqdp ,
h

(IX.11)

vi h = 2 h va g la bac suy bien cua mc nang lng tng ng.

r r
r
r
e co so trang thai co ong lng trong khoang ( p, p + dp ), ta lay tch phan theo bien q trong toan
the tch V:
r
g r r g r r
d( p) = 3 dqdp = 3 dp dq
h
Vh
V

r
Vg r
d( p) = 3 dp .
(IX.12)
h
e tnh so trang thai co o ln ong lng trong khoang ( p, p + dp ), ta dung he thc
r
(IX.13)
dp = dp x dp y dp z = p 2 sin dpdd

va lay tch phan trong toan khong gian theo va :

d( p) =

Vg
h3

2
p sin dpdd =

Vg
h3

p 2 dp sin d d

Hai tch phan cua ve phai c tnh de dang bang 4, va nh vay:

d( p) =

4Vg
h

p 2 dp

(IX.14)

at

4Vg
h3

(IX.15a)

(IX.15b)

ta co

d( p) = p 2 dp

e xet so trang thai d() co nang lng trong khoang ( , + d ) tng ng vi ong lng co
o ln trong khoang ( p, p + dp ) trong trng hp hat chuyen ong phi tng oi tnh, ta dung he thc
gia nang lng va ong lng:
p2
,
(IX.16)
=
2m
pdp
d =
.
(IX.17)
m
Thay gia tr cua p va dp tnh theo hai cong thc tren vao (IX.15), ta co

d() =

2Vg
h

(2m) 3 / 2 1 / 2 d

(IX.18)

at

=
ta co

2Vg
h3

( 2m) 3 / 2 ,

(IX.19a)

d() = 1 / 2 d

(IX.19b)

Can chu y rang cac he thc (IX.14, 15a, va 15b) co tnh tong quat, trong khi cac he thc (IX.18,
19a, va 19b) ch co gia tr cho trng hp co ien phi tng oi tnh. Neu chuyen ong cua hat la
tng oi tnh hoac sieu tng oi tnh, ta phai thay cac cong thc (IX.16) va (IX.17) bang cac cong
thc thch hp.
Khi trng hp chuyen ong phi tng oi tnh c ap dung, ta co cong thc tnh so hat cua he
suy ra t trng hp pho nang lng gian oan ( N = N ):
( )

N = N ()d()

(IX.20)

N =

1 / 2 d
e ( ) + 1

Va t he thc
E=

(IX.21)

N ,

( )

ta co
(IX.22)

E = N ()d()
E =

3 / 2 d

(IX.23)

e( ) + 1

Cac cong thc tren co c t nhan xet rang v d() la so trang thai co nang lng trong khoang
( , + d ) va N () la so hat trung bnh co nang lng , nen N ()d( ) phai la so hat co nang lng
phan bo trong khoang ( , + d ).

b) The ln
Phat xuat t he thc tnh the ln J trong trng hp cho nang lng phan bo gian oan (IX.8), ta co
cong thc sau trong trng hp pho nang lng phan bo lien tuc:
+

J = kT ln(1 N )d( ) .

(IX.24)

Vi bieu thc cua d( ) tnh theo (IX.19b), ta co

+

J = kT ln(1 N )1 / 2 d .

(IX.25)

e tnh tch phan trong cong thc tren, ta dung phng phap tch phan tng phan bang cach at:
v = ln(1 N )
2
du = 1 / 2 d u = 3 / 2
3
V
1

v = ln(1 N ) = ln
= ln(1 + e ( ) )
( )
1+ e

theo (IX.14), nen:

e ( ) d
dv =
= N d
1 + e ( )
Vay
+
+
J = kT vdu = kT uv 0 udv

0
0

2
= kT 3 / 2 ln(1 + e ( ) ) kT 3 / 2 Nd .
3 0
0
3
So hang au tien trong cong thc tren triet tieu v
lim 3 / 2 ln(1 + e ( ) ) = 0 .

Vay

2 3 / 2 d
J =
.
3 0 1 e( )

(IX.26)

So sanh bieu thc tren vi (IX.23), ta thay:

2
J= E
3

(IX.27)

c) Ap suat
e tm cong thc tong quat tnh ap suat cua he kh Fermi, ta xet he S la phan hp cua hai he nho
S 1 va S 2: S = S 1 S 2. V the ln la ai lng cong tnh nen neu goi J la the ln cua S va J1, J2 la
the ln cua S 1, S 2, ta co
J = J1 + J 2 .
Do o, neu ta co the tch V cua mot he c phan lam phan nho, moi phan co the tch V, ta se
co
J (T, , V ) J (T, , V) = J (T, , V) .
Vay
J (T, , V )

(IX.28)
=
[J (T, , V )] = J (T, , V ) .

Mat khac, ta cung co

J (T, , V ) J (T, , V ) V
J (T, , V )
=
= V

V
Nhng ta biet rang ap suat chnh tac ln c tnh theo cong thc:
J (T, , V )
,
p=
V
nen
J (T, , V )
(IX.29)
= pV .

So sanh (IX.28) vi (IX.29), ta co:

p=

J
V

(IX.30a)

Vay, t he thc tnh the ln theo nang lng (IX.27), ta co

p=

2E
3V

(IX.30b)

cho phep tnh ap suat cua he mot khi nang lng cua he c xac nh.

d) Gii han co ien cua he kh Fermi

Can nh rang cac hieu ng lng t cua he hat fermion ch bieu hien ro nhiet o thap, con vi
ieu kien nhiet o cao, ta phai tm lai ket qua cua he kh co ien. That vay, trong trng hp
e ( ) >> 1 vi moi gia tr > 0, t cong thc (IX.21) tnh so hat cua he:
+

N =

ta co c:

1 / 2 d
e ( ) + 1

N = e 1 / 2 e d = e 1 / 2 e d .

(IX.31)

Ta gia s phep tnh co o chnh xac u ln vi 0 = 0. Khi nay, bang cach at bien so phu:
y = ( )

, tch phan trong bieu thc tren c tnh:

I=

1 / 2
e d =

3/ 2

y 2 e y dy .

S dung tch phan Poisson, ta co

2
.
I = 3/ 2
4

Vay
N=

e
2 3 / 2

Cong thc nay cho phep ta tnh the hoa hoc:

2 3 / 2
e = N
,
(IX.32a)

3/ 2
V
m
= kT ln ( 2s + 1)
(IX.32b)

2h 2
N
bang cach thay gia tr cua t cong thc (IX.19a), vi
g = 2s+1.
Tng t tren, ta co the tnh nang lng E t cong thc (IX.23):
+

E = e 3 / 2 e d .

(IX.33)

Cac cong thc cua tch phan Poisson cho:

+

3 / 2
e d =
0

E=

5/ 2

3 e

45 / 2

y 4 e y dy =

5/ 2

3
.
8

(IX.34)

S dung he thc (IX.34a) cua e , ta co

3
2 3 / 2 3 N
E = 5 / 2 ..N
,
=
2
4
tc la

3
NkT ,
2
ket qua ma ta a biet cua c hoc thong ke co ien.
E=

(IX.35)

ong thi, t he thc tong quat (IX.30b) tnh ap suat p theo E: p =

trnh trang thai cua kh l tng:
pV = NkT .

(IX.36)

2E
, ta suy ra lai c phng
3V

IX.B Kh Fermi l tng nhiet o thap

Ta a thay tren la trong trng hp nhiet o cao, thong ke Fermi-Dirac tr thanh thong ke
Maxwell-Boltzmann, tc la tr thanh kh l tng co ien, ma ta tm lai c cac ket qua trung hp vi
ket qua a co c vi c hoc thong ke co ien. e thay ro cac hieu ng lng t, ta can xet he kh
nhiet o thap. au tien , ta se xet trng hp gii han nhiet o tuyet oi rat nho, co the xem nh bang
khong, va sau o se xet trng hp nhiet o thap.

IX.B.1 Kh Fermi l tng hoan toan suy bien

a) Mc nang lng Fermi
Ta xet trng hp nhiet o u thap ( u ln) e co the xem nh tha so Fermi
e ( ) + neu > ,
va

e ( ) neu < ,
tc la so hat trung bnh trang thai () c tnh:
N 0 + neu > ,
va

N 1

neu < .

Khi nay ng bieu dien N ( ) theo nang lng co dang bac thang tai gia tr = 0 . Gia tr ac
biet nay cua the hoa hoc, tai o ham N ( ) gian oan, c goi la mc Fermi. Vay, mc Fermi c
nh ngha la the hoa hoc nhiet o khong tuyet oi. Va khi nay, he kh Fermi c goi la kh Fermi
hoan toan suy bien.
Y ngha vat l cua hien tng tren co the c hieu la nhiet o khong, tat ca cac mc nang lng
nho hn F = 0 eu b chiem, trong khi tat ca cac mc nang lng ln hn F eu bo trong. Va khi
nhiet o tang len th mot so hat se bat au chiem mc nang lng ln hn mc Fermi.
Vay, so hat tong cong cua he c tnh theo cong thc (IX.19b):

N = Nd( ) =

1/ 2

d() =

d .

(IX.37a)

Tch phan ve phai cua phng trnh tren tnh de dang cho
N =

2
30 / 2
3

(IX.37b)

T cong thc tnh (IX.19a), ta co cong thc tnh mc Fermi:

2/3 .
h 2 6 2 N
.
2m 2s + 1 V
Ta thng dungcong thc sau:

0 =

(IX.38)

1/ 3

6 2 N
KF =
. ,
2s + 1 V

trong o, KF la vect song Fermi c nh ngha bi

(IX.39a)

0 =

h 2 K 2F
.
2m

(IX.39b)

Chu thch:
r
Ta co the hieu khai niem vect song K nh sau:
Xet mot hat chuyen ong t do (khong tng tac vi cac hat khac) trong mot the tch V. au
tien, ta se khong xet en tac dung cua trng the. Gia s hat la phi tng oi tnh co khoi lng m va
r
r
ong lng p . Khi nay, ham song ( r , t ) cua hat phai co dang song phang:
rr
r
r
( r , t ) = Ae i( Kr t ) = ( r ).e it
(IX.40)
r
truyen i theo phng cua vect song K va co bien o A. Nang lng cua hat lien he vi tan so goc
qua bieu thc:
= h .
(IX.41)
r
That vay, ham song ( r , t ) phai thoa phng trnh Schrdinger:

= H .
(IX.42)
ih
t
ch lien he en
V ta co the xem nh the nang trong the tch V bang khong, toan t Hamilton H
ong nang cua hat:
2
= 1 p 2 = 1 ( ih ) 2 = h ,
(IX.43)
H
2m
2m
2m
vi
2
2
2
= 2 = 2 + 2 + 2 .
(IX.44)
x
y
z
at
r
( r , t ) = e it = e (i h)t
(IX.45)
trong o, khong phu thuoc thi gian t. Khi o, phng trnh Schrdinger (IX.42) cho ta phng trnh
Schrdinger khong phu thuoc thi gian:
= ,
H
(IX.46)
hay
2 m
+ 2 = 0 .
(IX.47)
h
Phng trnh (IX.46) chng to rang ai lng tng ng vi cac gia tr rieng co the co c

cua H va do o, chnh la nang lng cua hat.

Phng trnh (IX.47) co nghiem tong quat:
i( K x + K y + K z )

rr

y
z
= Ae x
= Ae iK r ,
(IX.48)
r
vi K la vect hang (co cac thanh phan Kx, Ky va Kz) va c goi la vect song. Thay (IX.48) vao
(IX.47), ta thay (IX.47) c thoa neu:
2 m
( K 2x + K 2y + K 2z ) + 2 = 0
h
tc la:
h2K2
=
.
(IX.49)
2m
Bi v
r
p = ih = hK ,

ta co

r
(IX.50)
p = hK .
r
Tom lai, mot hat t do co nang lng va ong lng p tng ng vi mot song phang co tan
r
r
so goc va vect song K lien he vi va p qua cac he thc Planck-Einstein sau:
= h
r
p = hK ,
tc la
h2K2
p2
=
=
.
(IX.51)
2m
2m
Chnh he thc nay cho phep ta nh ngha vect song Fermi trong bieu thc (IX.39a) tren.
r
Theo nhan xet tren ve mc Fermi 0 , ta thay rang trong khong gian K , cac vect song co o

ln nho hn KF se tng ng vi tat ca cac trang thai rieng le b chiem ong tai nhiet o T = 0, va cac
r
vect song co o ln ln hn KF tng ng vi cac trang thai trong. Vay, trong khong gian K nay, neu
ta ve mat cau ban knh KF, mat cau nay se phan chia cac trang thai b chiem vi cac trang thai trong.
Hnh cau ban knh KF nay c goi la hnh cau Fermi.
ong lng Fermi, ng nhien c nh ngha: p F = hK F .
T nh ngha cua mc Fermi 0 , ta co the nh ngha nhiet o Fermi TF (hay nhiet o suy bien)
bi he thc:
kTF = 0

(IX.52)

Ta se thay rang phep tnh gan ung nhiet o khong tuyet oi ay se ch nghiem ung neu nhiet
o cua he la rat nho oi vi nhiet o Fermi:
(IX.53)
T << TF .

b) Nang lng toan phan

Khi nhiet o cua he gan bang khong, nang lng toan phan cua he c tnh t he thc (IX.22) va
(IX.19b):

E 0 = N ()d() =

3/ 2
d() = d

2
E 0 = 50 / 2 .
5
Nh vay:

(IX.54)

E0 =

3
NkTF
5

(IX.55)

Gia tr nay cua nang lng ac trng cho mc nang lng c ban cua he, la mot he qua cua
nguyen l loai tr Pauli.
Cung nh trong cac nguyen t, he N cac fermion oc lap c xep trong N trang thai rieng le co
nang lng thap nhat co the.
c) Ap suat lng t
T cong thc tong quat (IX.30b) e tnh ap suat, nhan xet rang v nang lng cua he cho bi
(IX.55), ta co cong thc:

p0 =

2 E0 2 N
4 5 / 2
=
kTF =
0 .
3 V 5V
15 V

(IX.56)

Hay la
2/3

4 2 3 N 5 / 2

.
(IX.57)
2s + 1 2 V

Vay, ngay ca nhiet o gan nhiet o khong, ap suat Fermi l tng cung van khong triet tieu, ma
co gia tr p0 c tnh tren, c goi la ap suat lng t. ay cung la mot he qua cua nguyen l loai
tr Pauli: nhiet o T = 0, cung co nhng fermion co ong lng khac khong (co gia tr trong
khoang 0 va gia tr tng ng vi ong lng Fermi: p F = hK F ), nen van ton tai cac va cham cua cac
2 h2
p0 =
15 m

hat nay vi vach ngan tao nen ap suat.

IX.B.2 Kh Fermi l tng suy bien

Trong phan nay, ta xet trng hp nhiet o T cua he u thap (nang lng ac trng kT u nho) e
ta co the tnh gan ung mot so tch phan co dang:
I=

N()()d

(IX.58)

trong o:
1

(IX.59)
e ( ) + 1
c goi la ham Fermi.
Vi ieu kien ham () lien tuc eu va kha vi cho 0 , ta co c (xem phan phu luc):
N ( ) =

I = ()d +
0

2
d
( kT) 2 + O(T 4 ) .
6
d

(IX.60)

a) The hoa hoc

S dung cong thc tong quat (IX.21) tnh so hat N cua he:
+

N =

1 / 2 d
e ( ) + 1

ta thay (IX.60) c ap dung vi

() = 1 / 2
cho ta ket qua
2

2
1 1
N = 3 / 2 +
( kT) 2 2 + O(T 4 ) .
6
2

(IX.61)

Nhng t cong thc (IX.37b) tnh N theo mc Fermi: N =

= 0 [1 + aT 2 + O(T 4 )] ,

va tm c:
2
a=
12

T o:

2
30 / 2 , ta co the at
3

 2 kT 2

+ O(T 4 ) .
(IX.62)
= 0 1
12 0

Hay ta cung tnh c the hoa hoc nay theo nhiet o Fermi TF:
2 T 2
T
+ O( ) 4 .
(IX.63)
= kTF 1
TF
12 TF

b) Nang lng toan phan va nhiet dung nhiet o thap

Tng t tren khi tnh the hoa hoc , ta dung he thc (IX.23) tnh nang lng toan phan E trong
trng hp tong quat
+

E =

3 / 2 d
e ( ) + 1

va cong thc gan ung (IX.60) vi

() = 3 / 2 ,
ta co

d( 3 / 2 )
2
4
E = 3 / 2d +
( kT) 2
O
(
T
)
+

6
0

2
2

3
(IX.64)
E = 5 / 2 +
( kT) 2 1 / 2 + O(T 4 ) .
6
2
5

Dung he thc (IX.62) cho , ta co

5 2 kT 2
3
(IX.65)
+ O(T 4 ) .
E = N 0 1 +
5
12 0

Hoac tnh theo nhiet o Fermi va nang lng toan phan E0 T = 0:

4
5 2 T 2
T
(IX.66)
+ O
E = E 0 1 +
12 TF

TF
E
He thc tnh nhiet dung ang tch nhiet o thap co c t C V = :
F V
2
5 2 k
2 k 2
3
2T + O(T 3 ) =
(IX.67)
C V = N 0
T
5
12 0
2 02

Tc la nhiet o thap, nhiet dung t le vi nhiet o, hoan toan khac vi ket qua ta a co oi vi
3
kh l tng co ien: C V = Nk oc lap vi nhiet o. ieu nay cho thay gii han ap dung cho phep
2
gan ung co ien la vi nhiet o phai u cao.

IX.B.3 ieu kien ap dung cho phep tnh gan ung nhiet o khong
So sanh cac he thc (IX.52, 55) e tnh the hoa hoc va nang lng toan phan phep tnh gan ung
nhiet o khong va cac he thc (IX.63, 66) e tnh cac ai lng nay nhiet o thap. Ta thay cac cong
thc nay trung nhau vi ieu kien:
T << TF .

Tc la phep tnh gan ung nhiet o khong co gia tr neu nhiet o cua he rat nho so vi nhiet o
Fermi

h 2 6 2 N
TF =
2mk 2s + 1 V

2/3

(IX.68)

Ta nhan xet rang nhiet o Fermi tang theo mat o hat N/V va t le nghch vi khoi lng m cua
hat, tc la phep tnh gan ung nhiet o khong cang chnh xac khi he kh cang am ac va hat cau tao
nen he kh co khoi lng cang nho. Cac ieu kien tren cho phep ta xac nh c phep tnh gan ung
nhiet o khong c ap dung vi o chnh xac tng oi.

IX.C Kh electron trong kim loai

IX.C.1 Mo hnh cac electron t do, oc lap trong kim loai

Kim loai c cau tao bi cac ion hau nh ng yen va cac electron bat nh x (tc la ham song
tng ng trai tren suot the tch cua kim loai). Ca he la trung hoa ve ien. Phng phap tnh gan ung
n gian nhat la xem nh bo qua c cac tng tac cua electron vi cac ion mang tinh the (cac
electron xem nh cac hat t do) va tng tac gia cac electron vi nhau (cac electron la oc lap nhau).
Vi cac gia thiet nay th cac electron xem nh la tao nen mot he kh Fermi t do trong the tch V cua
kim loai, va nh vay, ta co the s dung cac ket qua nh lng a co muc IX.B tren cho cac
electron trong kim loai.
Can biet rang phep tnh gan ung cac electron oc lap tren thuoc loai phep gan ung trng
trung bnh: ta xem nh moi electron chu tac dung cua mot the trung bnh tao bi cac ion nh x nut
cua mang tinh the va cua tat ca cac electron khac (co phan bo ien tch lien tuc). The trung bnh nay
d nhien la co tnh chu ky cua mang tinh the. Phep gan ung nay cho cac ket qua tng oi chnh xac
cho nhng trang thai co nang lng quanh mc Fermi (vi sai so khoang kT). Ngi ta chng minh
c rang trong nhng ieu kien neu tren, cac electron tng tac co the xem nh cac chuan hat hau
nh oc lap, va, cac hat ma ta goi la electron tren that ra la cac chuan hat e co the xem nh la oc
lap.
Ngoai ra, phep gan ung electron t do gia thiet rang mang tinh the c thay the bi s phan bo
eu ien tch. Nh vay, moi electron chuyen ong trong moi trng ma mat o ien tch bang khong
do s bu tr gia phan bo do ion va phan bo cua cac electron khac
(Phan bo ien tch ion co the xem nh lien tuc neu bc song lng t cua cac electron rat ln so
vi bc cua mang tinh the: >> a ).

IX.C.2 Cac ai lng ac trng

Goi ZV la so electron hoa tr cua moi nguyen t kim loai, chnh so electron nay tr thanh cac
electron dan tao thanh he kh Fermi. Goi A la khoi lng nguyen t va la khoi lng rieng cua kim
loai, nh vay, moi n v the tch co cha /A mol. Moi mol lai co N A = 6,02.10 23 nguyen t va moi
nguyen t cung cap ZV electron dan nen mat o electron la

(IX.69)
n = ZV N A
A
o ln cua n la vao khoang 1023 cm-3 (xem bang IX.1), tc la khoang 1000 lan ln hn mat o kh
co ien ieu kien thong thng.

Nguyen
to
Li
Na
K
Cu
Ag
Au
Mg
Fe
Al
Pb

ZV

n
(10 cm-3)
4,7
2,6
1,4
8,5
5,8
5,9
8,6
17,0
18,1
13,2
22

1
1
1
1
1
1
2
2
3
4

rs
()
1,7
2,1
2,6
1,4
1,6
1,6
1,4
1,1
1,1
1,2

vF
(10 cm/s)
1,3
1,1
0,9
1,6
1,4
1,4
1,6
2,0
2,0
1,8
6

0
(eV)
4,7
3,2
2,1
7,0
5,5
5,5
7,1
11,1
11,7
9,5

TF
(104 K)
5,5
3,8
2,5
8,2
6,4
6,4
8,2
13,0
13,6
11,0

Bang IX.1 (B.Diu et al)

Trong bang tren, ta thay co neu ra ai lng rs, c nh ngha la ban knh khoi cau cha trung
bnh mot electron, tc la co the tch bang 1/n:
1/ 3

3
(IX.70)
rs =
.
4 n
o ln cua rs cua he kh electron trong kim loai la vao khoang vai .
ai lng vF la van toc Fermi, tc la van toc cua mot electron co nang lng Fermi c tnh bi:
hK F
vF =
,
(IX.71)
me

co o ln ang ke, bang khoang 1% van toc anh sang trong chan khong.
Cac gia tr cua mc Fermi va nhiet o Fermi c tnh theo cac cong thc:
h 2 K 2F
,
(IX.72)
0 =
2m e
va
0 h 2 K 2F
.
TF =
=
k
2km e

(IX.73)

Ta thay oi vi kim loai, TF co gia tr nho nhat la vao khoang 104. Tc la nhiet o T thong
thng, ta co T << TF: cac electron dan trong kim loai tao thanh he kh Fermi suy bien nhiet o ma
kim loai con the ran.
Nh ta a thay qua he thc (IX.67), nhiet dung cua he kh electron t le vi nhiet o. Tuy nhien,
can nh rang s ong gop vao nhiet dung chu yeu do dao ong cua cac ion nut mang tinh the, con
anh hng cua he kh electron ch thay ro nhiet o thap.
IX.C.3 Hieu ng nhiet ion. nh luat Richardson- Dushman
E

x
z

0
O

H.IX.2

H.IX.3

Mac du c xem nh chuyen ong hau nh t do trong the tch V cua kim loai, ngay khi en gan
be mat kim loai nay, cac electron chu tac dung cua hang rao the co o ln W. Ch co nhng electron
co ong nang u ln mi vt qua khoi hang rao the nay va ra khoi kim loai. nhiet o thong thng,
so electron nay rat t. Tuy nhien, khi nhiet o cua he ln hn, so electron ra khoi be mat kim loai tr
nen ang ke. o la hieu ng nhiet ion ma ta se khao sat nh lng ay:
r
r
r
r
Theo cong thc (IX.12), so electron co ong lng trong khoang p va p + dp vi dp = dp x dp y dp z
c tnh:

r
r
dN ( p) = N ( )d( p) ,

(IX.74)

vi

N ( ) =
va

1
e

( 0 )

+1

(IX.75)

r
Vg r 2 V
d( p) = 3 dp = 3 dp x dp y dp z ,
(IX.76)
h
h
v oi vi electron, bac suy bien g c tnh:
1
g = 2s + 1 = 2 + 1 = 2 .
2
1
(do spin cua electron bang s = ).
2
S phan bo cua electron theo px c tnh:
dp y dp z
2V
dN ( p x ) =
dp x
.
(IX.77)
3
( 0 )
h
e
+1
Nhng trong he toa o cc tng ng vi he truc Descartes cua (py, pz):
dp y dp z = p dp d .
(IX.78)

Vay
dN ( p x ) =

2 Vdp x
h

p= 0 = 0

p dp d
e

( 0 )

+1

(IX.79)

Vi nang lng c tnh:

p 2 p2
p2
.
=
= x +
2m 2m 2m

(IX.80)

e ( 0 ) = e 0 e = e 0 e (p x / 2 m + p
e ( 0 ) = Ae u
trong o:
2

A = e (p x / 2 m 0 ) ,
2

/ 2m

)
(IX.81)
(IX.82a)

va

p 2
.
2m
Do o, phng trnh (IX.79) c viet:

4Vdp x
pdp
.
dN ( p x ) =
3

h
Ae u + 1
0
u=

(IX.82b)

(IX.83)

du =
ta co

dN ( p x ) =

p dp ,
m

4 Vdp x m du
.
0 Ae u + 1
h3

at tch phan trong ve phai la:

I=

du

e u du

Ae u + 1 A + e u
=

(IX.84)

= ln( A + e u ) 0

I = ln(A + 1) ln( A)
1

I = ln1 + .
(IX.85)
A

Vay
4 mkTV
1
dN ( p x ) =
ln1 + dp x .
(IX.86)
3
A

h
Mat o so electron theo phng px c tnh:
dN ( p x ) 4 mkT
1
=
ln1 + dp x
(IX.87)
3
V
A

h
r
V sau thi gian dt, mat o so electron vt qua mot dien tch S vuong goc vi thanh phan p x i la
dN ( p x )
,
(IX.88)
v x dtS
V
nen mat o ien tch c tnh bi:
dN ( p x )
dQ x = ev x dtS
(IX.89)
V
va mat o dong ien tch c tnh
dQ x
dN ( p x ) e
dN ( p x )
dJ x =
= ev x
= px
.
(IX.90)
Sdt
V
m
V
dN ( p x )
Vi
tnh theo (IX.87), ta co
V
4ekT
1

(IX.91)
dJ x =
p
dp
ln
1
+
.

x
x
A

h3
Goi x la nang lng tng ng vi thanh phan px cua ong lng:
x =

p 2x
2m

d x =

Vay

(IX.92a)
p x dp x
m

4emkT

(IX.92b)

ln1 + d x .
(IX.93)
A

h
e electron co the thoat ra khoi be mat kim loai, ta phai co x W , vi W la gieng the sinh ra
do cac ion trong mang tinh the, nen mat o dong ien tch bao hoa theo phng vuong goc vi be mat
nay la
dJ x =

J sat =

4 emkT
h

ln1 + d x ,
A
W

(IX.94)

vi

2
A = e (p x / 2 m 0 ) = e ( x 0 ) .
(IX.95)
V ch nhng electron co nang lng u ln mi thoat c ra khoi be mat kim loai
1 1

(IX.96)
( 0 x ) >> 1 ln1 + = e( 0 x )
A A
Vay, phng trnh (IX.94) tr thanh

J sat =
J sat

4emkT

( 0 x )

d x
h
W

4 emkT 1
=
e ( 0 x ) W
3

h
3

J sat =

4emk 2
h

(IX.97)

T 2 e ( 0 + W ) .

(IX.98)

Nhng v
W = 0 + ,

(IX.99)

vi la cong thoat, nen ta co

J sat =

4emk 2
h

T 2e kT

(IX.100)

Cong thc tren chng to rang mat o dong ien tch bao hoa Jsat t le vi T 2e kT . o la noi dung
cua nh luat Richardson-Dushman ve hien tng nhiet ion.

BAI TAP
BT IX.1 Chng minh rang ng bieu dien cua ham Fermi theo nang lng vi cac tham so T va :

N ( , T, ) =

1
e ( ) + 1

nhan iem I(,1 / 2) lam tam oi xng.

BT IX.2 Hay chng minh he thc (IX.10):

S = k [(1 N ) ln(1 N ) + N ln N ]
( )

cho entropi cua phan bo chnh tac ln.

BT IX.3 Hay chng minh cac he thc (IX.64 va 67) cho the hoa hoc va nang lng cua kh Fermi suy bien:

2 kT 2

+ O(T 4 )
1) = 0 1
12 0

2
2

3
3
5 kT
+ O(T 4 ) , vi E 0 = N 0 .
2) E = N 0 1 +
12 0
5
5

BT IX.4 Biet rang nang lng cua mot hat tng oi tnh co khoi lng tnh m0 va ong lng p c tnh:

= c m 02 c 2 + p 2 .

Xet trng hp van toc cua hat la rat ln: p >> m 0 c (chuyen ong sieu tng oi tnh). Hay tnh:
Mc nang lng Fermi 0 = F va nang lng toan phan E0 cua he kh Fermi l tng hoan toan suy
bien.
BT IX.5 Xet cac electron dan trong ong c xem nh he kh Fermi l tng hoan toan suy bien.
1) Dung cong thc tnh so trang thai d( p) co o ln ong lng trong khoang (p, p+dp) e tnh trc
tiep ong lng Fermi pF. Suy ra cong thc tnh mc Fermi 0 = F .
2) Cac nh gia tr so 0 = F oi vi cac electron dan trong ong. Cho biet khoi lng rieng cua ong
la = 9 10 3 kg / m 3 . Khoi lng nguyen t cua ong la 63,6 g/mol, va moi nguyen t

ong cho mot

electron dan. Cho biet: h = 6,62 10 34 J.s, k = 1,38 10 23 J/K.

3) Giai thch tai sao ngay ca nhiet o 103 K, thong ke Maxwell-Boltzmann van khong the ap dung
c cho cac electron dan trong ong, neu ta gia s rang mc Fermi 0 = F khong thay oi theo nhiet o.

VAN E IX.A
Ap dung cua thong ke Fermi-Dirac trong vat ly thien van: tnh ap suat lng t trong sao lun trang
(e thi hoc ky mon Vat ly Thong ke, Ly 4, nam hoc 2000-2001)

N
1.5 1030 cm 3 va
V
kh gom nhng ion vi mat o hat co o ln tng ng. Nhiet o cua sao nay vao khoang T 107 K . Do mat

Sao lun trang (LT) gom hai kh xem nh tach biet nhau: kh electron co mat o hat

o hat co o ln ang ke nh tren, ap suat do lc hap dan trong sao co khuynh hng lam cho the tch sao co
rut lai la rat ln. Nhng nghien cu gan ay cho thay ap suat nay c can bang vi ap suat lng t cua kh
electron tao nen sao lam cho sao LT c ben vng (S. Chandrasekhar, giai Nobel Vat ly 1983). Trong phan
sau, ta se xet mot mo hnh n gian cua sao LT nham giai thch s ben vng cua sao nay. Ta se ch e y en
kh electron, vi spin cua electron bang s =

1
.
2

A/ Kh electron hoan toan suy bien trong sao LT.

Gia s he kh electron la kh ly tng co pho nang lng la lien tuc.
1/ Chng minh rang so trang thai tng ng vi o ln cua ong lng cua electron trong khoang p va p+dp c

d ( p ) =

4 Vg
h

p 2 dp (*),

vi g = 2s + 1 la bac suy bien cua electron va h la hang so Planck.

2/ Xet trng hp cac electron la cac hat phi tng oi tnh co khoi lng la m.
a/ T (*), hay suy ra so trang thai tng ng vi nang lng co gia tr trong khoang va + d la:

d( ) =

2 Vg
h

(2m )3 / 2 1 / 2d .

b/ T cong thc tnh so hat toan phan N cua he kh Fermi, hay tm lai bieu thc sau cho nhiet o Fermi:

h2 2 N
TF =
3

2 mk
V

2/3

trong o m = 9.1 10 31 kg va h = 1.06 10 34 J.s . Hay tnh gia tr so cua TF .

3/ Xet trng hp cac electron la cac hat sieu tng oi tnh, ngha la ong lng cua electron

p >> mc , c la van toc anh sang trong chan khong: c = 3 108 m / s , khi o, nang lng cua moi electron c
tnh = pc . Chng minh rang nhiet o Fermi bay gi la:
1/ 3

hc 2 N
.
3
k
V
Tnh gia tr so cua TF trong trng hp nay.
TF =

Ket luan: t cac gia tr cua TF tnh trong hai trng hp phi tng oi tnh va sieu tng oi tnh, ta eu
co T / TF << 1 . Vay, trong ca hai trng hp, kh electron trong sao LT eu c xem la kh Fermi ly tng
hoan toan suy bien.
B/ Ap suat lng t cua kh electron.
Ta xet trng hp kh electron trong sao LT la kh Fermi ly tng tng oi tnh vi moi electron co
nang lng =

p2c 2 + m 2c4 .

1/ T cong thc tong quat cua the ln J khi pho nang lng la lien tuc, dung tch phan tng phan e suy
ra rang:

J=

V
2 3

3 h

N () dpp

dp

vi N ( ) la so hat trung bnh trang thai co nang lng va

d
la ao ham cua theo p.
dp

2/ Cho rang kh electron la hoan toan suy bien co nang lng Fermi F ng vi ong lng Fermi p F .
Chng minh rang ap suat lng t cua he c tnh:

P=

c2

pF

3 2 h 3

p 4 dp
p 2c 2 + m 2c 4

Suy ra cong thc gan ung P

m2c2
4
p
vi p >> mc .
F 1
12 2 h 3
p 2F

3/ Dung cong thc tnh so electron toan phan N e tnh ong lng Fermi p F theo N/V. T o, chng
minh rang:

hc

4 / 3
m 2c 2 R 2
1 2 2 / 3 2 / 3 ,

R 4
h

12 2 / 3
9M
vi =
, M la khoi lng cua sao xem nh khoi cau ban knh R, m p la khoi lng cua proton, lien he vi
8m p
so electron N qua he thc N =

M
.
2m p

Chnh ap suat lng t P nay a can bang vi ap suat hap dan PG : P + PG = 0 , e tao nen s ben
vng cua sao LT. Chu y rang t nhng ket qua tren, ta co the tm c cong thc noi tieng cua gii han
Chandrasekhar, xac nh giai oan cuoi cua qua trnh tien hoa cua mot ngoi sao; nhng sao co khoi lng con
lai (sau khi a can het nhien lieu cho phan ng hat nhan) nho hn gii han Chandrasekhar se tr thanh sao LT,
va neu vt qua gii han nay se tr thanh sao neutron hay lo en trong vu tru.