METTI IV – Thermal Measurements

and Inverse Techniques

Rio de Janeiro, Brazil, 2009

Lecture C1A

Modelling
g in heat transfer

Jean-Luc Battaglia Denis Maillet

Laboratoire TRansferts Ecoulements Fluides Laboratoire d’Energétique
g q et de Mécanique
q
Energétique (TREFLE) – Bordeaux - France Théorique et Appliquée (LEMTA) – Nancy - France

Jean-luc.battaglia@bordeaux.ensam.fr denis.maillet@ensem.inpl-nancy.fr

Outline:

1 - Heat transfer at the nanoscale

2 - Heat transfer in heterogeneous media
3 - Physical system, model, direct and inverse problems
4 - Heat source modelling
 Part 1: The pertinent definition of a model
for inversion of temperature measurements

METTI IV – Thermal Measurements and Inverse Techniques. Rio de Janeiro, Brazil, 2009 2
Inverse thermal problems: the philosophy
Thermal disturbance (heat flux φ(t))
Material (βj)
Thermal sensor (thermocouple) at
point P, y(t)
y ( t ) = T ( P, t ) + e ( t )
•Estimate the heat flux knowing βj
and measuring y(t)
•Estimate the βj knowing the heat
flux and measuring y(t)
In both cases you have to
define a relationship F()
(model structure) as:
T ( P , t ) = F {φ ( t ) , β i }
This is the Direct Problem
3
 Why worrying about the model formulation?
φ (t )
l τ
t
a0 Lattice Heterogeneous material
β

σ
l

l = n × a0 τ l2 α τ lβ 2 α β τ lσ 2 α σ
4
Estimation of thermal properties in these two
configurations (T&C team of TREFLE)

Nanoelectronics
N l t i (non
( volatile
l til memory
based on phase change chalcogenide
alloy)
Energy storage (double porosity carbon
graphite / salt porous media with PCM) 5
 Model at the nanoscale
free electrons
lattice
Interactions between
ions ions in the lattice

L Influence with free e-

•What is temperature ?

•What
What is the heat flux ?

•What is the specific heat ?

•What is the conductivity ?

6
 Temperature
p at the nanoscale 1

Insulated system
y •“Independent” particles

•Classical approximation (no

quantum effects)

h 1
d0 = λB
d0 p0 2 π

particle

2 One can define a

v 3
ε = m = kB T t
temperature
t for
f each
h
particle that is the same for
2 2 the other ones

7
 Temperature at the nanoscale 2
Mean free path (mfp) of the particles: the average distance traversed by a
particle between 2 successive collisions.

In thermal non equilibrium configuration, the mfp varies according to the

energy (the
(th ttemperature)
t ) off the
th particles.
ti l
8
 Temperature at the nanoscale 3
In solids (and liquids)
particles are inter dependent

Harmonic approximation (small displacements around the equilibrium location)

K k a
ωi = 2 i i
sin
M 2

Reality is obviously more complex

Si 9
 Temperature at the nanoscale 4

The total energy is the sum of the energies of each oscillator:

pi 2 1
E = ∑ Ei = ∑ + m ωi 2 d i 2
i i 2m 2

It can be also written as:

⎛ 1⎞ Expression
p comparable
p to
E = ∑ ⎜ ni + ⎟ h ωi that for photons
i ⎝ 2⎠
ni is the number of modes that contribute to the total energy

Each mode is called phonon and is characterized by its frequency ωi ( ki )

Phonons are the quanta of energy for lattice vibrations
10
Temperature at the nanoscale 5
Scattering of phonons is defined as recombination processes
for vibrations

Destruction Creation

The mfp is defined as the average length where these

processes occur
11
 Temperature
p at the nanoscale 6

•Temperature is locally associated with a population of phonons

of comparable mpf

T
mpf

•A temperature gradient exists if one can observe two distinct populations

of phonons

T1
T2
12
Mpf 1 Mpf 2
 Specific heat

Bose-Einstein distribution for ni

1
ni = h ωi k B T h ωi ? kB T
e −1
Specific energy is then Classical
Quantum
mechanics
mechanics
ωmax
3 1
e=
2 π 2 vi ∫
0
e h ωi kB T
−1
h ωi ki 2 dωi

specific heat can be expressed analytically in terms of frequency

mode ωi and of temperature T as:
ωmax
de 3h 2
e h ωi kB T
cv = = ∫ ω dωi
2 2
k
dT 2 π 2 k B T 2 vi (e − 1)
2 i i
h ωi k B T
0
13
 Thermal resistance (lattice)
( )
k '' = k + k '
Normal mode Umpplak mode

The resulting mode is in the The resulting

same direction than that of the
heat flux
The material acts as a
superconductor of heat
Harmonic approximation
Th lti moded actst iin
the reverse sense than that
of the heat flux.
Resistive effect Æ thermal
resistance
Anharmonic process

T ΘD 14
 Thermal conductivityy ((lattice))

ϕ ( x − Λ ) = n x −Λ c e ( x − Λ )

ϕ ( x + Λ ) = n x +Λ c e ( x + Λ )

ϕ ( x) = ϕ ( x − Λ) −ϕ ( x + Λ)

Average mpf
1 de dT
ϕ ( x) = − n c Λ
l≡Λ 3 dT dx

Fourier’s law
ur ur 1 1
ϕ = − k ∇T k = c Λ ρ cv = c 2 τ ρ cv Λ = cτ
3 3
Phenomenological Relaxation time
relation Speed of sound in the lattice of phonons
15
 Heat transport
p model at the nanoscale

Debye temperature Can these

models be
Molecular Mechanics used in
IHCP ?

Boltzmann transport
equation

Quantum
Mechanics

Phonon wavelength mfp 16

 BTE: Boltzmann transport equation

Phonon i is treated as particle

r r
( )
∂ni r, t ur ur r ( )
∂ni r, t ⎤
∂t
( )
+ vi ⋅ ∇ni r, t =
∂t ⎥
⎥
⎦c

Rate of change of phonons due to

group
g oup velocity
e oc y assoc
associated
a ed to
o o o i
urpphonon collisions
lli i
of wave vector ki
r
−
( )
ni r, t − N
τi

Relaxation time of phonon q associated to the mfp

Λ i = vi τ i 17
 Classical Molecular Dynamics

uur ur
Fi = m ai
uur ur r
()
Fi = −∇E pi ri

Most difficult
choice for the 2
method T= Ec
3 kB

1 N
1 N
mi vi 2
N must be chosen large enough… Ec =
N
∑
i =1
Eci =
N
∑
i =1 218
 Illustration
0,1 psec pulse

Al
SiO2 GST
J.-L. Battaglia et al., Phys. Rev. B
76, 184110 (2007).
Si
1

09
0.9

norrmalizedd TDTR
R
1 βh
Fourier regime: 0.8 ed

TDTR = exp ( t /τ ) erf ( t /τ ) 0.7

eAl2
with τ =
/ (ρ Cp (Al) )
2
E 2
GST
0.6 measured
optimized
Available if t > tc = 0.3
0 3 nsec 0.5 -14 -12 -10 -8
10 10 10 1910
time (sec)
 The two-temperature
p model
∂Te ur
Ce ( Te )
∂t
( )
= ∇. ke ( Te , Tl ) ∇ Te − G ( Te − Tl ) + S

∂T H. R. B. Orlande et al., J. Appl.

Cl l = G ( Te − Tl ) Phys. 78 (3), 1 August 1995.
∂t

Simulation for aluminium alone

The electrons gas

temperature increases very
quickly
q y and reaches its
maximum at 50 fsec.
Temperature of the lattice
begins to increase at 20 fsec
and reaches the electrons
gas temperature at 30 psec

Simulation for Al/GST on

previous slide (circles) 20
 To summarize

Temperature

Fourier
ur ur
ϕ = −k ∇T

∂T ur
∂t
(
= ∇. k ∇T )
((~100 K)) Θ
D

!
L
Length
th scale
l
Amorphous or crystalline ??
Λ
((~10
10 nm ffor iinsulators
l t and
d SC)
(~100 nm for doped SC and metals) 21
 Some keys idea for heat transfer at the
nanoscale
•Temperature and temperature gradient are spatially defined according to the
mfp Λ of phonons

•The mfp is related to the relaxation time τ from the speed of sound in the
material

•It is only possible to speak of the thermal conductivity when l>Λ

When l<Λ it is always possible to speak of the thermal resistance R

•When

•When T<<ΘD crystalline materials are superconductor (thermal resistance is

governed by the physical boundaries only)

•When T>=ΘD, the Fourier’s law becomes valid for very small times (as soon
as t>30 psec for Al !!)
22
 Heat transfer in heterogeneous materials

Heat transfer model

at the microscale
(inside the REV) :
Zoom
r
( ) = ∇. k
∂ Tσ r , t
( ( ))
ur r
(ρ C )p σ
∂t
σ ∇ Tσ r , t
r
∂ Tβ ( ) = ∇. k
r, t
( ( ))
ur r
( ρ C p )β ∂t
β ∇ Tβ r , t

Heterogeneous
H t medium:
di R
Representative
t ti Interface : Tσ = Tβ
D/L << 1 Elementary Volume r r r r
(System = macrostructure) l β / D << 1 (REV) kσ ∇ Tσ . n = k β ∇ Tβ . n

How to get one (or two) continuous macroscopic temperature(s)/heat equation(s) ?

23
 Two type of averaging procedures

1) Averaging operator over the REV:

r 1 r r
f (r, t ) = r ∫( f ( r ',t ) dV ( r ' )
V (r, D) V P, D)

χ β (P) = 1 if P ∈ β − phase f = χβ ⇒ f = εβ
χ β (P) = 0 if P ∈ σ − phase volume
l f i
fraction β phase
h
f = ρ c ⇒ f = (ρ c )
p p t

with: ( ρ c ) = ε ( ρ c ) + (1 - ε )( ρ c )
p t β p β β p σ f = ρ cp T ⇒ f = H volumic enthalpy
total volumetric heat

Definition of the enthalpic

p mean temperature
p : TH = H / ( ρ c p ) t

r 1 r
(r , t ) =
α
2) Intrinsic average temperatures
(definitions) :
Tα
Vα ∫
Vα
Tσ ( r , t ) d V

β r 1 r
Tβ (r , t ) = ∫ Tβ ( r , t ) d V
Vβ Vβ

β σ
NB : TH = H / ( ρ c p ) t = ε β ( ρ c p ) β Tβ + (1 - ε β ) ( ρ c p )σ Tσ 24
 The one temperature
p model

Up-scaled
p heat equation:
q

ρ ct
∂TH
∂t
= ∇ . k ∇ TH ( )
ρ ct = ε σ ( ρ c p )σ + ε β ( ρ c p ) β

kk = effective (or equivalent) conductivity tensor of the material

25
 The two-temperature model
macroscopic conductivity tensors
K ββ , K βσ , Kσβ , Kσσ
volumic exchange coefficient
av h
av = specific area (m2/m3)
h = heat transfer coefficient
(Wm-2K-1)

Two coupled heat equations at the same location P:

σ

ε ( ρ c p )σ
∂ Tσ
∂t (
= ∇. Kσββ .∇ Tβ
β
+ Kσσ .∇ Tσ
σ
) − av h Tσ ( σ
− Tβ
β
)
β

( ) ( )
∂ Tβ
(1 − ε ) ( ρ c p )β
β σ β σ
= ∇. K ββ .∇ Tβ + K βσ .∇ Tσ − av h Tβ − Tσ
∂t
r r ~ r
Local-scale temperature in σ-phase defined by: Tσ (r , t ) = Tσ (r , t ) σ
+ Tσ (r , t ) 26
 Conditions for local thermal equilibrium

Time t (after excitation)

must be such as :

D
σ β
Tσ = Tβ = TH

ε (ρ C p )σ D 2 ⎛ 1
⎜ 1 ⎞⎟ (
(1 − ε ) ρ C p )β D 2 ⎛⎜ 1 1 ⎞
⎟ << 1
+ << 1 and +
t ⎜ kσ k ⎟ t ⎜ kσ kβ ⎟
⎝ β ⎠ ⎝ ⎠

ε k σ D ⎛⎜ 1 1 ⎞⎟ (1 − ε ) k β D ⎛ 1 1 ⎞⎟
+ << 1 and ⎜ + << 1
2 ⎜ kσ k β ⎟⎠ 2 ⎜ ⎟
av L ⎝ av L ⎝ kσ kβ ⎠
27
 Application on a stratified medium

T= 1
Gobbé C.,C Battaglia JJ.-L.,
L Quintard MM.,
0 H y Identification of macroscopic thermophysical
β σ properties during transient heat transfer
processes : two-equation model and application
L to a stratified medium
medium, Eurotherm
Eurotherm, Editions
Elsevier, 53, 75-82, 8-10 October 1997, Mons,
x T= 0 Belgium.

lβ lσ
l
symmetrical unit cell

∂ < Tβ > βm ∂2
( )
K ββ av h
= < Tβ > βm − <T > βm − < Tσ > σm
∂t ( )β
ε βm ρc p L2 ∂x * 2 ε βm (ρc )
p β
β

∂ < Tσ > σm ∂2
∂t
=
K σσ
ε σm ρc p ( )σ L2 ∂x * 2
< Tσ > σm −
ε σm
av h
(ρc ) ( <T
p σ
σ > σm − < Tβ > βm )
28