PH101: PHYSICS 1

Lecture 4
Harmonic approximation of potential energy
U 𝑥

Spring model for Carbon

dioxide
U(𝑥)
1
U 𝑥 = 𝑘𝑥 2 𝒙
2

Pure harmonic potential Harmonic approximation of the potential

 Potential energy for atom and many other practical systems are close to
harmonic around equilibrium point but deviates at larger distance from
equilibrium
 Exact potential is effectively hard to solve.
 Harmonic approximation
Taylor series expansion
𝟏
U 𝒙 = 𝑼 𝒙𝟎 + 𝑼′ 𝒙𝟎 𝒙 − 𝒙𝟎 + 𝑼"(𝒙𝟎 ) 𝒙 − 𝒙𝟎 𝟐 + 𝑶(𝟑)
𝟐!
𝒅𝑼 𝒅𝟐 𝑼
We use 𝑼′ 𝐱 = and U" 𝐱 =
𝒅𝒙 𝒅𝒙𝟐

 Here we are taking the expansion around

the equilibrium distance 𝑥0 . Hence 𝒙 − 𝒙𝟎
𝑈 ′ 𝑥0 = 0, since the force is zero U(𝒙)
(potential has an extremum). 𝒙
 Let us assume that U 𝑥0 = 0; potential at
equilibrium (reference) is zero. 𝑼𝟎
𝒙𝟎 𝒙
𝒙𝟎
𝒙 𝒙 − 𝒙𝟎
Taylor series/expansion Examples:
 Harmonic approximation continue..

𝒙 − 𝒙𝟎 U 𝒙 =
𝟏
𝑼"(𝒙𝟎 ) 𝒙 − 𝒙𝟎 𝟐 𝟏
= 𝒌 𝒙 − 𝒙𝟎 𝟐
𝟐! 𝟐
U(𝒙)
𝒙
Spring constant
𝑘 = 𝑼"(𝒙𝟎 )

𝒙𝟎 𝒙 𝒌
Frequency of vibration about the equilibrium, 𝝎 = ,
𝒎

For two particle system (molecule),

𝑘
Frequency of vibration 𝜔 =
𝜇
where r𝑒𝑑𝑢𝑐𝑒𝑑 𝑚𝑎𝑠𝑠 (𝜇) 𝑜𝑓 𝑜𝑠𝑐𝑖𝑙𝑙𝑖𝑡𝑎𝑡𝑜𝑟 is
𝑚1 𝑚2
𝜇=
𝑚1 + 𝑚2
 Harmonic approximation: Example
U(𝒙)
Harmonic Approximation to Morse Potential
(Model for a diatomic molecule!)

𝑈 𝑥 = 𝐷(1 − 𝑒 −𝛼(𝑥−𝑥0 ) )2

𝑈 𝑥0 = 0
𝑈 ∝ =𝐷

Interatomic distance

To break the molecule one has to

supply energy D. This is a convenient
model for diatomic molecules.
Harmonic approximation: Morse Potential

First find the equilibrium

𝑈 ′ (𝑥) = 2𝐷𝛼 1 − 𝑒 −𝛼 𝑥−𝑥0 𝑒 −𝛼 𝑥−𝑥0 = 0
Solving at equilibrium 𝑥 = 𝑥0

Now 𝑈 " (𝑥) = 2𝐷𝛼 −𝛼𝑒 −𝛼 𝑥−𝑥0 + 2𝛼𝑒 −2𝛼 𝑥−𝑥0

At equilibrium 𝑈 " (𝑥0 ) = 2𝐷𝛼 2 ≈ 𝑘

𝒌
𝝎= = 𝜶 𝟐𝑫/𝝁
𝝁
 Work and potential energy in 3D
1D motion: Displacement and force
are along the same line
Work done due to the force 𝑭 𝑑𝒓 = 𝑑𝑥 𝑥ො
𝒅𝑾 = 𝑭 𝒅𝒙 = −𝒅𝑼
𝒅𝑼
Thus, 𝑭 = −
𝒅𝒙

3D motion: Displacement and force are

in different directions
𝑭 = 𝐹𝑥 𝑥ො + 𝐹𝑦 𝑦ො + 𝐹𝑧 𝑧Ƹ
𝒅𝑾 = 𝑭 cos 𝜃 𝒅𝒓 𝜽
𝒅𝑾 = 𝑭 ∙ 𝒅𝒓 = 𝑭𝒙 𝒅𝒙 + 𝑭𝒚 𝒅𝒚 + 𝑭𝒛 𝒅𝒛
𝑑 𝑟Ԧ = 𝑑𝑥 𝑥ො + 𝑑𝑦 𝑦ො + 𝑑𝑧 𝑧Ƹ
= −𝒅𝑼
𝑭 =?

𝒅𝑼 = −𝑭 ∙ 𝒅𝒓 = −(𝑭𝒙 𝒅𝒙 + 𝑭𝒚 𝒅𝒚 + 𝑭𝒛 𝒅𝒛)
 𝒅𝑼 𝒊𝒏 𝟐𝑫 𝒂𝒏𝒅 𝟑𝑫?
Y

(𝑥, 𝑦)
𝒅𝒓
(𝑥 + 𝑑𝑥, 𝑦 + 𝑑𝑦)
Y 𝒓

𝒓 + 𝒅𝒓
X

X
Rate of change of potential energy is different in different directions

Total change in potential energy due to change of 𝑥 by 𝑑𝑥 and 𝑦 by 𝑑𝑦

𝝏𝑼 𝝏𝑼
𝒅𝑼 = 𝒅𝒙 + 𝒅𝒚
𝝏𝒙 𝝏𝒚
3D: Since, U 𝒙, 𝒚, 𝒛

𝝏𝑼 𝝏𝑼 𝝏𝑼
𝒅𝑼 = 𝒅𝒙 + 𝒅𝒚 + 𝒅𝒛
𝝏𝒙 𝝏𝒚 𝝏𝒛
 Potential energy in 3D
We can write
𝝏𝑼 𝝏𝑼 𝝏𝑼
𝒅𝑼 = 𝒅𝒙 + 𝒅𝒚 + 𝒅𝒛
𝝏𝒙 𝝏𝒚 𝝏𝒛
𝝏𝑼 𝝏𝑼 𝝏𝑼
= ෝ
𝒙+ ෝ+
𝒚 𝒛ො ∙ (ෝ
𝒙𝒅𝒙 + 𝒚ෝ𝒅y + 𝒛ො 𝒅𝒛)
𝝏𝒙 𝝏𝒚 𝝏𝒛
𝝏 𝝏 𝝏
𝒅𝑼 = ෝ
𝒙+ ෝ+
𝒚 𝒛ො 𝑼 ∙ (ෝ ෝ𝒅y + 𝒛ො 𝒅𝒛)
𝒙𝒅𝒙 + 𝒚
𝝏𝒙 𝝏𝒚 𝝏𝒛
𝒅𝑼 = 𝜵𝑼 ∙ 𝒅𝒓
𝝏 𝝏 𝝏
𝜵 symbols stands for an operator 𝜵= ෝ+ 𝒚
𝒙 ෝ + 𝒛ො
𝝏𝒙 𝝏𝒚 𝝏𝒛
𝜵𝑼 - this operation is know as gradient of 𝑼

Since, 𝑑𝑈 = −𝑭 ∙ 𝑑𝒓

𝑭 = −𝜵𝑼
𝝏𝑼 𝝏𝑼 𝝏𝑼
𝑭𝐱 = − 𝑭𝐲 = − 𝑭𝐳 = −
𝝏𝒙 𝝏𝒚 𝝏𝒛
 Gradient in plane polar
Suppose we have, U(r, )
𝝏𝑼 𝝏𝑼
𝒅𝑼 = 𝒅𝒓 + 𝒅 (by rule!)
𝝏𝒓 𝝏

𝜕𝑈 1 𝜕𝑈
𝛻𝑈 = 𝑟Ƹ + 𝜃෠
𝜕𝑟 𝑟 𝜕𝜃
𝒅𝑼 = −𝑭 ∙ 𝒅𝒓 = − 𝑭𝒓𝒓ො + 𝑭෠ ∙ (𝒅𝒓 ෝ𝒓 + 𝒓𝒅)
෠

= − 𝑭𝒓𝒅𝒓 + 𝑭𝒓𝒅

𝝏𝑼
𝑭𝐫 = −
𝝏𝒓

𝟏 𝝏𝑼
𝑭 = −
𝒓 𝝏
 Gradient in Cylindrical

Suppose we have, U(r, , 𝑧)

𝝏𝑼 𝝏𝑼 𝝏𝑼
𝒅𝑼 = 𝒅𝒓 + 𝝏 𝒅 + 𝝏𝒛 𝒅𝒛 (by rule!)
𝝏𝒓

𝜕𝑈 1 𝜕𝑈 𝜕𝑈
𝛻𝑈 = 𝑟Ƹ + ෠
𝜃+ 𝑧Ƹ
𝜕𝑟 𝑟 𝜕𝜃 𝜕𝑧
𝒅𝑼 = −𝑭 ∙ 𝒅𝒓 = − 𝑭𝒓𝒓ො + 𝑭෠ + 𝑭𝒛 𝒛ො ∙ (𝒅𝒓 ෝ𝒓 + 𝒓𝒅෠ + 𝒅𝒛 𝒛ො )
= − 𝑭𝒓𝒅𝒓 + 𝑭𝒓𝒅 + 𝑭𝒛 𝒅𝒛

𝝏𝑼 𝟏 𝝏𝑼 𝝏𝑼
𝑭𝐫 = − , 𝑭 = − , 𝑭𝒛 = −
𝝏𝒓 𝒓 𝝏 𝝏𝒛
 Gradient in Sperical Polar
Suppose we have, U(r, , 𝜑)
𝝏𝑼 𝝏𝑼 𝝏𝑼
𝒅𝑼 = 𝒅𝒓 + 𝝏 𝒅 + 𝝏𝝋 𝒅𝝋 (by rule!)
𝝏𝒓

𝜕𝑈 1 𝜕𝑈 1 𝜕𝑈
𝛻𝑈 = 𝑟Ƹ + 𝜃෠ + 𝜑ො
𝜕𝑟 𝑟 𝜕𝜃 𝑟𝑠𝑖𝑛𝜃 𝜕𝜑

𝒅𝑼 = −𝑭 ∙ 𝒅𝒓

= − 𝑭𝒓𝒓ො + 𝑭෠ + 𝑭𝝋 𝝋
ෝ ∙ (𝒅𝒓 ෝ𝒓 + 𝒓𝒅෠ + 𝒓 𝒔𝒊𝒏𝜽 𝒅𝝋 𝝋
ෝ)

= − 𝑭𝒓𝒅𝒓 + 𝑭𝒓𝒅 + 𝑭𝝋 𝒓 𝒔𝒊𝒏𝜽 𝒅𝝋

𝝏𝑼 𝟏 𝝏𝑼 𝟏 𝝏𝑼
𝑭𝐫 = − , 𝑭 = − , 𝑭𝝋 = −
𝝏𝒓 𝒓 𝝏 𝒓 𝒔𝒊𝒏𝜽 𝝏𝝋
 Note: Conservative vs non-conservative forces

𝑭 = −𝛁𝑼 (true only for conservative forces ?)

Let’s review how we have arrived to this relation:

We have assumed that
Work done by the particle is entirely stored in the system as potential energy,
− 𝑑𝑊 = 𝑑𝑈

Work done by all type of forces do not converted to potential energy stored in
the system, it may be lost by the dissipation in the form of heat, sound etc.
Those forces are dissipative force/non-conservative force, Example: Friction

Work done by dissipative force dW = 𝐹Ԧ ∙ 𝑑 𝑟Ԧ ≠ 𝑑𝑈, 𝐸𝑛𝑒𝑟𝑔𝑦 𝑖𝑠 𝑛𝑜𝑡 𝑠𝑡𝑜𝑟𝑒𝑑 𝑎𝑠 𝑝𝑜𝑡𝑒𝑛𝑡𝑖𝑎𝑙

𝑒𝑛𝑒𝑟𝑔𝑦.

Hence 𝐹Ԧ ≠ −𝛻𝑈 ; 𝑇 + 𝑈 ≠ 𝑐𝑜𝑛𝑠𝑡𝑎𝑛𝑡 when a particle is under dissipative forces. Thus they
are non-conservative force.
 Note: Conservative force
Is the force always derivable from scalar potential 𝑭 = −𝛁𝑼?
Answer is no, all forces are not derivable from scalar potential. B
Those forces which are derivable from scalar potential ( 𝑭 = −𝛁𝑼)
are known as conservative force.
Work done due to motion from A to B
𝐵

𝑑𝑊 = 𝐹Ԧ ∙ 𝑑 𝑟Ԧ = −𝛻𝑈 ∙ 𝑑 𝑟Ԧ = −𝑑𝑈 ; thus 𝑊 = − න 𝑑𝑈 = 𝑈𝐴 − 𝑈𝐵

𝐴 A

𝑑 𝑣Ԧ 𝑑 𝑣Ԧ 1 1
Agian, 𝑑𝑊 = 𝐹Ԧ ∙ 𝑑 𝑟Ԧ = 𝑚 . 𝑑 𝑟Ԧ = 𝑚 Ԧ = 𝑚𝑑 𝑣Ԧ ∙ 𝑣Ԧ = 𝑚 𝑑 𝑣 2
∙ 𝑣𝑑𝑡
𝑑𝑡 𝑑𝑡 2 2
𝑩
𝟏 𝟏 𝟏
𝑾 = න 𝒎 𝒅 𝒗𝟐 = 𝒎𝒗𝑩 𝟐 − 𝒎𝒗𝑨 𝟐 (= 𝐂𝐡𝐚𝐧𝐠𝐞 𝐢𝐧 𝑲. 𝑬. )
𝟐 𝟐 𝟐
𝑨

𝟏 𝟏 𝟏 𝟏
Thus, 𝑈𝐴 − 𝑈𝐵 = 𝒎𝒗𝑩 𝟐 − 𝒎𝒗𝑨 𝟐  𝑈𝐴 + 𝒎𝒗𝑨 𝟐 = 𝑈𝐵 + 𝒎𝒗𝑩 𝟐
𝟐 𝟐 𝟐 𝟐

𝑬𝒏𝒆𝒓𝒈𝒚 𝒄𝒐𝒏𝒔𝒆𝒓𝒗𝒆𝒅 (𝑻𝒓𝒖𝒆 𝒇𝒐𝒓 𝒄𝒐𝒏𝒔𝒆𝒓𝒗𝒂𝒕𝒊𝒗𝒆 𝒇𝒐𝒓𝒄𝒆 )

 Conservative force: Work done is
independent of path
D
Total work done, when a particle moves from A
to B along ADB
B
𝐵 𝐵 𝐵 𝑭 C
𝒅𝒓
𝑊𝐴𝐷𝐵 = න 𝐹Ԧ ∙ 𝑑 𝑟Ԧ = න −𝛻𝑈 ∙ 𝑑 𝑟Ԧ = න −𝑑𝑈
𝐴 𝐴 𝐴
= 𝑈𝐴 − 𝑈𝐵 A
E

Important: Work done only depends on potential at the end points

A and B if the force is conservative.

𝑾𝑨𝑫𝑩 = 𝑾𝑨𝑪𝑩 = 𝑾𝑨𝑬𝑩

 Conservative
Summeryforces
𝝏 𝝏 𝝏
For a conservative force 𝑭 = −𝜵𝑈, where 𝜵 = ෝ+ 𝒚
𝒙 ෝ + 𝒛ො
𝝏𝒙 𝝏𝒚 𝝏𝒛

For a conservative force, what will be the value of 𝜵 × 𝑭?

𝑥ො 𝑦ො 𝑧Ƹ
Let’s remember that: 𝑨 × 𝑩 = 𝐴𝑥 𝐴𝑦 𝐴𝑧
𝐵𝑥 𝐵𝑦 𝑭𝑧

"𝐂𝐮𝐫𝐥" of a vector in Cartesian

𝑥ො 𝑦ො 𝑧Ƹ
𝜕 𝜕 𝜕 𝜕𝐹𝑧 𝜕𝐹𝑦 𝜕𝐹𝑥 𝜕𝐹𝑧 𝜕𝐹𝑦 𝜕𝐹𝑥
𝜵×𝑭= = 𝑥ො − + ෝ𝑦 − +𝑧Ƹ −
𝜕𝑥 𝜕𝑦 𝜕𝑧 𝜕𝑦 𝜕𝑧 𝜕𝑧 𝜕𝑥 𝜕𝑥 𝜕𝑦
𝐹𝑥 𝐹𝑦 𝐹𝑧

𝝏𝑼 𝝏𝑼
𝝏𝑭𝒛 𝝏( ) 𝝏𝟐 𝑼 𝝏𝑭𝒚 𝝏(
𝝏𝒚
) 𝝏𝟐 𝑼 𝝏𝟐 𝑼 𝝏𝟐 𝑼
= 𝝏𝒛
=𝝏𝒚𝝏𝒛 & = = But, =
𝝏𝒚 𝝏𝒚 𝝏𝒛 𝝏𝒛 𝝏𝒛𝝏𝒚 𝝏𝒙𝝏𝒚 𝝏𝒚𝝏𝒙
(𝒐𝒓𝒅𝒆𝒓 𝒊𝒔 𝒊𝒎𝒎𝒆𝒕𝒆𝒓𝒊𝒂𝒍 𝒃𝒚 𝒓𝒖𝒍𝒆!)

For a conservative force: 𝜵×𝑭=𝟎

 Summery
 Taylor series expansion of a potential in 1D
𝟏
U 𝒙 = 𝑼 𝒙𝟎 + 𝑼′ 𝒙𝟎 𝒙 − 𝒙𝟎 + 𝑼"(𝒙𝟎 ) 𝒙 − 𝒙𝟎 𝟐 + 𝑶(𝟑)
𝟐!
𝒅𝑼 𝒅𝟐 𝑼
Here 𝑼′
𝐱 = and U" 𝐱 =
𝒅𝒙 𝒅𝒙𝟐
Harmonic approximation consider only upto square term
𝑘
Frequency of oscillation 𝜔 = , 𝑘 = 𝑼"(𝒙𝟎 ), and 𝜇 is the reduced mass.
𝜇

 Work done by a force

𝑊 = න 𝐹Ԧ ∙ 𝑑 𝑟Ԧ ; 𝐢𝐟 𝐭𝐡𝐞 𝐟𝐨𝐫𝐜𝐞 𝐢𝐬 𝐜𝐨𝐧𝐬𝐞𝐫𝐯𝐚𝐭𝐢𝐯𝐞

𝑭 = −𝜵𝑼 (“gradient” of U)
“Curl” of F, 𝜵×𝑭=𝟎
Questions ?