MSE 210: Microstructural Engineering

Jan 2023 4 Credits

Lecture: 3 h
Lab: 1.5 h

Prafull Pandey
Department of Materials Engineering
Indian Institute of Technology, Gandhinagar

Lecture 2
FOREWORD: Review of structures and defects
Why defects?

Young modulus is microstructure insensitive, whereas yield strength is sensitive to the microstructure
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Defects allow to change the mechanical properties that makes it more interesting
Why defects?

Young modulus is microstructure insensitive, whereas yield strength is sensitive to the microstructure
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Defects allow to change the mechanical properties that makes it more interesting
Definition
❑ Crystallographic definition: A feature that disrupts the translational periodicity of a crystal

❑ An interface between two perfect crystals

❑ Bonding based definition: The bonding environment around a defect is distinct from that of a perfect
crystal

❑ Bonds are broken or replaced

❑ Bonds are stretched

❑ Thermodynamic definition: Some feature that increases the enthalpy and entropy of the system

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Example: Loss of translation symmetry

• A part of the lattice moved relative to other resulting in

the loss of translational symmetry

• This is akin to stacking fault formation

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Example: Loss of translation symmetry

• A part of the lattice moved relative to other resulting in

Ledge/step
the loss of translational symmetry

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Classification

Classification based on dimensionality

• 0 D or point defects- Vacancy, Interstitial and Substitutional

• 1 D or Line defects - Dislocation

• 2 D or surface defects - Stacking faults, Twin boundaries, Grain boundaries, Interfaces, free surface

• 3 D or volume defects - Pores, Voids, Cracks, Inclusions

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Examples

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0D or Point defects
The defect which is at the atomic scale in all three orthogonal directions

• Vacancy

• Interstitial – Intrinsic and Extrinsic

• Substitutional

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Point defects: Vacancy
• Vacant site in the crystal

• Interesting fact

• There must be a certain fraction of vacant sites in a crystal at equilibrium.

• A crystal with vacancies has a lower free energy (G) than a perfect crystal

What is the equilibrium concentration of Vacancies?

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Equilibrium vacancy concentration
Gibbs free energy (G) = H – TS (H is enthalpy and S is entropy)

H = E + PV
Boltzmann Formula: S = k Ln(W)
k is the Boltzmann constant and W is the no. microstates corresponding to a given macrostate

• Vacancy increases the enthalpy of the system: Energy required to break the bond

∆𝐻 = n ∆𝐻f

• Vacancy increases the entropy of the system: Vacancy could be present anywhere in
the crystal

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Configuration entropy due to vacancies ∆𝑮
∆𝐻 = n ∆𝐻f
Number of atoms: N
Number of vacancies: n
Total number of sites: N+n
𝑵+𝒏 ! ∆𝑮 = ∆𝑯 − 𝐓∆𝑺
Total number of microstates: W = N+nCn =
𝒏!𝑵!
𝑵+𝒏 !
Increase in entropy due to vacancies (∆𝑺) = kln( )
𝒏!𝑵!
Stirling's approximation = lnN! = NlnN-N n
neq
∆𝑺 = k[(N+n)Ln(N+n)-nLn(n)-NLn(N)]

∆𝑮 = n ∆𝑯𝒇 - kT[(N+n)Ln(N+n)-nLn(n)-NLn(N)]
𝝏(∆𝑮) −𝑇∆S
At 𝒏 = neq : ቚ =0
𝝏𝒏

neq −∆𝑯𝒇
= 𝐞𝐱𝐩
𝑵 𝑲𝑻
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neq −∆𝑯𝒇
= 𝐞𝐱𝐩
𝑵 𝑲𝑻

Al: ∆𝑯𝒇 =
𝟎. 𝟕 𝒆𝑽/𝒗𝒂𝒄𝒂𝒏𝒄𝒚

NI: ∆𝑯𝒇 =
𝟏. 𝟕𝟒 𝒆𝑽/𝒗𝒂𝒄𝒂𝒏𝒄𝒚

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Point defects

• Interstitial – Intrinsic and Extrinsic

• Substitutional

Extrinsic
Interstitial

Intrinsic
Interstitial
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Point defects in Ionic crystals

Schottky defect Frenkel defect

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Line defect
• Dislocation
The defect which is at the atomic scale in 2 directions but has a length in the third orthogonal direction

• Triple line

• Disclination

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Line defect
• Dislocation
The defect which is at the atomic scale in 2 directions but has a length in the third orthogonal direction

1. Edge dislocation
2. Screw dislocation

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Edge dislocation
Extra half plane

Slip or glide
plane

Displacement vector –
Burgers vector (b)

Slip or glide plane – The plane on which a dislocation glides

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Edge dislocation

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Edge dislocation
Dislocations are associated with two vectors
𝒕ො- A unit tangent vector along the dislocation line- Dislocation line vector
𝒃 - Direction and magnitude of the displacement

Slipped 𝒕ො Unslipped

Slip plane
Slip plane
𝒃
• For an edge dislocation: Slip plane contains both the Dislocation line and Burgers vector (𝒃 ⊥ 𝒕ො)

𝒃
Slipped Unslipped
Dislocation line - Separate slipped and
unslipped regions
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Edge dislocation

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Edge dislocation

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Model of sequential slip: Edge dislocation

• The direction of dislocation movement is perpendicular to the dislocation (Dislocation line)

• Direction of dislocation movement is in the direction of stress 23
Dislocation movement
Dislocation movement analogy Moving Caterpillar

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Volterra cut and dislocations
Vito Volterra: This was done way before the dislocations were thought

𝒕Ԧ 𝒕Ԧ
1 𝒕Ԧ
1
𝒃
2 2 𝒃

𝒃 ⊥ 𝒕Ԧ 𝒃 ⃦ 𝒕Ԧ
Edge dislocation Screw dislocation

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Volterra cut and dislocations
Edge dislocation

(a) (b) (c) (d)

Screw dislocation 26
Screw dislocations ( 𝒃 || 𝒕Ԧ )

Layer 2

Layer 1

𝒕Ԧ

Slipped Unslipped
Displacement vector is parallel to the dislocation line – Screw
Dislocation 𝒃

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https://www.beautifulchemistry.net/crsytal-structure
Movement of screw dislocations

Offset b

• The direction of dislocation line movement is perpendicular to dislocation line

• Direction of dislocation movement is perpendicular to the direction of stress

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Mixed dislocation

• Burgers vector direction and magnitude Mixed dislocation: When there is an angle between line and Burgers
does not change for a given circuit vector
• Direction of line vector changes

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Materials science and Engineering: An introduction, Callister
Burgers vector determination: Burgers circuit

Closure 6 • The Burgers vector and its

𝒃S
failure F magnitude remain fixed
3 for a given circuit.
• Direction of the vector
may reverse based on
6 6 7 7 convention that is
used.
• RHFS convention (Right
3 hand finish to start)
6

Circuit is closed
No dislocation

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Burgers vector determination: Burgers circuit

6
6
3 F
S3 6

• The Burgers vector and its magnitude remain fixed for a given circuit or remain invariant.
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Edge vs Screw dislocation

• Edge dislocation can only move on planes which contain both the 𝒕ො and 𝒃−
𝑬𝒅𝒈𝒆 𝒅𝒊𝒔𝒍𝒄𝒐𝒂𝒕𝒊𝒐𝒏 𝒄𝒉𝒂𝒏𝒈𝒆 𝒕𝒉𝒆 𝒈𝒊𝒍𝒅𝒆 𝒑𝒍𝒂𝒏𝒆 𝒗𝒊𝒂 𝒄𝒍𝒊𝒎𝒃
• Screw dislocation can move on any plane as 𝒕ො || 𝒃−
𝑺𝒄𝒓𝒆𝒘 𝒅𝒊𝒔𝒍𝒄𝒐𝒂𝒕𝒊𝒐𝒏 𝒄𝒉𝒂𝒏𝒈𝒆 𝒕𝒉𝒆 𝒈𝒊𝒍𝒅𝒆 𝒑𝒍𝒂𝒏𝒆 𝒗𝒊𝒂 𝒄𝒓𝒐𝒔𝒔 𝒔𝒍𝒊𝒑
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Slip systems in FCC and BCC at room temperature

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George E. Dieter, Mechanical Metallurgy
Slip traces in single crystals and polycrystals

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Cross slip of screw dislocation
Slip plane 2

Slip plane 1

𝑡Ƹ
Screw dislocation

• Screw dislocation can move on any plane as 𝒕ො || 𝒃 −

𝐒𝐜𝐫𝐞𝐰 𝐝𝐢𝐬𝐥𝐜𝐨𝐚𝐭𝐢𝐨𝐧 𝐜𝐡𝐚𝐧𝐠𝐞𝐬 𝐭𝐡𝐞 𝐠𝐢𝐥𝐝𝐞 𝐩𝐥𝐚𝐧𝐞 𝐯𝐢𝐚 𝐜𝐫𝐨𝐬𝐬 𝐬𝐥𝐢𝐩- Conservative
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Climb of edge dislocation
• Edge dislocation changes the slip plane via a climb process- Nonconservative

Positive climb/climb up Negative climb/climb down

Removal of row of atoms Addition of row of atoms
Decrease of vacancy concentration Increase of vacancy concentration

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