Material Science

MENG 286 – Fall 2023

MATERIAL SCIENCE
MENG 286 – Fall 2023
 Material Science
MENG 286 – Fall 2023

Dr. S. Alireza Razavi

Office: EE138
[email protected]
Required Text
Material Science
MENG 286 – Fall 2023

MATERIALS SCIENCE AND ENGINEERING: AN

INTRODUCTION, W.D. Callister, Jr. and D.G. Rethwisch, 8th
edition, John Wiley and Sons, Inc. (2010).

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 Material Science
MENG 286 – Fall 2023

Lecture 5
Diffusion
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Diffusion
Material Science
MENG 286 – Fall 2023

• What do we mean by Diffusion?

• Mass transport by internal random
atomic motion NOT by external
stirring or mixing actions…

Mechanisms: • In gases & liquids − random (Brownian) motion

• In solids − vacancy diffusion or interstitial diffusion 5
Diffusion Importance
Material Science
MENG 286 – Fall 2023

• Case Hardening
• A steel gear case hardened −a high-temperature heat treatment during which carbon from the
surrounding atmosphere is diffused into the host iron at the surface (interstitial diffusion).

Result: Carbon content increase iron (steel) hardness. 6

Diffusion – Alloys
Material Science
MENG 286 – Fall 2023

Interdiffusion (Impurity Diffusion): Atoms tend to migrate from regions of high conc. to those of
low conc. over time.

Change in concentration
over time

From high-to-low conc.

Cu – Ni is a good example of
a diffusion couple where the
two metals join by intimate
contact between their faces.
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Diffusion – Pure Metals
Material Science
MENG 286 – Fall 2023

Self-diffusion (pure metals): All atoms exchanging positions are of the same type.

Label some atoms After some time

C
C
A D
A
D
B
B

Migration of atoms in an elemental solid.

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Diffusion Condition
Material Science
MENG 286 – Fall 2023

• Two conditions must be met for an atom to keep moving from one lattice site to another.

2. The atom must have sufficient energy to break

1. There must be an empty adjacent site bonds with its neighbor atoms

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Diffusion Mechanisms
Material Science
MENG 286 – Fall 2023

• For metals, there are two major atomic motion (diffusion) models:
• Vacancy Diffusion (in both self-diffusion or interdiffusion mechanisms)
• Interstitial Diffusion
Look back at Lecture 4, slides 15 & 23

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Vacancy Diffusion
Material Science
MENG 286 – Fall 2023

• Atoms exchange position with vacancies

• Applies to both mechanisms: self-diffusion and interdiffusion.
Pure metals Substitutional
(e.g., Cu and Ni)

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Vacancy Diffusion (cont.)
Material Science
MENG 286 – Fall 2023

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Interstitial Diffusion
Material Science
MENG 286 – Fall 2023

• Atoms that migrates from an interstitial position to a neighboring one that is empty
Interdiffusion
of impurities

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Vacancy vs. Interstitial Diffusion
Material Science
MENG 286 – Fall 2023

• In most metal alloys, interstitial diffusion occurs much more rapidly than diffusion by the vacancy
mode, because the interstitial atoms are smaller and thus more mobile.
• Furthermore, there are more empty interstitial positions than vacancies; hence, the probability
of interstitial atomic movement is greater than for vacancy diffusion.

i.e.,
It is more likely for smaller atoms to
fill in the gaps between the host
atoms (interstitial), than it is to have
a missing (vacancy) host atom.

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Fick’s First Law
Material Science
MENG 286 – Fall 2023

• A time-dependent process quantifying how many elements (atoms) are transported from an
area of high conc. to an area of lower conc. over time.

Note:
𝑚𝑎𝑠𝑠 (𝑘𝑔) Diffusing mass through and
𝑒𝑞𝑢𝑖𝑣𝑎𝑙𝑒𝑛𝑡 𝑛𝑜. 𝑜𝑓 𝑎𝑡𝑜𝑚𝑠 perpendicular to the cross-
sectional area of solid.

𝒌𝒈 𝑎𝑡𝑜𝑚𝑠 𝑴
𝑫𝒊𝒇𝒇𝒖𝒔𝒊𝒐𝒏 𝑭𝒍𝒖𝒙 𝑱 𝑜𝑟 =
𝒎𝟐𝒔 𝑚2𝑠 𝑨𝒕

𝑎𝑟𝑒𝑎 𝑚2 𝑡𝑖𝑚𝑒 (𝑠)

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 Fick’s First Law (Steady-State Diffusion)
Material Science
MENG 286 – Fall 2023

𝑑𝐶
• Mathematically, the flux is proportional to the concentration gradient through:
𝑑𝑥

𝒎𝒊𝒏𝒖𝒔: 𝑔𝑟𝑎𝑑𝑖𝑒𝑛𝑡 ℎ𝑖𝑔ℎ-𝑐𝑜𝑛𝑐. 𝑡𝑜 𝑙𝑜𝑤-𝑐𝑜𝑛𝑐.

𝑎𝑡𝑜𝑚𝑠
𝐷𝑖𝑓𝑓𝑢𝑠𝑖𝑜𝑛 𝑔𝑟𝑎𝑑𝑖𝑒𝑛𝑡 ( )
𝑘𝑔 𝒂𝒕𝒐𝒎𝒔 𝒅𝑪 𝑣𝑜𝑙
𝑭𝒊𝒄𝒌’𝒔 𝑭𝒊𝒓𝒔𝒕 𝑳𝒂𝒘 𝑱 𝑜𝑟 = −𝑫
𝑚2𝑠 𝒎𝟐𝒔 𝒅𝒙

𝐷𝑖𝑠𝑡𝑎𝑛𝑐𝑒 𝑡𝑟𝑎𝑣𝑒𝑙𝑙𝑒𝑑 𝑜𝑣𝑒𝑟

C1 C2 (𝑚)
𝑎𝑟𝑒𝑎
𝐷𝑖𝑓𝑓𝑢𝑠𝑖𝑛𝑜 𝑐𝑜𝑒𝑓𝑓𝑖𝑐𝑖𝑒𝑛𝑡 ( )
𝑡𝑖𝑚𝑒

x1 x2
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Example 5.1
Material Science
MENG 286 – Fall 2023

• A plate of iron is exposed to a carburizing (carbon-rich) atmosphere on one side and a

decarburizing (carbon-deficient) atmosphere on the other side at 700℃. If a condition of steady
state is achieved, calculate the diffusion flux of carbon through the plate if the concentrations of
carbon at positions of 5 and 10 mm (5 × 10−3 and 10−2 m) beneath the carburizing surface are
1.2 and 0.8 kg/m3, respectively. Assume a diffusion coefficient of 3 × 10−11 m2/s at this
temperature.

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Example 5.1
Material Science
MENG 286 – Fall 2023

Solution

𝐶𝐴 − 𝐶𝐵
𝐽 = −𝐷
𝑥𝐴 − 𝑥𝐵

−11
1.2 − 0.8 𝑘𝑔/𝑚3
𝐽 = − 3 × 10 𝑚2/𝑠
5 × 10−3 − 10−2 𝑚

𝐽 = +2.4 × 10−9 𝑘𝑔/𝑚2. 𝑠

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Non-Steady State Diffusion
Material Science
MENG 286 – Fall 2023

• The concentration gradient and diffusion flux of solid varies with time and position C = C(x,t).
• I.e., the concentration varies over time.

• In this case Fick’s Second Law is used

𝜕𝐶 𝜕2𝐶
=𝐷 ( 2)
𝜕𝑡 𝜕𝑋

Concentration profiles for non-steady-

state diffusion taken at three different
times, t1, t2, and t3
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Non-Steady State Diffusion
Material Science
• Copper diffuses into a bar of aluminum. MENG 286 – Fall 2023

Surface conc., Cs of Cu atoms • At t=0s, some points on the surface

x1 x3 could have either a C0 and some Cs
bar number of Cu atoms concentration.
pre-existing conc., Co of copper atoms
• Once the clock starts (e.g., t1=10s),
depending on the position of interest
(x), the concertation can be
something between C0 to Cs (C(x,t))
(Green dashed line).
(t1 x1)
(t3 x3)
• If you allow more time (e.g., t3=30s),
t0 you have allowed more time for the
Cu atoms to distribute and diffuse
throughout the whole beam,
therefore, at some far positions (x),
B.C. at t = 0, C = Co for 0  x  ∞
there would still be some evidences
at t > 0, C = CS for x = 0 (constant surface conc.)
of Cu atoms concentrated (red
C = Co for x = ∞
dashed line). 21
Non-Steady State Diffusion
Material Science
• Copper diffuses into a bar of aluminum. MENG 286 – Fall 2023

SOLUTION
Surface conc., Cs of Cu atoms
x1 x3 𝐶𝑥 − 𝐶0 𝑥
bar = 𝟏 − erf( )
𝐶𝑠 − 𝐶0 2 𝐷𝑡
pre-existing conc., Co of copper atoms
• 𝑪𝒙
Concentration at depth x after time t.
𝒙
• 𝐞𝐫𝐟 (𝟐 𝑫𝒕
)
Gaussian Error Function (dimensionless)
(t1 x1) whose values are in table 5.1.
(t3 x3)

t0 𝑪𝒙 can be calculated as a function of

𝒙
dimensionless parameter at any
𝟐 𝑫𝒕
x, t, and known D (diffusion
coefficient).
B.C. at t = 0, C = Co for 0  x  ∞
at t > 0, C = CS for x = 0 (constant surface conc.)
C = Co for x = ∞ 22
Non-Steady State Diffusion
Material Science
𝒙 MENG 286 – Fall 2023
erf 𝟐 𝑫𝒕

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Non-steady State Diffusion
Material Science
MENG 286 – Fall 2023

Sample Problem:

• An FCC iron-carbon alloy initially containing 0.20 wt% C is carburized at an elevated

temperature and in an atmosphere that gives a surface carbon concentration constant at 1.0
wt%. If after 49.5 h the concentration of carbon is 0.35 wt% at a position 4.0 mm below the
surface, determine the diffusion coefficient at which the treatment was carried out.

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Non-steady State Diffusion
Material Science
MENG 286 – Fall 2023

Solution

t = 49.5 h
Cs = 1.0 wt%
Co = 0.20 wt%
x = 4 x 10-3 m
Cx = 0.35 wt%

 erf(z) = 0.8125

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Non-steady State Diffusion
Material Science
MENG 286 – Fall 2023

Solution (cont.):

z erf(z)
0.90 0.7970 z = 0.93
z 0.8125
0.95 0.8209

Now solve for D

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Diffusion and Temperature
Material Science
MENG 286 – Fall 2023

• Diffusion coefficient and rate increase significantly with increasing temperature T

Qd
D = Do exp - Go back to lecture 4, slide 18
RT

D = diffusion coefficient [m2/s]

Do = pre-exponential [m2/s]
Qd = activation energy [J/mol or eV/atom]
R = gas constant [8.314 J/mol-K]
T = absolute temperature [K]

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Diffusion and Temperature
Material Science
MENG 286 – Fall 2023

• Diffusion coefficient and rate increase significantly with increasing temperature T

Qd
D = Do exp -
RT
• The energy required to produce the
diffusive motion of one mole of
D = diffusion coefficient [m2/s] atoms (6.02*1023).
Do = pre-exponential [m2/s]
• A large activation energy results in a
Qd = activation energy [J/mol or eV/atom] relatively small diffusion coefficient.
R = gas constant [8.314 J/mol-K] • Table 5.2 lists D0 and Qd values for
T = absolute temperature [K] several diffusion systems.

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Diffusion and Temperature
Material Science
MENG 286 – Fall 2023

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 Material Science
MENG 286 – Fall 2023

Core Problems to solve:

5.6,
5.7,
5.11,
5.12,
5.13,
5.18

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