Example 4.
1
The Effect of Temperature on
Vacancy Concentrations
Calculate the concentration of vacancies in copper at room
temperature (25oC). What temperature will be needed to heat
treat copper such that the concentration of vacancies produced
will be 1000 times more than the equilibrium concentration of
vacancies at room temperature? Assume that 20,000 cal are
required to produce a mole of vacancies in copper.
Example 4.1 SOLUTION
The lattice parameter of FCC copper is 0.36151 nm. The basis
is 1, therefore, the number of copper atoms, or lattice points,
per cm3 is:
4 atoms/cell 22 3
n 8 3
8.47 10 copper atoms/cm
(3.6151 10 cm)
Example 4.1 SOLUTION (Continued)
At room temperature, T = 25 + 273 = 298 K:
Q
n n exp
RT
cal
20,000
atoms mol
. exp
22
8.47 10 3
1.987 cal
cm
298K
mol K
8 3
1.815 10 vacancies/cm
We could do this by heating the copper to a temperature at
which this number of vacancies forms:
11 Q
n 1.815 10 n exp
RT
(8.47 10 22 ) exp(20,000 /(1.987 T )), T 102 o C
Example 4.2
Vacancy Concentrations in Iron
Determine the number of vacancies needed for a BCC iron
crystal to have a density of 7.87 g/cm3. The lattice parameter
of the iron is 2.866 10-8 cm.
Example 4.2 SOLUTION
The expected theoretical density of iron can be calculated from
the lattice parameter and the atomic mass.
Example 4.2 SOLUTION (Continued)
Lets calculate the number of iron atoms and vacancies
that would be present in each unit cell for the required
density of 7.87 g/cm3:
Or, there should be 2.00 1.9971 = 0.0029 vacancies
per unit cell. The number of vacancies per cm3 is:
Example 4.3
Sites for Carbon in Iron
In FCC iron, carbon atoms are located at octahedral sites at
the center of each edge of the unit cell (1/2, 0, 0) and at
the center of the unit cell (1/2, 1/2, 1/2). In BCC iron,
carbon atoms enter tetrahedral sites, such as 1/4, 1/2, 0.
The lattice parameter is 0.3571 nm for FCC iron and 0.2866
nm for BCC iron. Assume that carbon atoms have a radius
of 0.071 nm. (1) Would we expect a greater distortion of
the crystal by an interstitial carbon atom in FCC or BCC
iron? (2) What would be the atomic percentage of carbon in
each type of iron if all the interstitial sites were filled?
Learning
(c) 2003 Brooks/Cole Publishing / Thomson
Figure 4.2 (a) The location of the , , 0 interstitial site in
BCC metals, showing the arrangement of the normal atoms
and the interstitial atom (b) , 0, 0 site in FCC metals, (for
Example 4.3). (c) Edge centers and cube centers are some of
the interstitial sites in the FCC structure (Example 4.3).
Example 4.3 SOLUTION
1. We could calculate the size of the interstitial site at the
1/4, 1/2, 0 location with the help of Figure 4.2(a). The radius
RBCC of the iron atom is:
From Figure 4.2(a), we find that:
For FCC iron, the interstitial site such as the 1/2, 0, 0
lies along 100 directions. Thus, the radius of the iron
atom and the radius of the interstitial site are [Figure
4.2(b)]:
Example 4.3 SOLUTION (Continued)
The interstitial site in the BCC iron is smaller than the
interstitial site in the FCC iron. Although both are smaller
than the carbon atom, carbon distorts the BCC crystal
structure more than the FCC crystal. As a result, fewer
carbon atoms are expected to enter interstitial positions in
BCC iron than in FCC iron.
Example 4.3 SOLUTION (Continued)
2. We can find a total of 24 interstitial sites of the type 1/4,
1/2, 0; however, since each site is located at a face of the
unit cell, only half of each site belongs uniquely to a single
cell. Thus:
(24 sites)(1/2) = 12 interstitial sites per unit cell
Atomic percentage of carbon in BCC iron would be:
In FCC iron, the number of octahedral interstitial sites is:
(12 edges) (1/4) + 1 center = 4 interstitial sites per unit cell
Atomic percentage of carbon in BCC iron would be:
Octahedral Vs Tetrahedral