Ciencia de los Materiales

Grado en Química; Curso 2019/2020

SEMINARIO 1

1. Calculate the radius of a palladium atom, given that Pd has an FCC crystal
structure, a density of 12.0 g/cm3, and an atomic weight of 106.4 g/mol.

2. Below are listed the atomic weight, density, and atomic radius for three
hypothetical alloys. For each determine whether its crystal structure is FCC, BCC, or
simple cubic and then justify your determination.

3. Sketch a tetragonal unit cell, and within that cell indicate locations of the 1 1 ½
and ½ ¼ ½ point coordinates.

4. What are the indices for the directions indicated by the vectors in the sketch
below?

5. Determine the Miller indices of planes A, B, and C in Figure

 Ciencia de los Materiales
Grado en Química; Curso 2019/2020

6. Determine the indices for the directions shown in the following hexagonal unit
cell:

 
7. Convert the (111) and 0 12 planes into the four-index Miller–Bravais scheme for
hexagonal unit cells.

8. Determine the indices for the planes shown in the hexagonal unit cells below:
 Ciencia de los Materiales
Grado en Química; Curso 2019/2020

9. Derive linear density expressions for FCC [100] and [111] directions in terms of
the atomic radius R.

10. Derive planar density expressions for FCC (100) and (111) planes in terms
of the atomic radius R.

11. The metal niobium has a BCC crystal structure. If the angle of diffraction
for the (211) set of planes occurs at 75.99º (first-order reflection n=1) when
monochromatic X-radiation having a wavelength of 0.1659 nm is used, compute (a) the
interplanar spacing for this set of planes, and (b) the atomic radius for the niobium atom.

12. The Figure below shows the first five peaks of the x-ray diffraction pattern
for tungsten, which has a BCC crystal structure; monochromatic X-radiation having a
wavelength of 0.1542 nm was used.

(a) Index (i.e., give h, k, and l indices) for each of these peaks.

(b) Determine the interplanar spacing for each of the peaks.

(c) For each peak, determine the atomic radius for W and compare these with
the theoretical value (0.1371nm).

13. Calculate the number of vacancies per cubic meter in gold at 900ºC. The
energy for vacancy formation is 0.98 eV/atom. Furthermore, the density and atomic
weight for Au are18.63 g/cm3 (at 900°C) and 196.9 g/mol, respectively.
 Ciencia de los Materiales
Grado en Química; Curso 2019/2020

14. In FCC iron, carbon atoms are located at octahedral sites, which occur at
the center of each edge of the unit cell at sites such as (0, 0, 1/2) and at the center of the
unit cell (1/2, 1/2, 1/2). In BCC iron, carbon atoms enter tetrahedral sites, such as (0, 1/2,
1/4). 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. (a) Would we expect a greater
distortion of the crystal by an interstitial carbon atom in FCC or BCC iron? (b) What
would be the atomic percentage of carbon in each type of iron if all the interstitial sites
were filled?
15. Calculate the composition, in weight percent, of an alloy that contains 105
kg of iron, 0.2 kg of carbon, and 1.0 kg of chromium.
16. The concentration of silicon in an iron-silicon alloy is 0.25 wt%. What is
the concentration in kilograms of silicon per cubic meter of alloy? Data: ρSi= 2.33 g/cm3
and ρFe= 7.87 g/cm3.
17. Gold forms a substitutional solid solution with silver. Compute the weight
percent of gold that must be added to silver to yield an alloy that contains 5.5·1021 Au
atoms per cubic centimeter. The densities of pure Au and Ag are 19.32 and 10.49 g/cm3,
respectively.

18. For an ASTM grain size of 6, approximately how many grains would there be per
square inch at

(a) a magnification of 100, and

(b) without any magnification?

19. Aluminum–lithium alloys have been developed by the aircraft industry to reduce
the weight and improve the performance of its aircraft. A commercial aircraft skin
material having a density of 2.47 g/cm3 is desired. Compute the concentration of Li (in
wt%) that is required.

20. Compute the number of kilograms of hydrogen that pass per hour through a 6-
mm-thick sheet of palladium having an area of 0.25 m2 at 600º C. Assume a diffusion
coefficient of 1.7·10-8 m2/s, that the concentrations at the high- and low-pressure sides of
the plate are 2.0 and 0.4 kg of hydrogen per cubic meter of palladium, and that steady-
state conditions have been attained.
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21. Devices such as transistors are made by doping semiconductors. The diffusion
coefficient of phosphorus (P) in Si is D= 6.5·10-13 cm2/s at a temperature of 1100°C.
Assume the source provides a surface concentration of 1020 atoms cm3 and the diffusion
time is one hour. Assume that the silicon wafer initially contains no P. Calculate the depth
at which the concentration of P will be 1018 atoms cm3. State any assumptions you have
made while solving this problem.

22. A diffusion couple composed of two platinum-gold alloys is formed; these alloys
have compositions of 99.0 wt% Pt-1.0 wt% Au and 96.0 wt% Pt-4.0 wt% Au. Determine
the time this diffusion couple must be heated at 1000ºC (1273 K) in order for the
composition to be 2.8 wt% Au at the 10 m position into the 4.0 wt% Au side of the
diffusion couple. Preexponential and activation energy values for Au diffusion in Pt are
1.3·10-5 m2/s and 252,000 J/mol, respectively.

23. The preexponential and activation energy for the diffusion of chromium in nickel
are 1.1·10-4 m2/s and 272,000 J/mol, respectively. At what temperature will the diffusion
coefficient have a value of 1.2·10-14 m2/s?

24. The wear resistance of a steel shaft is to be improved by hardening its surface.
This is to be accomplished by increasing the nitrogen content within an outer surface layer
as a result of nitrogen diffusion into the steel; the nitrogen is to be supplied from an
external nitrogen-rich gas at an elevated and constant temperature. The initial nitrogen
content of the steel is 0.0025 wt%, whereas the surface concentration is to be maintained
at 0.45 wt%. For this treatment to be effective, a nitrogen content of 0.12 wt% must be
established at a position 0.45 mm below the surface. Specify an appropriate heat treatment
in terms of temperature and time for a temperature between 475º C and 625º C. The
preexponential and activation energy for the diffusion of nitrogen in iron are 3·10-7 m2/s
and 76,150 J/mol, respectively, over this temperature range.