Pontificia Universidad Catlica de Chile

Escuela de Ingeniera
ING 1024 Propiedades y resistencia de materiales

Practice Guide II
Version 1.0 1st semester, 2015
This guide is a compilation of former tutorials, tests and assignments; the answers are indicated at the end of each
problem. Problems are not arranged according to the course schedule rather than difficulty. Should you find any mistake,
please contact the teaching team (professors or teaching assistants).

INDICE
Problem 01

Energy of interatomic bond .................................................................................................................... 2

Problem 02

Dissolution of an ionic compound .......................................................................................................... 2

Problem 03

Interatomic bond I .................................................................................................................................. 3

Problem 04

Interatomic bond II ................................................................................................................................. 3

Problem 05

Unit cell I ................................................................................................................................................ 4

Problem 06

Unit cell II ............................................................................................................................................... 4

Problem 07

Unit cell III .............................................................................................................................................. 5

Problem 08

Unit cell IV .............................................................................................................................................. 6

Problem 09

Unitary cell V .......................................................................................................................................... 7

Problem 010

Unitary cells VI ....................................................................................................................................... 7

Problem 011

Unitary cells VII ...................................................................................................................................... 7

Problem 012

Unitary cell VIII ....................................................................................................................................... 7

Problem 013

Unitary cells IX ....................................................................................................................................... 8

Problem 014

Millers indices I ...................................................................................................................................... 8

Problem 015

Millers indices II ................................................................................................................................... 10

Problem 016

Millers indices III .................................................................................................................................. 11

Problem 017

Millers indices IV ................................................................................................................................. 12

Problem 018

Millers indices V .................................................................................................................................. 12

Problem 019

Anisotropy on crystalline structures ..................................................................................................... 13

Problem 020

Burgers vector ..................................................................................................................................... 13

Problem 021

Dislocations .......................................................................................................................................... 14

Problem 022

Sliding system ...................................................................................................................................... 14

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PROBLEMS

Problem 01

Energy of interatomic bond

For the ionic bond between a Na cation and a Cl anion, find the parameters n, b of the energy
of repulsion, for which the equilibrium distance r0 is 283 pm and the bond energy is equal to -4.567
eV.
Considering a situation in which 1 eV of energy is absorbed by the compound, determine the new
equilibrium distances. Provide a graphical representation.
Data:

1 pm 10 -12 m , 1 eV 1.602 10 -19 J, e - 1.602 10 -19 C, 0 8.85 10 12 F/m

Answer:

n 9.731
b 1.014 10 -112

r'0 362pm > r0

Problem 02

Dissolution of an ionic compound

Kitchen salt (NaCl) is easily dissolved in water. The dissolution process involves a change in the
configurational entropy of water which provides energy for breaking the bonds. Assuming there is
enough water to dissolve all the salt (solubility limit not exceeded), determine the total energy used for
dissolving 1 mol (60.44 g) of NaCl.
Hint: consider temperature of 0K
Data:
Bond: ionic
Parameters of repulsion force: b = 2.5910-115 Nm11, n = 10
Parameter of attraction force (Coulombs force): Z1=Z2 = 1
Bond length at equilibrium (at 0K): ro = 283 pm
Answer:

E 44.376 104 J 443.76 kJ

ING 1024 Propiedades y Resistencia de Materiales

Problem 03

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Interatomic bond I
Aluminum trifluoride (AlF3) is a salt with a tridimensional structure and a high melting point. However,
the aluminum trihalides: aluminum bromide (AlBr3) and aluminum iodide (AlI3), with structures formed
by molecular dimers; and aluminum chloride (AlCl3), with a sheet-like structure; have low melting
points and high vapor pressure. Based on the given information:
a)

What type of interatomic bonds are expected in the compounds?

Al-F:
Al-Cl, Al-Br, Al-I:

b)

Considering that silver fluoride (AgF) and silver chloride (AgCl) have the same characteristics of
bonds as AlF3 and AlCl3, respectively, how does it affect the solubility of silver halides in water?
Al-F:
Al-Cl:

Answer:
a)
Al-F: ionic or ionic covalent tendency
Al-Cl, Al-Br, Al-I: other halides: covalent tendency
b)
Ag-F: soluble or more soluble on water.
Ag-Cl: insoluble o less soluble on water.

Problem 04

Interatomic bond II
For a bar of sodium chloride (monocrystal) under pure tensile stress (see figure), and for the given
parameters of repulsion force between Cl- and Na+ (b = 2.5910-115 Nm11, n = 10, ro = 283 pm),
determine the energy necessary for rupture to occur at the indicated crystallographic plane.
Hint: the energy needed to break a crystalline plane can be approximated by the sum of the
contributions of each interatomic bond on the plane.

Answer:

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Energy to break one bond: U 0 7.348 10

-19

Energy to break 100 cm2 along (100) plane: 0.092 J

Problem 05

Unit cell I
Determine lattice parameter for the HCP structure i.e. calculate
as a function of r (atomic radius).

a (edge length) and c (cell height)

Answer:

a 2r
c

Problem 06

4
6r
3

Unit cell II
Consider the unit cells of diamond and graphite as shown below:
a) Determine theoretical density of both structures (in g/cm3).
b) Compare the result with reference data (indicate source) and discuss possible differences of the
results.
Hint1: assume the central atom in the tetrahedron to be in touch with the 4 atoms around it.
Hint2: look for missing data in literature, quote source.

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Unit cell (left) and tetrahedral structure (right) of diamond. Atoms in the interstitial sites of the FCC cell are
located at (1/4, 1/4, 1/4), (3/4, 3/4, 1/4), (3/4, 1/4, 3/4), (1/4, 3/4, 3/4).

Hexagonal structure (left) and unit cell (right) of graphite.

Answer:

diamond 3.544
graphite 1.930

Problem 07

g
cm3

g
cm3

Unit cell III

a) Determine cross section area, area occupied by atoms and the planar packing fraction for the
planes {100}, {110} and {111} for unit cell of FCC as well as BCC.
b) Determine the length of direction, length occupied by atoms and linear packing factor the directions
<100>, <110> y <111> for unit cell of FCC as well as BCC.
Tabulate the answers.
Answer:

ING 1024 Propiedades y Resistencia de Materiales

{100}
BCC

FCC
rea seccin
Cross
section area

8r 2

{110}
BCC

FCC

16r 2

8 2r 2

{111}
BCC

FCC

16 2r 2

4 3r 2

8 3r 2

pr

rea
tomos
Atoms
area

2pr 2

pr 2

2pr 2

2pr 2

2pr 2

Fraccin de
Packing fraction
empaquetamiento

0,79

0,59

0,56

0,83

0,91

<100>
BCC

FCC

Problem 08

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Largo
seccin
Section
length

2 2r

Largo
Atomstomos
length

2r

Fraccin
lineal
Linear fraction

0,71

<110>
BCC

FCC

4 2r

2r

4r

0,87

1,00

0,34

<111>
BCC

FCC

4r

4r

2 6r

4r

2r

2r

4r

0,61

0,41

1,00

Unit cell IV
Knowing that chlorine ions in the NaCl structure are located at the FCC sites of the lattice and sodium
ions occupy the octahedral interstitials. Determine the density of sodium chloride (NaCl) assuming:
ionic radius of Na+ : 95 pm; ionic radius of Cl- : 181 pm; molar mass chloride: 35,45 g/mol; monalr
mass of sodium: 22,99 g/mol.
Hint: the mass of the electron is negligible with respect to that of the nucleus.

Answer:

m
2.31g/cm 3 .
V

ING 1024 Propiedades y Resistencia de Materiales

Problem 09

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Unit cell V
Determine the value of atomic packing factor of (110) plane in an FCC cell.
Answer:
APF(110)= 55,53%

Problem 010

Unit cell VI
Considering the ratio of atomic radii in a compound structure, determine the likely crystalline structure
for MgO (magnesium oxide) and its lattice parameter. rMg2+: 0.075 nm; rO2-: 0.135 nm.
Answer:
FCC, a = 0.42 nm

Problem 011

Unit cell VII

Calculate titaniums theoretical density (titanium atomic radius 0.1445 nm, molar mass 47.9 g/mol).
Also, draw and determine planar density and planar packing factor for the following planes: 0001 ,

0002 , 1 1 00 y 1 1 01 .

Answer:

4.66 g/cm 3

Problem 012

Plane (0001): planar density 13.8

nm -2 and packing factor of 0.907

Plane (0002): planar density 13.8

nm -2 and packing factor of 0.907

Plane (1100): planar density

7.3 nm -2 and packing factor of 0.481

Plane (1101): planar density

6.5 nm -2 and packing factor of 0.425

Unit cell VIII

Uranium dioxide (UO2) is mostly used for fabricating rods of nuclear fuel. Determine the type of bond
likely to be established between the atoms that form the compound as well as the type of the most
probable crystalline structure. Also, determine the lattice parameter, the atomic packing factor and the
theoretical density for the compound.

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Answer:
Ionic bond, fluorite-structure like, a 528.9 pm ,

Problem 013

0.624 y 12.12 g/cm

Unit cell IX
Determine the atomic packing factor (APF) of a rhombohedral cell with an edge of 0.268 nm and
angles = = = 60, composed with Zn atoms (metallic atomic radius = 0.134 nm). Compare the
obtained value with the atomic packing factor of the cells HCP y FCC (APF: 0.74).

Hint: the height of the described rhombohedral cell is equal to

2
a
3

Answer:

APF 0.74

Problem 014

Millers indices I
Gold (Au) forms a FCC crystalline structure with a density of 19.3 gcm-3 at a room temperature
(20C).
a) Draw the unit cell; specifying the value of all angles (, , ) and the proportion among the edges
(a ,b, c).
b) Calculate atomic radius of gold in nanometers.
c) In the unit cell, draw the family of directions

111

and list all the directions that belong to this

family.
d) On a different drawing of the unit cell, indicate the point (

1 2 3
, , ) and the plane ( 2 0 2 ).
2 3 3

e) On a different drawing of the unit cell, indicate the Burgers vector(s) associated with the lowenergy sliding system, this is, direction and plane for maximum compression. Name the sliding
system.

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Gua de ejercicios II versin 1,0 1 semestre, 2015

Answer:
a)

b)

a 2
0.144nm
4

c)

Family of directions

111

111 , 11 1 , 1 1 1, 1 11, 1 1 1 , 1 1 1 , 1 1 1 , 1 1 1
d)

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e)

Problem 015

Millers indices II
Using the given sketch, draw the following directions and planes inside the unit cell.
a)

1 21

b)

423

c)

0 3 2

d)

1 24

y
x

Answer:

10

ING 1024 Propiedades y Resistencia de Materiales

a)

c)

Problem 016

Gua de ejercicios II versin 1,0 1 semestre, 2015

b)

d)

Millers indices III

Identify the planes on the following HCP unit cell using Miller-Bravais indices.

11

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Gua de ejercicios II versin 1,0 1 semestre, 2015

Answer:

A: 1 1 02

B: 01 1 1

C: 1 2 1 0

Problem 017

Millers indices IV
Show how a rotation of the Millers indices may originate the family of planes {100} in a cubic unit cell.
Indicate the number of planes associated with this family.

y
x
Answer:

{100}: (100), (010), (001), 1 00 , 0 1 0 , 00 1

Problem 018

Millers indices V
Calculate the linear density on the direction [111] for the zincblende structure. RZn2+ :0.083nm; RS2-:
0.174nm. Consider the existence of a single adjacent ion from the origin at the direction [111], and
that the ion is located at (1/4,1/4,1/4)a.

12

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Answer:

0.973Zn 2 0.973O 2
nm

Problem 019

Anisotropy of crystalline structures

By using the tonsorial expression shown, calculate the value for Youngs module and Poisson
coefficient on the direction <100> for a cubic structure of Cu (FCC).
For this, apply uniaxial stress T and consider values c11 y c12 to be: 16.841011

12,14 1011

dinas
and
cm2

dinas
.
cm 2

1 c11
c
2 12
3 c12

c12
c11
c12

c12 1
c12 2
c11 3

Answer:

E 66.7 GPa y 0.42 .

Problem 020

Burgers vector
Determine the lattice parameter a, and the magnitude of the Burgers vector for ferrite (iron BCC) and
austenite (iron FCC). Iron atomic radius: 0.126 nm.
Answer:
Ferrite:

a 0.291 nm b 0.252 nm

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Austenite:

a 0.3564 nm b 0.252 nm

Problem 021

Dislocations
The following figure shows a scheme of mixed dislocation. Indicate, which part of the dislocation can
be considered purely of screw and edge type, respectively. Finally, draw the deformed body after the
dislocation has slid through the entire plane (the direction and sense of the progression is the normal
to the black dashed line, or the displacement line).

Problem 022

Sliding system
Calculate the number of sliding systems associated to a face centered cubic structure (FCC).
Answer:
There are 12 sliding systems (4 planes x 3 directions)

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