Materials Science

ME 274 Dr Yehia M. Youssef

Copyright YM Youssef, 12 Feb 2013

Materials Science

X-Ray Diffraction

Diffraction gratings must have spacings comparable to the wavelength of diffracted radiation. Cant resolve spacings < (wavelength of radiation). Spacing is the distance between parallel planes of atoms.
Copyright YM Youssef, 12 Feb 2013

Materials Science

X-Rays to Determine Crystal Structure

Incoming X-rays diffract from crystal planes.
de te ct or ys -ra X
1

extra distance travelled by wave 2

Measurement of critical angle, c, allows computation of planar spacing, d.

Adapted from Fig. 3.19, Callister 7e. Copyright YM Youssef, 12 Feb 2013

1 g in 2 m co ys i n -ra X

g ut

g in o

reflections must be in phase for a detectable signal

Spacing d between planes

X-ray intensity (from detector)

d=

n 2 sin c

c
3

Materials Science

X-Ray Diffraction Pattern

z c a x b y (110) x a c b y x a
(211)

z c

Intensity (relative)

(200)

Diffraction angle 2

Diffraction pattern for polycrystalline -iron (BCC)

Copyright YM Youssef, 12 Feb 2013

Materials Science

Summary
Atoms may assemble into crystalline or amorphous structures. Common metallic crystal structures are FCC, BCC, and HCP. Coordination number and atomic packing factor are the same for both FCC and HCP crystal structures. We can predict the density of a material, provided we know the atomic weight, atomic radius, and crystal geometry (e.g., FCC, BCC, HCP). Crystallographic points, directions and planes are specified in terms of indexing schemes. Crystallographic directions and planes are related to atomic linear densities and planar densities.

Copyright YM Youssef, 12 Feb 2013

Materials Science

Imperfections in Solids
Solidification- result of casting of molten material
2 steps
Nuclei form Nuclei grow to form crystals grain structure

Start with a molten material all liquid

nuclei

liquid

crystals growing

grain structure

Crystals grow until they meet each other

Adapted from Fig.4.14 (b), Callister 7e. Copyright YM Youssef, 12 Feb 2013

Materials Science

Polycrystalline Materials
Grain Boundaries
regions between crystals transition from lattice of one region to that of the other slightly disordered low density in grain boundaries
high mobility high diffusivity high chemical reactivity

Copyright YM Youssef, 12 Feb 2013

Materials Science

Solidification
Grains can be - equiaxed (roughly same size in all directions) - columnar (elongated grains)
~ 8 cm

Heat flow Columnar in area with less undercooling

Adapted from Fig. 4.12, Callister 7e.

Shell of equiaxed grains due to rapid cooling (greater T) near wall

Grain Refiner - added to make smaller, more uniform, equiaxed grains.

Copyright YM Youssef, 12 Feb 2013

Materials Science

Imperfections in Solids
There is no such thing as a perfect crystal. What are these imperfections? Why are they important? Many of the important properties of materials are due to the presence of imperfections.

Copyright YM Youssef, 12 Feb 2013

Materials Science

Types of Imperfections
Vacancy atoms Interstitial atoms Substitutional atoms Dislocations Grain Boundaries

Point defects Line defects Area defects

Copyright YM Youssef, 12 Feb 2013

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10

Point defects
Vacancies:
- vacant atomic sites in a structure.

Vacancy
distortion of planes

Self-Interstitials:
- "extra" atoms positioned between atomic sites.

distortion of planes
Copyright YM Youssef, 12 Feb 2013

selfinterstitial

Materials Science

11

Point defects: Equilibrium Concentration

Equilibrium concentration varies with temperature! No. of defects No. of potential defect sites. Activation energy

Q Nv v = exp kT N

Boltzmann's constant (1.38 x 10 -23 J/atom-K) (8.62 x 10 -5 eV/atom-K) Each lattice site is a potential vacancy site
Copyright YM Youssef, 12 Feb 2013

Temperature

Materials Science

12

Measuring Activation Energy

We can get Qv from an experiment. Measure this... Nv N
exponential dependence!

Nv Q v = exp kT N
Replot it... ln Nv N slope -Qv /k

defect concentration
Copyright YM Youssef, 12 Feb 2013

1/T

Materials Science

13

Estimating Vacancy Concentration

Find the equilibrium # of vacancies in 1 m3 of Cu at 1000C. Given: = 8.4 g/cm3 A = 63.5 g/mol
Cu

Qv = 0.9 eV/atom NA = 6.02 x 1023 atoms/mol 0.9 eV/atom Nv = Q v -4 exp

kT = 2.7 x 10
NA ACu

1273K 8.62 x 10-5 eV/atom-K

For 1 m , N = x
3

x 1 m3 = 8.0 x 1028 sites

Answer:

Nv = (2.7 x 10-4)(8.0 x 1028) sites = 2.2 x 1025 vacancies

Copyright YM Youssef, 12 Feb 2013

Materials Science

14

Observing Equilibrium Vacancy Conc.

Low energy electron microscope view of a (110) surface of NiAl. Increasing T causes surface island of atoms to grow. Why? The equilibrium vacancy concentration increases via atom motion from the crystal to the surface, where they join the island.
Island grows/shrinks to maintain equil. vancancy conc. in the bulk.

Reprinted with permission from Nature (K.F. McCarty, J.A. Nobel, and N.C. Bartelt, "Vacancies in Solids and the Stability of Surface Morphology", Nature, Vol. 412, pp. 622-625 (2001). Image is 5.75 mm by 5.75 mm.) Copyright (2001) Macmillan Publishers, Ltd.

Copyright YM Youssef, 12 Feb 2013

Materials Science

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