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SUBCONTENT:
Crystal structures.
Fundamental Concept Unit cell Material crystal system Efficiency of atomic packing Polymorphism and allotropic transformation Crystallography plane and direction
LEARNING OBJECTIVE
You should be able:
Crystalline Material
Single Crystal
polycrystal
Crystal structure
is a unique arrangement of atoms in a crystal. composed of a unit cell
Crystalline materials... atoms pack in periodic, 3D arrays typical of: -metals -many ceramics -some polymers
crystalline SiO2
Noncrystalline materials... atoms have no periodic packing occurs for: -complex structures -rapid cooling
noncrystalline SiO2
"Amorphous" = Noncrystalline
Amorphous
Crystal
Polycrystalline
SINGLE VS POLYCRYSTALS
Single Crystals
-Properties vary with direction: anisotropic. -Example: the modulus of elasticity (E) in BCC iron:
Polycrystals
-Properties may/may not vary with direction. -If grains are randomly oriented: isotropic.
(Epoly iron = 210 GPa) 200 mm
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grain
Unit cell - smallest structural unit or building block that can describe the crystal structure. Repetition of the unit cell generates the entire crystal. Primitive unit cell- smallest possible unit cell one can construct. Lattice parameters- spacing between unit cells in various direction.
Concept test
which one is unit cell
mechanical behavior.
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BRAVAIS LATTICE
BRAVAIS LATTICE - describe the geometric arrangement of the lattice points and the translational symmetry of the crystal.
Figure : The 14 Bravais conventional unit cells are grouped according to crystal system. The dots indicate lattice points that when allocated on faces or at corners, are shared by other identical lattice unit cells.
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Cube with an atom at each corner and one in the center. No. of atom at corner = 8x1/8 = 1 atom No. of atom at center = 1 atom Total no. of atom in 1unit cell = 2 atoms
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Examples
Cube with an atom at each corner, one in the center and one in the center of each side of the cube. No. of atom at corner = 8x1/8 = 1 atom No. of atom at face = 6x1/2 = 3 atom Total no. of atom in 1unit cell = 4 atoms
Hexagon with a reference atom that is surrounded by 12 atoms that are equal distance from the reference atom. No. of atom at corner for top face = 6x1/6 = 1 atom No. of atom at corner for bottom face = 6x1/6 = 1 atom No. of atom at centre = 3 atoms No. of atom at centre for top face = 1x1/2 = 1/2 atom No. of atom at centre for bottom face = 1x1/2 = 1/2 atom Total no. of atom in 1unit cell = 6 atoms
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Summary
a (lattice constant) Atoms/unit cell Coordination No. Examples
Simple cubic
a = 2R
CsCl
BCC
a = 4R/3
FCC
a = 4R/2 or a = 2R2
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HCP
a = 2R c = 1.633 a
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APF = no. of atom/unit cell, n x volume of atoms in the unit cell, (Vs) volume of the unit cell, (Vc)
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EXAMPLE
Calculate the APF for Simple Cubic (SC)?
EXERCISE
Calculate the APF for BCC and FCC ?
a) BCC
b) FCC
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DENSITY COMPUTATIONS
A knowledge of the crystal structure of a metallic solid permits computation of its density through the relationship :
=
Where
n = number of atoms associated with each unit cell A = atomic weight Vc = volume of the unit cell NA = Avogadros number (6.023 x 1023 atoms/mol)
nA Vc NA
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EXAMPLE
Calculate the density for nickel (simple cubic structure). Note that the unit cell edge length (a) for nickel is 0.3524 nm.
The volume (V) of the unit cell is equal to the cell-edge length (a) cubed. V = a3 = (0.3524 nm)3 = 0.04376 nm3
Since there are 109 nm in a meter and 100 cm in a meter, there must be 107 nm in a cm. 109 x 1m = 107 nm/cm 1 m 100 cm
We can therefore convert the volume of the unit cell to cm3 as follows. 4.376 x 10-2 nm3 x [1 cm ]3 = 4.376 x 10-23 cm 3 107 nm The mass of a nickel atom can be calculated from the atomic weight of this metal and Avogadros number. 58.69g Ni x 1 mol = 9.746 x 10-23 g/atom 1 mol 6.023 x 1023 atoms
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1(9.746 x 10-23 g/unit cell) = 2.23 g/cm3 4.376 x 10-23 cm 3/unit cell
EXERCISE
Copper has an atomic radius of 0.128 nm, FCC crystal structure and an atomic weight of 63.5 g/mol. Compute its density and compare the answer with its measured density.
Element Symbo l Atomic Number Atomic weight (amu) 52.00 58.93 63.55
Density of solid, 20oC (g/cm3)
Cr Co Cu
24 27 29
nA Vc NA
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Allotropy: Carbon
Graphite
Diamond
ALLOTROPIC TRANSFORMATION
A material that can exist in more than one lattice structure (depending on temperature-heating@cooling) allotropic. An allotropic material is able to exist in two or more forms having various properties without change in chemical composition. E.g : When metals are heated slowly from room temperature to their melting points (liquid state), most metals (Cu,Al) do not change their crystalline lattice structure before becoming a liquid. However, this in not the case with steel, Ti, iron and many iron alloys.
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Allotropy of iron(Fe)
BCC (delta iron-high T) FCC (austenite-moderate T) BCC (alfa iron-low T)
1538C 1394C
912C 768C
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MILLER INDICES
Miller indices is used to label the planes and directions of atoms in a crystal.
Why Miller indices is important? To determine the shapes of single crystals, the interpretation of X-ray diffraction patterns and the movement of a dislocation , which may determine the mechanical properties of the material.
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iii) Label the plane (hkl). These three numbers are expressed as the smallest integers and negative quantities are indicated with an overbar,e.g : a.
(h
k
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l)
0 1
Axis
Interceptions Reciprocals Reduction (if necessary) Enclosed
X
1
Y
1
Z
1
0
(1 1
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1)
Axis
1 1
1 1
0
(1 1 0)
X 1 1
Z 2
5/6
(1
2)
Axis
1 1
Enclosed
(0
2)
Plane pass through origin
Axis
1 1
0
(0 1 0)
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Determine the Miller Indices plane for the following figure below?
Axis
a)
Answer :
1
Intercepts
a) (121) b) (210) 1
1 0
Reciprocals
Reduction
(if necessary)
c) (111)
Enclosed
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b)
c) (111)
Enclosed
c)
Answer :
1
Axis Intercepts
a) (121)
b) (210)
1
Reciprocals
Reduction
(if necessary)
c) (111)
c)
Enclosed
d)
Answer :
1
a) (121)
b) (210)
1
c) (111)
c)
Enclosed
Determine the Miller indices of a cubic crystal plane that intersects the position coordinates A (1, 1/4, 0), B (1, 1, 1/2) , C (3/4, 1, 1/4) and D (1/2, 1, 0) ?
Enclosed
Answer : ( 6 4 6 )
c) ( 1 0 1 )
d) ( 1 1 0 ) e) ( 0 1 1 ) f) ( 2 2 1 ) g) ( 1 3 1 )
h) ( 0 1 0 )
ii) These three numbers are expressed as the smallest integers and negative quantities are indicated with an overbar. iii) Label the direction [hkl].
Axis Head (H) Tail (T) Head (H) Tail (T) Reduction (if necessary) Enclosed
* No reciprocal involved. 41
[h
l]
1 1]
0 1 1
X 1 0 1 [1
Y 0 1 1 1
1
0 0 0 0]
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Determine the Miller Indices direction for the following figure below?
a)
1
Axis
Answer : a) (121) b) (210) 1
1 0
c) (111)
c)
Reduction
(if necessary)
Enclosed
b)
Answer :
Axis
a) (121)
1 b) (210) 1 0
Head
Tail
c) (111)
Projection
(Head Tail)
Reduction
(if necessary)
Enclosed
c)
1
Axis
Head
Tail
Projection
(Head Tail)
c) (111)
c)
Reduction
(if necessary)
Enclosed
d)
1
Axis
Head
Tail
Projection
(Head Tail)
c) (111)
c)
Reduction
(if necessary)
Enclosed
e)
1
Axis
Head
Tail
Projection
(Head Tail)
c) (111)
c)
Reduction
(if necessary)
Enclosed
f)
1
Axis
Head
Tail
Projection
(Head Tail)
c)
(111)
c)
Reduction
(if necessary)
Enclosed
Determine the direction indices of the cubic direction between the position coordinates TAIL (3/4, 0, 1/4) and HEAD (1/4, 1/2, 1/2)?
Reduction
(if necessary)
Enclosed
Answer : [ 2 2 1 ]
Determine the direction indices of the cubic direction between the position coordinates TAIL (1, 0, 1/2) and HEAD (0, 1, 1/3)?
Reduction
(if necessary)
Enclosed
Answer : [ 6 6 1 ]
e) [ 1 1 2 ]
DIRECTION Make sure you enclosed your final answer in brackets () with no separating commas [hkl] FOR BOTH PLANE AND DIRECTION Negative number should be written as follows : -1 (WRONG)
1 (CORRECT)
Final answer for labeling the plane and direction should not have fraction number do a reduction.
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