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Ch 03 Fundamentals of Materials Science & Engineering

Ch 03 Fundamentals of Materials Science & Engineering

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Published by Dimuthu Dharshana
Mechanical Engineering
Mechanical Engineering

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1
Copyright ©The McGraw-Hill Companies, Inc. Permission required for reproduction or display
Foundations of MaterialsScienceandEngineering
Fourth Edition
William F. SmithJavad Hashemi
PowerPoint Lecture Slidesfor
CHAPTER 
3
Crystal StructuresandCrystal Geometry
3-1
Copyright ©The McGraw-Hill Companies, Inc. Permission required for reproduction or display
The Space Lattice and Unit Cells
Atoms, arranged in repetitive 3-Dimensional pattern,in long range order (LRO) give rise to
 crystal structure
.
Properties of solids depends upon crystal structureand bonding force.
An imaginary network of lines, with atoms atintersection of lines, representing the arrangement of atoms is called
 space lattice
.
Unit CellSpace Lattice
Unit cellis that block of atoms which repeats itself to form space lattice.
3-2
Materials arranged in shortrange order are calledamorphous materials
Copyright ©The McGraw-Hill Companies, Inc. Permission required for reproduction or display
Crystal Systems and BravaisLattice
Only seven different types of unit cellsare necessary to create all point lattices.
According to Bravais(1811-1863)fourteen standard unit cells can describeall possible lattice networks.
The four basic types of unit cells are
¾
Simple
¾
Body Centered
¾
Face Centered
¾
Base Centered
3-3
Copyright ©The McGraw-Hill Companies, Inc. Permission required for reproduction or display
Types of Unit Cells
Cubic Unit Cell
¾
a = b = c
¾
α
=
β
=
γ
= 90
0
Tetragonal
¾
a =b
c
¾
α
=
β
=
γ
= 90
0
SimpleBody CenteredFace centeredSimpleBody Centered
3-4
After W.G. Moffatt, G.W. Pearsall, & J. Wulff, “The Structure and Properties of Materials,”vol. I: “Structure,”Wiley, 1964, p.47.)
Figure 3.2
Copyright ©The McGraw-Hill Companies, Inc. Permission required for reproduction or display
Types of Unit Cells (Cont..)
Orthorhombic
¾
a
b
c
¾
α
=
β
=
γ
= 90
0
Rhombohedral
¾
a =b = c
¾
α
=
β
=
γ ≠
90
0
SimpleBase CenteredFace CenteredBody CenteredSimple
3-5
After W.G. Moffatt, G.W. Pearsall, & J. Wulff, “The Structure and Properties of Materials,”vol. I: “Structure,”Wiley, 1964, p.47.)
Figure 3.2
 
2
Copyright ©The McGraw-Hill Companies, Inc. Permission required for reproduction or display
Types of Unit Cells (Cont..)
Hexagonal
¾
a
b
c
¾
α
=
β
=
γ
= 90
0
Monoclinic
¾
a
b
c
¾
α
=
β
=
γ
= 90
0
Triclinic
¾
a
b
c
¾
α
=
β
=
γ
= 90
0
SimpleSimpleSimpleBaseCentered
3-6
After W.G. Moffatt, G.W. Pearsall, & J. Wulff, “The Structure and Properties of Materials,”vol. I: “Structure,”Wiley, 1964, p.47.)
Figure 3.2
Copyright ©The McGraw-Hill Companies, Inc. Permission required for reproduction or display
Principal Metallic Crystal Structures
90% of the metals have either Body Centered Cubic(BCC), Face Centered Cubic (FCC) or HexagonalClose Packed (HCP) crystal structure.
HCP is denser version of simple hexagonal crystalstructure.
BCC StructureFCC StructureHCP Structure
3-7
Figure 3.3
Copyright ©The McGraw-Hill Companies, Inc. Permission required for reproduction or display
Body Centered Cubic (BCC) Crystal Structure
Represented as one atom at each corner of cube andone at the center of cube.
Each atom has 8 nearest neighbors.
Therefore,
 coordination number
is 8.
Examples:-
¾
Chromium (a=0.289 nm)
¾
Iron (a=0.287 nm)
¾
Sodium (a=0.429 nm)
3-8
Figure 3.4 a&b
Copyright ©The McGraw-Hill Companies, Inc. Permission required for reproduction or display
BCC Crystal Structure (Cont..)
Each unit cell has eight 1/8atom at corners and 1full atom at the center.
Therefore each unit cell has
Atoms contact eachother at cube diagonal(8x1/8 ) + 1 =2 atoms
34
R
Therefore, latticeconstant a =
3-9
Figure 3.5
Copyright ©The McGraw-Hill Companies, Inc. Permission required for reproduction or display
Atomic Packing Factor of BCC Structure
Atomic Packing Factor =Volume of atoms in unit cellVolume of unit cellV
atoms
= = 8.373R 
3
3
34
 ⎠ ⎞⎝ ⎛ 
R
= 12.32 R 
3
Therefore APF =8.723 R 
3
12.32 R 
3
 
= 0.68V
unit cell
= a
3
=
 ⎠ ⎞⎝ ⎛ Π
34.2
3
 R
3-10
Copyright ©The McGraw-Hill Companies, Inc. Permission required for reproduction or display
Face Centered Cubic (FCC) Crystal Structure
FCC structure is represented as one atom each at thecorner of cube and at the center of each cube face.
Coordination number for FCC structure is 12
Atomic Packing Factor is 0.74
Examples :-
¾
Aluminum(a = 0.405)
¾
Gold(a = 0.408)
3-11
Figure 3.6 a&b
 
3
Copyright ©The McGraw-Hill Companies, Inc. Permission required for reproduction or display
FCC Crystal Structure (Cont..)
Each unit cell has eight 1/8atom at corners and six ½atoms at the center of sixfaces.
Therefore each unit cell has
Atoms contact each otheracross cubic face diagonal(8 x 1/8)+ (6 x ½) =4 atoms
24
R
Therefore, latticeconstant a =
3-12
Figure 3.7
Copyright ©The McGraw-Hill Companies, Inc. Permission required for reproduction or display
Hexagonal Close-Packed Structure
The HCP structure is represented as an atom at eachof 12 corners of a hexagonal prism, 2 atoms at top andbottom face and 3 atoms in between top and bottomface.
Atoms attain higher APF by attaining HCP structurethan simple hexagonal structure.
Thecoordination number is 12, APF = 0.74.
3-13
After F.M. Miller, “Chemistry: Structure and Dynamics,”McGraw-Hill, 1984, p.296
 
Figure 3.8 a&b
Copyright ©The McGraw-Hill Companies, Inc. Permission required for reproduction or display
HCP Crystal Structure (Cont..)
Each atom has six 1/6 atoms at each of top and bottomlayer, two half atoms at top and bottom layer and 3 fullatoms at the middle layer.
Therefore each HCP unit cell has
Examples:-
¾
Zinc(a = 0.2665 nm, c/a = 1.85)
¾
Cobalt(a = 0.2507 nm, c.a = 1.62)
Ideal c/a ratio is 1.633.(2 x 6 x 1/6) + (2 x ½) + 3 =6 atoms
3-14
After F.M. Miller, “Chemistry: Structure and Dynamics,”McGraw-Hill, 1984, p.296
Figure 3.8 c
Copyright ©The McGraw-Hill Companies, Inc. Permission required for reproduction or display
Atom Positions in Cubic Unit Cells
Cartesian coordinate systemis use to locate atoms.
In a cubic unit cell
¾
y axis is the direction to the right
.
¾
x axis is the direction coming out of the paper.
¾
z axis is the direction towards top.
¾
Negative directions are to the opposite of positivedirections.
Atom positions arelocated using unitdistances along theaxes.
3-15
Figure 3.10 b
Copyright ©The McGraw-Hill Companies, Inc. Permission required for reproduction or display
Directions in Cubic Unit Cells
In cubic crystals,
 Direction Indices
are vectorcomponents of directions resolved along each axes,resolved to smallest integers.
Direction indices areposition coordinatesof unit cellwhere the direction vector emerges from cell surface,converted to integers.
3-16
Figure 3.11
Copyright ©The McGraw-Hill Companies, Inc. Permission required for reproduction or display
Procedure to Find Direction Indices
(0,0,0)(1,1/2,1)
zProduce the direction vector till itemerges from surface of cubic cellDetermine the coordinates of pointof emergence and originSubtract coordinates of point of Emergence by that of origin(1,1/2,1) -(0,0,0)= (1,1/2,1)Are all areintegers?Convert them tosmallestpossibleinteger by multiplyingby an integer.2 x (1,1/2,1)= (2,1,2)Are any of the directionvectors negative?Represent the indices in a squarebracket without comas with aover negative index (Eg: [121])Represent the indices in a squarebracket without comas (Eg: [212] )The direction indices are [212]xyYES
NO
YES
 
NO
3-17

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