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    Structure of Materials-Part1

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    Kaito
    The document discusses the structure of materials at the atomic level. It explains that the properties of materials depend on their crystal structures, which can be periodic (crystalline) or non-periodic (amorphous). For crystalline materials, the periodic arrangement of atoms can be represented by a lattice and a unit cell. There are seven crystal systems and fourteen Bravais lattices that describe the different arrangements of atoms in a unit cell. Key concepts covered include Miller indices for planes and directions, common crystal structures like body centered cubic and face centered cubic, and atomic packing factors.

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    © All Rights Reserved
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    Structure of Materials-Part1

    Uploaded by

    Kaito
    30 views60 pages
    The document discusses the structure of materials at the atomic level. It explains that the properties of materials depend on their crystal structures, which can be periodic (crystalline) or non-periodic (amorphous). For crystalline materials, the periodic arrangement of atoms can be represented by a lattice and a unit cell. There are seven crystal systems and fourteen Bravais lattices that describe the different arrangements of atoms in a unit cell. Key concepts covered include Miller indices for planes and directions, common crystal structures like body centered cubic and face centered cubic, and atomic packing factors.

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    Structure Of Materials-Part1

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    The document discusses the structure of materials at the atomic level. It explains that the properties of materials depend on their crystal structures, which can be periodic (crystalline) or non-periodic (amorphous). For crystalline materials, the periodic arrangement of atoms can be represented by a lattice and a unit cell. There are seven crystal systems and fourteen Bravais lattices that describe the different arrangements of atoms in a unit cell. Key concepts covered include Miller indices for planes and directions, common crystal structures like body centered cubic and face centered cubic, and atomic packing factors.

    Copyright:

    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
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    30 views60 pages

    Structure of Materials-Part1

    Uploaded by

    Kaito
    The document discusses the structure of materials at the atomic level. It explains that the properties of materials depend on their crystal structures, which can be periodic (crystalline) or non-periodic (amorphous). For crystalline materials, the periodic arrangement of atoms can be represented by a lattice and a unit cell. There are seven crystal systems and fourteen Bravais lattices that describe the different arrangements of atoms in a unit cell. Key concepts covered include Miller indices for planes and directions, common crystal structures like body centered cubic and face centered cubic, and atomic packing factors.

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    of 60

    Structure of Materials –

    part 1
    2
    Why do we need to study structure of
    materials?
    • Properties of materials depend on crystal
    structures
    3

    Graphite Diamond
    4
    5

    Crystalline materials Amorphous materials


    • atoms pack in periodic, • atoms have no periodic ordering
    long range order - glass
    - metals - plastic
    - ceramics
    - some polymers
    6
    7

    • Periodic arrangement of atoms in space →


    Crystal
    • Periodicity of atoms can be represented by a
    network of points in space → Lattice
    • Space Lattice: 3D array of points, each of which
    has identical surroundings
    • Position of other lattice points (in crystalline
    materials) can be obtained by translation
    8
    9

    Unit Cell

    - Representative structural unit

    - Lattice constants/parameters
    a, b, c, α, β, γ

    Adapted from W. D. Callister, 8th edition, “Materials Science and Engineering ”


    10

    7 Crystal Systems

    Adapted from W. D. Callister, 8th edition, “Materials Science and Engineering ”


    11

    Adapted from W. D. Callister, 8th edition, “Materials Science and Engineering ”


    12

    Adapted from W. D. Callister, 8th edition, “Materials Science and Engineering ”


    7 Crystal Systems

    13
    14

    • Based on length / equality or inequality of


    a, b and c and orientation (α, β, γ)
    → 7 Crystal systems
    • With the addition of Face- / Body-centering
    → 14 Bravais lattices
    15

    14 Bravais Lattices
    16

    14 Crystal (Bravais) Lattices


    17
    18
    Crystal Planes
    • Orientation of a plane is described in terms
    of coordinates through which they pass
    along X-, Y- and Z-axis
    19
    Crystal Planes
    • Miller indices of a lattice plane || Procedure
    – Determine intercepts along the crystallographic
    axes, in terms of unit cell dimensions
    – reciprocal of fractional intercepts
    – normalize to smallest integer values
    – three Miller indices as (hkl)
    20
    z
    (A) a b c
    1. Intercepts 1 1 ∞ c
    2. Reciprocals 1/1 1/1 1/∞
    1 1 0
    3. Reduction 1 1 0 y
    a b
    4. Miller Indices (110)
    x
    21
    z
    (B) a b c
    1. Intercepts 1/2 ∞ ∞ c
    2. Reciprocals 1/½ 1/∞ 1/∞
    2 0 0
    3. Reduction 2 0 0
    y
    4. Miller Indices (200) a b
    x
    22

    Miller indices (hkl) refer to the


    plane that is nearest to the origin
    without passing through it.
    23

    Miller indices of the plane


    shown?

    Adapted from W. D. Callister, 8th edition, “Materials Science and Engineering ”


    24

    Adapted from W. D. Callister, 8th edition, “Materials Science and Engineering ”


    25
    _ 26
    Sketching a Plane (011) within a cubic unit
    cell

    Adapted from W. D. Callister, 8th edition, “Materials Science and Engineering ”


    27

    {100} = (100), (010), (001), (100), (010), (001)


    28

    {100} = (100), (010), (001), (100), (010), (001)

    • Planes having similar indices are equivalent


    • (100), (010), (001) → Cube faces
    • All (100) combinations → Family of Planes
    (including negative indices)
    Family of Planes {hkl}
    29
    30

    Planes and their negatives


    are identical
    31

    Planes and their multiples


    are not identical
    32
    Crystal Directions (Miller Indices) 33

    • represented in terms of three


    axes with reference to Origin;
    r = r1X+r2Y+r3Z
    • Miller indices are vector
    components of the direction
    resolved along coordinates
    axes
    • [hkl], family <hkl>
    Family of Directions 34

    <100> directions:

    (100) & [100] are perpendicular in cubic system


    _ 35
    Q. Draw a (111) plane in the unit cell of a
    cubic crystal. Show all the <110> directions
    that lie on this plane and write the Miller
    indices of those directions.
    36

    Hexagonal Crystals

    A unit cell of Hexagonal system Generation of Hexagonal prism


    unit cell
    • Four basis vectors;
    three are coplanar
    (a1, a2, a3)

    37
    38

    Hexagonal Crystals
    c
    • a1, a2, a3 and c axes
    • Miller-Bravais indices (hkil),
    [hkil]
    • h + k = -i
    • Miller-Bravais indices of Basal
    plane and a1-axis direction?
    Miller-Bravais Indices
    • (hkil), i = -(h+k)
    • For the plane
    shown: intercepts
    are _(1, 1, -1/2, 1/2)
    • (1122)

    39
    Miller-Bravais Indices

    __
    [100] → [2110]

    Self-study

    40
    Interplanar Spacing 41

    • spacing between the first such plane (hkl)


    and a parallel plane passing through the
    origin
    In cubic crystals:
    42
    43
    Interatomic Forces 44

    Adapted from W. D. Callister, 8th edition, “Materials Science and Engineering ”


    Interatomic Potential Energy 45

    Adapted from W. D. Callister, 8th edition, “Materials Science and Engineering ”


    46

    Interatomic Forces and


    Potential Energy

    Adapted from W. D. Callister, 8th edition, “Materials Science and Engineering ”


    Energy vs. Packing 47

    • Dense, ordered packing Energy

    typical neighbour
    bond length

    typical neighbour r
    bond energy
    • Non dense, random packing
    Relatively lower energies for Dense, Ordered
    Energy packed structures

    typical neighbour
    bond length

    typical neighbour r
    bond energy
    48

    • At T > 0 K, atoms vibrate


    about their mean positions
    • Mean bond length↑ as T↑

    “Thermal Expansion”
    Closed Packed Structures 49

    vs.

    coordination # 6 coordination # 4
    50

    Adapted from W. D. Callister, 8th edition, “Materials Science and Engineering ”


    51

    Adapted from W. D. Callister, 8th edition, “Materials Science and Engineering ”


    Stacking Sequence ABAB.. 52

    Adapted from W. D. Callister, 8th edition, “Materials Science and Engineering ”


    Stacking Sequence ABCABC.. 53

    Adapted from W. D. Callister, 8th edition, “Materials Science and Engineering ”


    A A 54

    B B
    C A
    A B
    B A
    C B
    . .
    . .
    . .
    55
    APF (Atomic Packing Factor)

    Volume of atoms in unit cell


    APF =
    Volume of unit cell
    Simple Cubic (SC) 56

    • Close-packed directions are cube edges

    r = 0.5a

    • APF for a SC structure = 0.52


    Body Centered Cubic (BCC) 57

    • Atoms touch each other along cube


    diagonals

    r
    a

    • APF for a BCC structure = 0.68


    Face Centered Cubic (FCC) 58

    • Atoms touch each other along face


    diagonals

    2a

    • APF for an FCC structure = 0.74


    c/2

    a/3
    2a/3

    59
    Hexagonal Close-Packed (HCP) 60

    A sites Top layer

    c B sites Middle layer

    A sites Bottom layer


    a

    • APF = 0.74, Solve it

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