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    Crystal Structures I

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    Sam
    The three characteristics of a material that determine its mechanical properties are its bond strength, crystal structure, and crystal morphology. Bond strength and crystal structure influence properties like modulus of elasticity and resilience, while all three characteristics impact properties such as yield stress, ultimate tensile strength, ductility, and toughness. Common crystal structures include body-centered cubic (BCC), face-centered cubic (FCC), and hexagonal close-packed (HCP), each with different atomic packing densities and arrangements that produce distinct mechanical behaviors. Crystal morphology refers to grain shape, size, and distribution within a material, which also influences its mechanical response.

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    Crystal Structures I

    Uploaded by

    Sam
    45 views28 pages
    The three characteristics of a material that determine its mechanical properties are its bond strength, crystal structure, and crystal morphology. Bond strength and crystal structure influence properties like modulus of elasticity and resilience, while all three characteristics impact properties such as yield stress, ultimate tensile strength, ductility, and toughness. Common crystal structures include body-centered cubic (BCC), face-centered cubic (FCC), and hexagonal close-packed (HCP), each with different atomic packing densities and arrangements that produce distinct mechanical behaviors. Crystal morphology refers to grain shape, size, and distribution within a material, which also influences its mechanical response.

    Original Description:

    Materials 278 lecture notes

    Original Title

    8. Crystal Structures I(2)

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    The three characteristics of a material that determine its mechanical properties are its bond strength, crystal structure, and crystal morphology. Bond strength and crystal structure influence properties like modulus of elasticity and resilience, while all three characteristics impact properties such as yield stress, ultimate tensile strength, ductility, and toughness. Common crystal structures include body-centered cubic (BCC), face-centered cubic (FCC), and hexagonal close-packed (HCP), each with different atomic packing densities and arrangements that produce distinct mechanical behaviors. Crystal morphology refers to grain shape, size, and distribution within a material, which also influences its mechanical response.

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    © All Rights Reserved
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    Download as pdf or txt
    45 views28 pages

    Crystal Structures I

    Uploaded by

    Sam
    The three characteristics of a material that determine its mechanical properties are its bond strength, crystal structure, and crystal morphology. Bond strength and crystal structure influence properties like modulus of elasticity and resilience, while all three characteristics impact properties such as yield stress, ultimate tensile strength, ductility, and toughness. Common crystal structures include body-centered cubic (BCC), face-centered cubic (FCC), and hexagonal close-packed (HCP), each with different atomic packing densities and arrangements that produce distinct mechanical behaviors. Crystal morphology refers to grain shape, size, and distribution within a material, which also influences its mechanical response.

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    of 28

    8.

    Crystal Structures I

    APSC278 by Warren Poole and Anoush Poursartip


    Question

    “What three characteristics of a material


    determine its mechanical properties?

    2
    Learning objectives
    • Describe crystal structure, crystal
    morphology and microstructure
    • Describe and perform simple calculations
    (APF, density, coordination number) with
    BCC, FCC, and HCP crystal structures

    3
    Relationship Between Chemistry (bond strength), Crystal
    Structure, Crystal Morphology and Mechanical Properties
    Bond strength, crystal structure and crystal morphology determine
    mechanical properties including:

    • Modulus of Elasticity – bonding and crystal structure


    • Resilience – bonding, crystal structure Elastic
    • Yield Stress - bonding, crystal structure, morphology
    • Ultimate Tensile Strength - bonding, crystal structure, morphology
    • % elongation - bonding, crystal structure, morphology
    • % reduction in area - bonding, crystal structure, morphology Plastic
    • Toughness - bonding, crystal structure, morphology

    The crystal structure and crystal morphology constitute the


    microstructure of the material

    APSC278 by Warren Poole and Anoush Poursartip


    Crystal structure and Young’s modulus (E)
    E depends on bond type. What about crystal structure?

    • The terms BCC and FCC refer


    to different crystal structures:
    • Each phase (crystal structure)
    will have different mechanical,
    thermal and electrical
    properties
    • From the plot, the phases have
    different atomic packing
    densities and therefore
    different E
    • They also exhibit different
    thermal regimes of stability

    Note: the use of the term phase to


    refer to solids with different crystal
    structures.
    APSC278 by Warren Poole and Anoush Poursartip
    Crystal definition from Wikipedia
    • “A crystal or crystalline solid is a solid material whose constituents,
    such as atoms, molecules or ions, are arranged in a highly ordered
    microscopic structure, forming a crystal lattice that extends in all
    directions.”

    APSC278 by Warren Poole and Anoush Poursartip


    Crystal morphology
    Refers to shape and size of crystals (grains) – e.g. coarse,
    elongated (columnar), equiaxed, fine.

    Columnar grains

    Equiaxed grains

    Schematic of crystal morphology changes during open die


    Actual as-cast
    hot forging (referred to as wrought microstructure)
    microstructure

    APSC278 by Warren Poole and Anoush Poursartip


    Structure of Crystalline Solids

    • All materials are made from basic building blocks


    – Crystalline metals and ceramics have a regular
    repeating unit cells
    – Glass (silica tetrahedra)
    – Polymers (“mer” unit cell)

    APSC278 by Warren Poole and Anoush Poursartip


    Body Centred Cubic (BCC)
    Structure

    Aggregate of many
    grains, within the
    material being
    Aggregate of many
    processed.
    atoms, within a grain

    APSC278 by Warren Poole and Anoush Poursartip


    Body Centred Cubic (BCC)
    Structure

    Hard sphere unit


    cell representation

    Reduced sphere
    unit cell
    Aggregate of many atoms representation

    APSC278 by Warren Poole and Anoush Poursartip


    Body Centred Cubic (BCC)
    • Mo, Nb, Cr, W and V, Fe
    (below 910 0C), Ti (above
    883 0C)
    • Number of atoms per unit
    cell
    =1 + 8 x 1/8 = 2
    • Coordination number
    – Number of nearest
    neighbours CN = 8
    • Close packed directions
    – Cube Diagonals

    APSC278 by Warren Poole and Anoush Poursartip


    BCC
    Unit Cell Length 2a
    a = lattice parameter

    R = atomic radius 4R
    3a
    3a  4 R
    4R 4 3
    a  R
    3 3
    a

    APSC278 by Warren Poole and Anoush Poursartip


    Face Centred Cubic (FCC)
    Structure
    Hard
    sphere
    unit cell
    represen
    -tation

    Reduced
    sphere
    unit cell
    Aggregate of many atoms
    represen
    -tation
    APSC278 by Warren Poole and Anoush Poursartip
    Face Centred Cubic (FCC)
    • Al, Cu, Ni, Au, Ag, Pb,
    Fe (above 910 oC),
    Co(above 417 oC)
    • Number of atoms per unit
    cell
    =6 x ½ + 8 x 1/8 = 4
    • Close packed directions
    – Diagonals on faces of unit
    cells

    APSC278 by Warren Poole and Anoush Poursartip


    Face Centred Cubic (FCC)
    • Coordination number
    – Number of nearest
    neighbours CN = 12

    APSC278 by Warren Poole and Anoush Poursartip


    FCC
    Unit Cell Length

    a = lattice parameter

    R = atomic radius
    2a
    2a  4 R 4R

    4R
    a  (2 2 )  R
    2
    a

    APSC278 by Warren Poole and Anoush Poursartip


    Hexagonal Closed Pack (HCP)
    Structure

    Aggregate of many atoms Reduced sphere unit


    cell representation
    APSC278 by Warren Poole and Anoush Poursartip
    Hexagonal Closed Pack (HCP)
    • Mg, Zn, Zr, Cd BASAL PLANE
    Ti (below 883 C),
    Co (below 417 C)
    • Number of atoms per unit
    cell
    =3 + 2 x ½ +12 x 1/6 = 6

    • Close packed directions


    – Basal plane – 3 directions

    APSC278 by Warren Poole and Anoush Poursartip


    Hexagonal Closed Pack (HCP)

    • Coordination number
    – Number of nearest
    neighbours CN = 12

    APSC278 by Warren Poole and Anoush Poursartip


    Comparisons

    BCC
    FCC

    APSC278 by Warren Poole and Anoush Poursartip


    Calculation of Atomic Packing
    Factors (APF)
    APF = (volume of atoms in unit cell)/(unit cell volume)

    For FCC:
    # atoms  volume per atom
    APF 
    a3
    4 3
    4  R
     3  0.74
    3
    (2 2 R)

    =74%

    APSC278 by Warren Poole and Anoush Poursartip


    Calculation of Atomic Packing
    Factors (APF)
    APF = (volume of atoms in unit cell)/(unit cell volume)
    For BCC:
    # atoms  volume per atom
    APF 
    a3
    4 3
    2  R
    3  0.68
    3
    (4 R / 3 )

    =68%

    APSC278 by Warren Poole and Anoush Poursartip


    Summary
    Structure Atoms per Coordination APF
    unit cell number

    BCC 2 8 0.68

    FCC 4 12 0.74

    HCP 6 12 0.74

    APSC278 by Warren Poole and Anoush Poursartip


    Density Calculation
    Density, r = (mass)/(unit unit volume)=(kg/m3)
    Theoretical Density rTh = (mass of atoms in unit cell)/(volume
    of unit cell)
    𝑛𝐴𝑖
    ρ 𝑇ℎ =
    𝑉𝑐 𝑁𝐴

    where
    n = number of atoms per unit cell
    Ai = Atomic weight g/mol – e.g MWi
    Vc = unit cell volume = a3
    NA = Avogadro’s Number (6.023 x 1023
    atoms/mol)

    APSC278 by Warren Poole and Anoush Poursartip


    Question

    “What three characteristics of a material


    determine its mechanical properties?

    25
    Learning objectives
    • Describe crystal structure, crystal
    morphology and microstructure
    • Describe and perform simple calculations
    (APF, density, coordination number) with
    BCC, FCC, and HCP crystal structures

    26
    Example 1
    • Calculate the theoretical density of Cu.
    • Cu has an FCC crystal structure at room temperature, an atomic
    Radius, R, of 0.128nm and a molecular weight of 63.5 gm/mole

    APSC278 by Warren Poole and Anoush Poursartip


    Example 2
    • On cooling, Fe transforms from an FCC structure above 912
    C to a BCC structure below 912 C. Assuming a hard sphere
    model, what percentage change in volume will accompany
    this change ?

    APSC278 by Warren Poole and Anoush Poursartip

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