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Bonding Force
F(attractive) - F(repulsive) at r
Potential energy(-Bonding energy)
PE = PE(attractive) + PE(repulsive) = -BE
How to find r0
r0 where slope of PE = 0, so differentiate PE
how to find BE
plug r0 into PE equation and multiple result by -1
How to find Fmax
Max is where slope of F = 0, so differentiate F, Fmax negative bc force to break bond
dF/dr at r0
resistance to deformation
thermal expansion coefficient
1/T(r-r0)/r0, where r = average separation
crystalline materials
atoms pack in periodic 3D arrays, metals, ceramics, some polymers
noncrystalline(amorphous) materials
atoms have no periodic packing, occurs for long chain polymers
crystal structure
ordered arrangements of atoms, ions, or molecules in a crystal structure
crystal structure =
lattice + basis
Lattice
a regularly spaced array of points
Space lattice parameters
6: 3 side lengths, 3 angles
Unit Cell
smallest portion of crystal lattice that shows 3D pattern of entire crystal
7 crystal systems
cubic, tetragonal, hexagonal, rhombohedral, orthorhombic, monoclinic, triclinic
cubic
a=b=c, angles = 90
tetragonal
a=b=!c, angles = 90
orthorhombic
no sides same, angles = 90
monoclinic
no sides same, A=B=90, C=!90
Rhombohedral
a=b=c, A=B=90, C=!90
Hexagonal
a=b=!c, A=B=90, C=120
Triclinic
no sides same, no angles same
Bravais lattices(14)
Simple(P), Body-centered(I), Base-centered(C), Face-centered(F)
Crystal Structures in Metallic Materials
Metallic materials densely packed bc metallic bonding not directional, atomic radii are same or close, electron cloud shield cores from each other
3 common structures in Metals
Face-centered cubic, Body-centered cubic, hexagonal close packed
Body-centered cubic (BCC)
2 atoms/unit cell, r = sqrt(3)a0/4, CN = 8, APF = .68
Face-centered Cubic (FCC)
4 atoms/unit cell, r = sqrt(2)a0/4, CN = 12, APF = .74
Hexagonal Close packed (HCP)
6 atoms/unit cell, c = 4sqrt(6)r/3, 2r=a, CN = 12, APF = .74
coordination number
number of nearest neighbors of each atom
atomic packing factor =
volume of atoms in unit cell/total unit cell volume
what do CN and APF tell us about a crystal?
bonding density and packing efficiency
estimation of material density =
atomic mass*(atoms/cell)/volume of unit cell
allotropy
possibility of the existence of two or more different crystal structures for a substance
polymorphism
ability of a solid material to exist in more than one form or crystal structure
ideal ratio c/a for hcp
1.633