Chapter 2 Atomic Structure, Bonding


E   Fdr A A
ER 
B
%IC  100 * 1  e 0.25( X A  X B ) 
2
EA   FA   
r r r2 rn
A
 Z q  Z q 
1 2 n = 1, 2, … l = 0 to n-1 (s p d f) m = -l to +1 s = ±1/2
4 0
A, B, n Material constants r Separation distance between two atoms/ions
E Potential energy between two atoms/ions XA Electronegativity value of the more
EA Attractive energy between two atoms/ions electronegative element for compound BA
ER Repulsive energy between two atoms/ions XB Electronegativity value of the more
F Force between two atoms/ions electropositive element for compound BA

Chapter 3 Crystal Structure

4R 4(rA  rC ) a 2c 3
a  2R 2 a for ZnS: a  for HCP, Vc (entire hex. cell) = 3
3 3 2
vol. atoms in cell # atoms centered on plane # atoms centered on vector
APF  PD  LD 
cell volume area of plane length of vector
nA n '   AC   AA 
 
VC N A VC NA
rC/rA: < 0.155 0.155-0.225 0.225 – 0.414 0.414 – 0.732 0.732 – 1.000
CN (lattice): 2 3 4 (ZnS) 6 (NaCl) 8 (CsCl)
directions: (move) projections, integers [], <> planes: (move) intercepts, reciprocals, reduction (), {}
a Unit cell edge length for cubic structures; n Number of atoms in unit cell
unit cell x-axial length n’ Number of formula units in unit cell
A Atomic weight R Atomic radius
 AA Sum atomic weights anions in formula unit V C Unit cell volume
ρ Density; theoretical density
A C
Sum atomic weights cations in formula unit

Chapter 4 Polymer Structures

c  s  a 
Mn   xi Mi Mw  wi Mi DP 
Mn
m   f j mj % crystallinity  x100
m s  c  a 

fj Mole fraction of repeat unit j in a copolymer wi Weight fraction of molecules that lie within
chain the size range i
m Repeat unit molecular weight a Density of a totally amorphous polymer
Mi Mean molecular weight within size range i c Density of a completely crystalline polymer
mj Molecular weight of repeat unit j in a s Density of polymer specimen for which
copolymer chain percent crystallinity is to be determined
Fraction of the total number of molecular
chains that lie within the size range

Chapter 5 Imperfections
NA 
Q
 v m1 nm1
Nv  Ne kT
N C1  x100 C '1  x100
A m1  m2 nm1  nm 2
C1A2 C '1 A1 C1
C '1  x100 C1  x100 C1''  x103
C1A2  C2 A1 C '1 A1  C '2 A2 C1 / 1  C2 / 2
100 100
ave  Aave 
C1 / 1  C2 /  2 C1 / A1  C2 / A2
A Atomic weight C’ atom %
k Boltzmann's constant C’’ mass/volume
1.38x10-23 J/atomK nm1, nm2 Number of moles of elements 1 and 2 in an
8.62x10-5 eV/atomK alloy
m1, m2 Masses of elements 1 and 2 in an alloy Qv Energy required for the formation of a
NA Avogadro's #, 6.022x1023 atoms/mol vacancy
C wt%  Density

Chapter 6 Diffusion
M dC C  2C Cx  C0  x 
Qd
P
J

J = D = D  1  erf  D  D0e RT
J  PM x  2Dt
At dx t x 2 Cs  C0  x
 2 Dt 

A Cross-sectional area perpendicular to direction P Difference in gas pressure between the two
of diffusion sides of a polymer membrane
A Concentration of diffusing species Pm Permeability coefficient for steady-state
C0 Initial concentration of diffusing species prior diffusion through a polymer membrane
to the onset of the diffusion process Qd Activation energy for diffusion
Cs Surface concentration of diffusing species R Gas constant (8.31 J/mol-K)
Cx Concentration at position x after diffusion t Elapsed diffusion time
time x Position coordinate (or distance) measured in
D Diffusion coefficient the direction of diffusion, normally from a solid
D0 Temperature-independent constant surface
M Mass of material diffusing x Thickness of polymer membrane across which
diffusion is occurring
Chapter 7 Mechanical Properties
x  A0  Af
   y %RA  x100 T 
F
T  
Li dL
T  ln
A0 D
 2ln 0 T  ln
li
z z A0 Ai L0 L A D l0
before necking: T  ln(  1), T   (1   )  K Tn 3Ff L Ff L lf  l0  (t ) y
 fs   fs  %EL  x100 E r (t )  w 
2bd 2  R3 l0 0 N

A0 Specimen cross-sectional area prior load li Instantaneous specimen length during load
application application
Af Specimen cross-sectional area at the point of N Factor of safety
fracture n Strain-hardening exponent
Ai Instantaneous specimen cross-sectional area n Experimental constant
during load application TS Tensile strength
b,d Width and height of flexural specimen 0 Strain level—maintained constant during
having a rectangular cross section viscoelastic relaxation modulus tests
E Modulus of elasticity (tension and xy Strain values perpendicular to the direction
compression) of load application (i.e., the transverse
F Applied force direction)
Ff Applied load at fracture z Strain value in the direction of load
HB Brinell hardness application (i.e., the longitudinal direction)
K Material constant (t) Time-dependent stress—measured during
L Distance between support points for flexural viscoelastic relaxation modulus tests
specimen y Yield strength
l0 Specimen length prior to load application
lf Specimen fracture length
Chapter 8 Deformation, Strengthening
 R   cos  cos   crss  y   0  k y d 1/2 A0  Ad d n  d 0n  Kt
y  %CW  x100
 cos  cos  max A0

A0 Specimen cross-sectional area prior to n Grain size exponent—for some materials

deformation has a value of approximately 2
Ad Specimen cross-sectional area after  Angle between the tensile axis and the slip
deformation direction for a single crystal stressed in
d Average grain size; average grain size tension
during grain growth  Angle between the tensile axis and the
d0 Average grain size prior to grain growth normal to the slip plane for a single crystal
K, ky Material constants stressed in tension
Mn Number-average molecular weight 0 Material constant
t Time over which grain growth occurred y Yield strength

Chapter 9 Failure
a  max   min  max   min
 m = 2 0 Kc = Y a m   r   max   min a 
t 2 2
Q
 min 16FL   c
R    l E T  s   K1 n  K 2 e
n RT da
 C  K 
m

 max  d03 t dN
m m
 1  1
1 af 2
 ai 2
Nf 
 
m
m
C Y    1
2

a Length of a surface crack T Temperature difference or change

C Creep constant; normally has a value of tr Rupture lifetime
about 20 (for T in K and tr in h) Y Dimensionless parameter or function
C Material constant Y
d0 Diameter l Linear coefficient of thermal expansion
F Max applied load s Strain rate, steady state regime
Kc Fracture toughness t Crack tip radius
K1 , K2 , n Creep constants that are independent of
 Applied stress
stress and temperature
0 Applied tensile stress
L distance between loadbearing points
m Material constant a Stress amplitude (cyclic)
Qc Activation energy for creep m Mean stress (cyclic)
R Gas constant (8.31 J/mol-K) r Stress range (cyclic)
R Stress ratio max Maximum stress (cyclic)
T Absolute temperature min Minimum stress (cyclic)

Chapter 10 Phase Diagrams

W /  V 
V  W 
W /   W /   V   V  

V, V Volumes of  and  phases ,  Densities of and  phases

W, W Mass fractions of  and  phases
Chapter 11 Phase Transformations
2 16 3 Hf Tm  T 
r*   G *  Gv  y  1  e  kt
n
rate  1/ t0.5
Gv 3  Gv 
2
Tm

G* Activation free energy T Temperature (K)

GV Volume free energy Tm Equilibrium solidification temperature (K)
Hf Latent heat of fusion t0.5 Time to reach 50% completion
k, n Time-independent constants y Fraction of transformation
r* Critical radius

Values, Constants
e-0.25 = 0.78, e-0.5 = 0.61, e-1 = 0.36
2  1.414 1/ 2  0.707 3  1.732 1/ 3  0.577
Avogadro's number, NA = 6.022 x 1023 q = 1.602x10-19 C
R 8.31 J/mol-K k = 1.38x10 J/atom-K = 8.62x10-5 eV/atom-K
-23

degrees 15° 30° 45° 60° 75°

radians  /12  /6  /4  /3   /12
1 2 3
sin 0.26 , 0.5 , 0.71 2
, 0.87 0.97
2 2
3 2 1
cos 0.97 , 0.87 2
, 0.71 2
, 0.5 0.26
2
n
a  b  a b cos   a b
i 1
i i

a  aa
 
 u1u2  v1v2  w1w2 
 cos 1 

  u12  v12  w12  u22  v22  w22  

 Atomic #  Atomic Wt  Density of Crystal  Atomic R  Ionic R Radius  Common  Melting Point 
3
Element  Symbol  (amu)  (g/cm ) at 20°C  (nm)  (nm)  Valence  (°C) 
Aluminum  Al  13  26.98  2.71  FCC  0.143  0.053  3+  660.4 
Barium  Ba  56  137.33  3.5  BCC  0.217  0.136  2+  725 
Beryllium  Be  4  9.012  1.85  HCP  0.114  0.035  2+  1278 
Boron  B  5  10.81  2.34  Rhomb.  —  0.023  3+  2300 
Bromine  Br  35  79.9  —  —  —  0.196  ‐1  ‐7.2 
Cadmium  Cd  48  112.41  8.65  HCP  0.149  0.095  2+  321 
Calcium  Ca  20  40.08  1.55  FCC  0.197  0.1  2+  839 
Carbon  C  6  12.011  2.25  Hex.  0.071  0.016  4+  (sublimes at 3367) 
Cesium  Cs  55  132.91  1.87  BCC  0.265  0.17  1+  28.4 
Chlorine  Cl  17  35.45  —  —  —  0.181  ‐1  ‐101 
Chromium  Cr  24  52  7.19  BCC  0.125  0.063  3+  1875 
Cobalt  Co  27  58.93  8.9  HCP  0.125  0.072  2+  1495 
Copper  Cu  29  63.55  8.94  FCC  0.128  0.096  1+  1085 
Gallium  Ga  31  69.72  5.9  Ortho.  0.122  0.062  3+  29.8 
Germanium  Ge  32  72.64  5.32  Dia.cubic  0.122  0.053  4+  937 
Gold  Au  79  196.97  19.32  FCC  0.144  0.137  1+  1064 
Helium  He  2  4.003  —  —  —  —  Inert  ‐272 
Hydrogen  H  1  1.008  —  —  —  0.154  1+  ‐259 
Iodine  I  53  126.91  4.93  Ortho.  0.136  0.22  ‐1  114 
Iron  Fe  26  55.85  7.87  BCC  0.124  0.077  2+  1538 
Lead  Pb  82  207.2  11.35  FCC  0.175  0.12  2+  327 
Lithium  Li  3  6.94  0.534  BCC  0.152  0.068  1+  181 
Magnesium  Mg  12  24.31  1.74  HCP  0.16  0.072  2+  649 
Manganese  Mn  25  54.94  7.44  Cubic  0.112  0.067  2+  1244 
Mercury  Hg  80  200.59  —  —  —  0.11  2+  ‐38.8 
Molybdenum  Mo  42  95.94  10.22  BCC  0.136  0.07  4+  2617 
Nickel  Ni  28  58.69  8.9  FCC  0.125  0.069  2+  1455 
Niobium  Nb  41  92.91  8.57  BCC  0.143  0.069  5+  2468 
Nitrogen  N  7  14.007  —  —  —  0.01–0.02  5+  ‐209.9 
Oxygen  O  8  16  —  —  —  0.14  ‐2  ‐218.4 
Phosphorus  P  15  30.97  1.82  Ortho.  0.109  0.035  5+  44.1 
Platinum  Pt  78  195.08  21.45  FCC  0.139  0.08  2+  1772 
Potassium  K  19  39.1  0.862  BCC  0.231  0.138  1+  63 
Silicon  Si  14  28.09  2.33  Dia.cubic  0.118  0.04  4+  1410 
Silver  Ag  47  107.87  10.49  FCC  0.144  0.126  1+  962 
Sodium  Na  11  22.99  0.971  BCC  0.186  0.102  1+  98 
Sulfur  S  16  32.06  2.07  Ortho.  0.106  0.184  ‐2  113 
Tin  Sn  50  118.71  7.27  Tetra.  0.151  0.071  4+  232 
Titanium  Ti  22  47.87  4.51  HCP  0.145  0.068  4+  1668 
Tungsten  W  74  183.84  19.3  BCC  0.137  0.07  4+  3410 
Vanadium  V  23  50.94  6.1  BCC  0.132  0.059  5+  1890 
Zinc  Zn  30  65.41  7.13  HCP  0.133  0.074  2+  420 
Zirconium  Zr  40  91.22  6.51  HCP  0.159  0.079  4+  1852