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Materials Science Formulas & Conversions

This document provides formulas and conversion factors relevant to introductory materials science. It defines important constants like the universal gas constant R, Boltzmann constant k, and Avogadro's number NA. It also gives conversions between units of length, temperature, pressure and energy. Additionally, it summarizes key properties of common crystal structures like simple cubic, body centered cubic, face centered cubic and hexagonal close packed lattices.

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Lee Song Han
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536 views2 pages

Materials Science Formulas & Conversions

This document provides formulas and conversion factors relevant to introductory materials science. It defines important constants like the universal gas constant R, Boltzmann constant k, and Avogadro's number NA. It also gives conversions between units of length, temperature, pressure and energy. Additionally, it summarizes key properties of common crystal structures like simple cubic, body centered cubic, face centered cubic and hexagonal close packed lattices.

Uploaded by

Lee Song Han
Copyright
© All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
  • Formulas & Conversion Factors
  • Crystal Structures

FORMULAS & CONVERSION FACTORS: INTRO MATERIALS SCIENCE

Universal gas constant


R = 8.314 J/mol.K ;
Related to k and NA by R = NA . k
Boltzmann constant
k = 1.38x10-23 J/atom.K = 8.62x10-5 eV/atom.K
Avogadros number
NA = 6.023x1023 molecules/mol
.
Conversions
1 eV = 1.6x10-19 J
or
1 J = 6.24x1018 eV
1 nm = 10-9 m; 1 m = 10-6 m; 1 mm = 10-3 m
T(K) = 273 + T(C)
1 Pa = 1 N/m2;
1 MPa = 0.145 ksi
1 ksi in = 1.1 MPa.m
.
Contact Simple Cubic 2R = a
FCC 4R = a2
BCC 4R = a3
HCP 2R = a, c = 1.633 a
APF = 0.52
APF = 0.74
APF = 0.68
APF = 0.74
1 atom/cell
4 atoms/cell
2 atoms/cell
6 atoms/hexagonal cell
CN = 6
CN = 12
CN = 8
CN = 12
.
Atomic packing factor = APF = (volume of atoms in a unit cell) / (total unit cell volume)
Linear density LD = (# of atoms centered on direction vector) / (length of direction vector)
Planar density PD = (# of atoms centered on a plane) / (area of plane)
Coordination number CN = # of closest neighbors
.
nA
"=
= mass density; n = # of atoms per unit cell A = atomic weight (g/mol)
VC NA
VC = volume of unit cell
NA = Avogadros number (6.023x1023 atoms/mol)
.
a
Braggs law
Cubic crystals: d hkl =
2 d hkl sin" = n #
h2 + k 2 + l2
Simple Cubic:
all h, k, l available for diffraction to occur: (100), (110), (111), (200), (211)
BCC:
h + k + l = even for diffraction to occur: (110), (200), (211), (220), (310)
FCC:!
h, k, l all odd or all even for diffraction to occur: (111), (200), (220), (311), (222)
.
# Qv &
# Qv &
!
Nv = N exp% "
=
N exp%"
Vacancies
(
(
$ kT '
$ RT '
Qv [eV/atom]k = 8.62x10-5 eV/atom.K
Qv [J/mol]R = 8.314 J/mol.K
Nv = equilibrium # of vacancies; Qv = energy required to form a vacancy
N "
N = total # of atomic sites;
N = A # of atomic sites per m3
!
A
__________________________________________________________________________________________
m1
"100
Composition weight % C1 =
m1 mass (grams) of component 1, etc.
m1 + m2
!
n
m1(grams)
m1
#100
Composition atom % C1" =
number of moles n m1 =
n m1 + n m2
A(grams / mol)
A = atomic weight (g/mol)
!
C
A
C
A
1 2
2 1
#100 ; C2" =
#100
Conversions C1" =
C1A2 + C2 A1
C1A2 + C2 A1 !
!
C1"A1
C2"A2
C1 =
#100 ; C2 =
#100
C1"A1 + C2"A2
C1"A1 + C2"A2
!
!
100
C #A + C2#A2
100
C #A + C2#A2
Averages
"ave =
= 1 1
;
Aave =
= 1 1
;
C1 C2 C #A
C1 C2
100
#
C
A
+
+
1 1
2 2
"1 "2 ! " + "
A1 A2
!
1

_________________________________________________________________________________________
" M %2
n(1
Grain size number n at magnification M: NM $
' = 2 ; NMaverage # of grains/sq. inch @ magnific. M
# 100 &
!
Grain size number n at magnification 100X: N = 2 n"1 Naverage # of grains/sq. inch @ magnific. 100X
_________________________________________________________________________________________
!
!

BODY CENTERED CUBIC (BCC)

FACE CENTERED CUBIC (FCC)

HEXAGONAL CLOSE PACKED (HCP)

A
sites
B
sites
A
sites

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