Atomic Structure and Density Calculations
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ScribdTranslationsAtomic Structure and Density Calculations
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ScribdTranslationsExample 1 r = 143.
38 Pm
The gold crystallized in a cubic structure
packed (a cube centered on the faces) andtene
a density of 19.3 g/cm3 calculate the atomic radius
of gold in peak meters (1x10-9m) Example 2
Data: The crystallographic network parameter of molybdenum is e
0.314nm and its density at 20°C is 10.22g/cm3.
196.96 g/mol
Determine the crystal structure of molybdenum.
19.3 g/cm3
10.22 g/cm3.
Atoms per cell = 1/8 per corner * 8 corners = 1 +
a=0.314nm
½ atom per face * 6 faces = 3, Atoms per cell = 4
Atoms per cell = 4 atoms * 1 / (6.022 x 1023 Atomic mass = 95.94 g/mol (Periodic table)
Atoms/mol Density = Number of atoms * Atomic mass /
Avogadro's Number * Volume
Atoms per cell = 6.64x10-24Moles
n∗A
ρ=
A∗Vc
Grams = 6.64 x 10-24mol * 196.96 g/mol
(n¿¿ A∗V∗ρ)/
c A=n ¿
Grams = 1.30x10-21g
0.314nm = 1cm/1x107nm
Density = Mass / Volume
3.14x10-8cm
Volume = Mass / Density
Volume = 1.30 x 10-21g /19.3 g/cm3
Vc=(3.14x10-8cm )3
Volume = 6.73x10-23cm3
Vc= 3.095x10-24cm3
N=(6.022x1023Atoms/mol * 3.095x10-24cm3*
Volume = a3
10.22g/cm3)/ 95.94 g/mol
(Volume)1/3= a
N= 1.98 Atoms
(6.73x10-23)1/3cm3= a
N= 2 atoms, it is body-centered
a = 4.068 x 10-8cm
Example 3
0.04068X10 m = 1x10 Pm/1m = 406Pm
-8 12
Calculate the number of vacancies per m3in the copper in
equilibrium at 1000°C, the activation energy for the
training for the vacancy formation is 0.9
a= (8)1/2*r
electrovolts ev/atom; the atomic weight of copper is
r = a / (8)1/2 of 63.5 g/mol and a density of 8.4 g/cm3
r=406Pm /(8)1/2
N= (8.4 g/cm36.022x1023atomos)/63.65 g/mol v=a3 =1.8∗10−22 cm3
N=7.96x1028atoms/m3 Nas = 4 atoms
Nga=4 atoms
T=1000c + 273K = 1273K 74.92g 69.72g
ρ=
4
( mol )
+ 4(
mol
)
=5.33g/cm3
23 −22 3
Nv = 7.96 x 1028atomos/m3*e-(0.9 ev/atom) / (8.62 x 10^-5 ev/atom * 1723 K)
6.022∗10 mol/atom(1.8∗10 cm )
Nv= 2.18x1025
N V 2.18x1025vacancies/m3 volume of material 1cm3
= =2.74∗10−4esdec cell number= = =5.55∗
N 28
7.96 times 10 atoms/m3 cell volume 1.8∗10−22 cm3
Example 4
We have 16 grams per square inch in a
photomicrograph taken at a magnification of 250 axes.
What is the ASTM grain size number?
ASTM=
N=2N-1
n=ASTM grain size
N=number of grains per square inch times 100
16*100 = 1600
1600/250 = 6.4 grams/in2
6.4 is approximately 7
7 = 2n-1
Ln7 = Ln2(n-1)
1.94 = 0.69 (n-1)
1.94/0.69 = n-1
n = 2.83
N= 3.81, it rounds to 4
Example 5 the lattice constant of gallium arsenide
(GaAs) is 5.65A 'angstrom' demonstrate that its
The theoretical density is 5.33 g/cm3
A∗1∗10−10 m
∗100cm
1A
a 0=5.65 =5.65∗10−8cm
1m
Form 1.38x1023joules/atom-K
NaAvogadro's number = 6.022x1023Atoms/mole 8.62 times 10-5ev/atoms-k
T = absolute temperature (In degrees Kelvin)
n = Number of atoms
(n¿¿ A∗V∗ρ)/
c A=n ¿
∗A
ρ=
n A∗Vc
Atomic mass = (Periodic Table) ρ Density
Vc = Volume of the cell = a3 n Number of atoms
A Atomic Mass
Radio-First Relationship
n A Avogadro's number
Cubica Simple:
Vc Unit cell volume
a=2 r
Face-centered cubic:
N=2N-1
a=4r/ 3√
n=ASTM grain size
Face-centered cubic
N=number of grains per square inch times 100
a=4r/ 2√
Ln(N) = Ln2(n-1)
Coordination number
Simple cube: 6
Body-centered cubic: 8
Face-centered cubic: 12
Concentration of Vacancies
−−E v
K∗T
N V=N∗e b
NVJob number
N=Total number of atomic positions (N=* ρ A/
A¿
E vActivation energy for the formation of the
vacant (Electrovolts)
K b =Boltzmann constant