Revision of the main concepts in materials engineering 2

Tessaleno C. Devezas

UNIVERSIDADE ATLÂNTICA
 Materials Engineering – Revision 2

Crystalline structures
Most metals crystallize as: SC, BCC, FCC, HCP
Hexagonal close packed

Important factors to consider:

1) Relation of the atomic radius r and the unity cell parameter a0;
2) Number of atoms per unity cell;
3) Packing factor.
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Crystalline structures
There are other possible symmetries, but the most commom are sc, fcc, bcc, hcp
 Materials Engineering - Revision

Crystalline structures
 Materials Engineering - Revision

Crystalline structures
 Materials Engineering - Revision

Crystalline structures
1 - Relation of the atomic radius r and the unity cell parameter a0

sc – a0 = 2r; bcc - fcc – hcp - a0 = 2r, c = 1,633 a0

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Crystalline structures
2 – Number of atoms per unit cell
at the corners – 1/8

at the faces – 1/2

in the middle - 1
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Crystalline structures
2 – Number of atoms per unit cell
cfc - 8 x 1/8 + 6 x 1/2 = 4

bcc - 8 x 1/8 + 1 = 2
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Crystalline structures
2 – Number of atoms per unit cell
sc - 8 x 1/8 = 1

hcp - 3 + 2/2 + 12/6 = 6

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Crystalline structures
3 – Packing factor

Ex = fcc –

In the same way we have: sc – f = 0,52, bcc – f = 0, 68, hcp – f = 0,74 (= fcc)
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Crystalline structures
Theoretical density – ρ t = mass of atoms per uc/ volume of unity cell
= number of atoms per uc x mass of atoms/ volume of uc
Mass of 1 atom = atomic mass /N (Avogadro number)
N = 6,022 x 10 23 atoms/mol
Ex – density of iron bcc – a0 = 0,2866 nm; MA = 55,845 g/mol
Calculation - ρt = 7,789 g/cm3*
• (real ρ = 7,78 g/cm3 – commonly ρt is slightly different than ρ – reason= defects!)

Ex: density of cupper – MA = 63,5 g/mol; (see table for atomic radius)
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Crystalline structures
Obs: metals – atoms of equal size

fcc bcc hcp

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Crystalline structures
Ceramics – cations < anions – cations are located in the intersticial sites within the lattice
formed by the anions – it will depend of the reason rcation / ranion and charge equilibrium

CaF2 Al2O3 CsCl

BaTiO3 (Perovskita)
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Diamond Graphite Fullerene Carbon nanotube

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Important note: number of atoms in bulk materials

Iron pin head – volume = 1 mm3

1 mm How many iron atoms are there in it? (guess)

d = 7.87 g/cm3 MA = 55.85 g/mol

NA – 6,023 x 1023 atoms/mol

Then, in 1 mm3 we have ~ 8,6 x 1019 atoms!!!

86.000.000.000.000.000.000

a mind-boggling number!!