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Usually, We Include Only The Atoms Whose Centre Lies On The Plane (In The Areal Fraction
Usually, We Include Only The Atoms Whose Centre Lies On The Plane (In The Areal Fraction
Usually, We Include Only The Atoms Whose Centre Lies On The Plane (In The Areal Fraction
What is the true areal fraction of atoms lying in the (111) plane of a BCC crystal?
Areal fraction (area occupied by intersection of atoms with planes area of the plane) can
be calculated in two ways.
Usually, we include only the atoms whose centre lies on the plane (in the areal fraction
calculation).
However, in reality some atoms may intersect the plane ‘partially’ (e.g. the body centre
atom with the (111) plane).
In the example here we include the ‘partially intersecting atom’ in the areal fraction
calculation.
Areal fraction of atoms on (111) plane of BCC crystal
What is the true areal fraction of atoms lying in the (111) plane of a BCC crystal?
The areal fraction (area occupied by atoms: area of the plane) of the (111) plane in BCC
crystal is 3/16 = 0.34 (→ taking into account the atoms whose centre of mass lie on the
(111) plane).
However the (111) plane partially intersects the atom in the body centre position (as
shown in the figure below).
We now make a calculation of the areal density of atoms taking into account this partial
intersection.
At
2
Area Fraction Ao r
2 3 2
Area of planeinunit cell ( Ap ) 1 Ap 12 2a ) Sin 60 a
( face diagonal 2
BCC crystal 4r 3a
OC is the centre to corner distance = Body diagonal 2 = 3a/2
r1 r 2 h 2
2 3a 3a 3a BC (111) plane to corner distance = Body diagonal 3 = 3a/3
h
2 3 6
Looking parallel to the (111) plane
2 2
3a 3a
2 2
3a 3a 5 2
r1 r
1
2
a
4 6 4 6 48
5 a 2 1 2 r 2 3 a 2
Ao r Ac 3( r )
2
1
48 6 2 32
5 a 2 3 a 2 5 3 19
Ao a2 a2
48 32 48 32 96
19 2
At 96
a 19
Area Fraction 0.717 3a 3a
Ap 3 2 48 3
a 2 3
2