MATL 5200/6200
Materials Characterization
XRD
- Reciprocal Space -
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Reciprocal Lattice
www.quantummadesimple.com
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Reciprocal Lattice
Bragg’s Law shows that there is a
reciprocal relationship between the
plane spacing d and the diffraction
angle θ, we can therefore relate the
diffraction pattern to the crystal lattice
by a mathematical construct, the
reciprocal lattice.
The reciprocal lattice is a set of
imaginary points in which the direction
of a vector from one point to another Fun in reciprocal space, ©
corresponds to a direction normal to a The New Yorker Collection,
plane in a real lattice. 1991. John O’Brien, from
www.cartoonbank.com
The reciprocal lattice provides a vector Things can look very different
representation of crystal directions and in reciprocal space than in
spacing between diffracting planes. real space
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Laue’s Equations & Reciprocal Lattice
We can represent the Laue
equation graphically.
For diffraction to be
observed, the scattering
1/ λ
vector must end on a
reciprocal lattice point.
Points satisfying this criteria
represent planes.
* 1
d hkl =
d hkl
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Ewald Sphere X-rays
Rows of reciprocal lattice
points
The 111 reflection is
observed at a smaller
angle θ111 as compared
to the 222 reflection
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Example
Example of superlattice spots in a TEM diffraction pattern
The spots are
~periodically
arranged
[112]
[111] [011]
SAD patterns from a BCC
phase (a = 10.7 Å) in as-cast
Mg4Zn94Y2 alloy showing
important zones
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Reciprocal Lattice
Provides a vector representation of crystal directions and spacing
between diffracting planes.
Real Space (lattice parameters define lattice)
– a, b, c, α, β, γ
Reciprocal Space (just another type of lattice)
– a*, b*, c*, α*, β*, γ*
Real Space Reciprocal Space
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Recall: Vector Operations
Dot product (scalar product):
C
A B = A B cos θ
h2 + k 2 + l 2 h2 + k 2 + l 2 B
θ
Cross product (vector product):
A
A × B = C = A B sin θ
C isthe direction ⊥ A - B plane
Other useful relations (and there are more…)
A× B =C=− ( B × A)
A( B × C )= B ( C × A )= C ( A × B )
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Reciprocal Vectors
c* =
( a × b) area of base
c ⋅ (a × b) unit cell volume
1 1
= = = c*
height d 001
a*
(= b× c) (b × c )
a ⋅ (b × c ) V
b*
(=c ×a) (c × a )
b ⋅ (c × a ) V
c*
(=a × b) (a × b) V =a ⋅ ( b × c ) =b ⋅ ( c × a ) =c ⋅ ( a × b )
c ⋅ (a × b) V unit cell volume
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Real Lattice vs Reciprocal Lattice
a* ⊥ a, b* ⊥ b, c* ⊥ c
Real lattice
ruwv = ua + vb + wc
Reciprocal lattice
*
rhkl = ua * + vb* + wc*
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Construction of a Reciprocal Lattice
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Cubic Reciprocal Lattice
Every point on a reciprocal lattice represents a set of planes in the
real space crystal!
Reciprocal lattice vectors are 90° away from real space planes!
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X-Ray Computed Tomography
Uses x-rays to create cross-sections of a physical
object that can be used to recreate a virtual
model (3D model) without destroying the
original object.
X-Ray CT is a non-destructive
technique that visualizes
precise size shape and location
of internal features
• Sample is rotated through
360°
• Variability in X-Ray absorption
and transmission
• Series of 2-D radiographs for
3D reconstruction
• Generates complete 3-D
models of the component
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X-Ray Computed Tomography
XCT is based on x-ray attenuation, or the
reduction of the intensity of an x-ray
beam as it traverses matter.
The intensity of x-ray photons transmitted
through is found to decrease
exponentially with the distance
𝐼𝐼𝑡𝑡 = 𝐼𝐼0 𝑒𝑒 −𝐴𝐴𝐴𝐴
traversed in the medium as:
Uses x-rays to create cross-sections of a
physical object that can be used to
recreate a virtual model (3D model)
without destroying the original object.
Micro-CT has applications both in
medical imaging and in industrial
computed tomography by using
different x-ray absorption properties of
the materials involved
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X-Ray Computed Tomography
Defect
Identification
for Quality
Control
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