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L08 XRD5

The document discusses the concept of reciprocal lattice in materials characterization, explaining its relationship to diffraction patterns and crystal structures through Bragg's Law. It also covers the construction and properties of reciprocal lattices, including vector representations and their application in X-ray computed tomography for non-destructive 3D modeling. Additionally, it highlights the significance of reciprocal space in understanding crystal directions and spacing between diffracting planes.

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tanmay rahman
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0% found this document useful (0 votes)
8 views15 pages

L08 XRD5

The document discusses the concept of reciprocal lattice in materials characterization, explaining its relationship to diffraction patterns and crystal structures through Bragg's Law. It also covers the construction and properties of reciprocal lattices, including vector representations and their application in X-ray computed tomography for non-destructive 3D modeling. Additionally, it highlights the significance of reciprocal space in understanding crystal directions and spacing between diffracting planes.

Uploaded by

tanmay rahman
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
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MATL 5200/6200

Materials Characterization

XRD
- Reciprocal Space -

Auburn University Materials Engineering


Reciprocal Lattice

www.quantummadesimple.com
Auburn University Materials Engineering
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

Auburn University Materials Engineering


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

Auburn University Materials Engineering


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

Auburn University Materials Engineering


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

Auburn University Materials Engineering


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


Auburn University Materials Engineering
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 )
Auburn University Materials Engineering
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

Auburn University Materials Engineering


Real Lattice vs Reciprocal Lattice

 a* ⊥ a, b* ⊥ b, c* ⊥ c

 Real lattice
ruwv = ua + vb + wc
 Reciprocal lattice
*
rhkl = ua * + vb* + wc*

Auburn University Materials Engineering


Construction of a Reciprocal Lattice

Auburn University Materials Engineering


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!

Auburn University Materials Engineering


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

Auburn University Materials Engineering


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

Auburn University Materials Engineering


X-Ray Computed Tomography

Defect
Identification
for Quality
Control

Auburn University Materials Engineering

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