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Materials Science and Engineering Crystalline and Non-Crystalline Systems X-Ray Diffraction: Determination of Crystal Structure
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Materials Science and Engineering Crystalline and Non-Crystalline Systems X-Ray Diffraction: Determination of Crystal Structure.

Dec 15, 2015

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Reed Westry
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Page 1: Materials Science and Engineering Crystalline and Non-Crystalline Systems X-Ray Diffraction: Determination of Crystal Structure.

Materials Science and EngineeringCrystalline and Non-Crystalline SystemsX-Ray Diffraction: Determination of Crystal Structure

Page 2: Materials Science and Engineering Crystalline and Non-Crystalline Systems X-Ray Diffraction: Determination of Crystal Structure.

Crystalline and Non-Crystalline

Single Crystals◦Uninterrupted repeating

unit of a unit cell◦Often forms geometric

shapes◦Most solids form multiple

crystal orientations and breaks forming grains

Page 3: Materials Science and Engineering Crystalline and Non-Crystalline Systems X-Ray Diffraction: Determination of Crystal Structure.

Crystalline and Non-CrystallinePolycrystalline

◦Many crystalline grains in a microstructure

◦Is heavily influenced by cooling. Nucleation, Growth, and Formation of

Boundaries (figure 3.18)

Page 4: Materials Science and Engineering Crystalline and Non-Crystalline Systems X-Ray Diffraction: Determination of Crystal Structure.

Crystalline and Non-CrystallineAnisotropy

◦Axis/Direction determines properties (structure – properties correlation) Isotropy – Equal properties on all axis.

◦Example: Young’s Modulus, Conductivity, Index

of Refraction can vary between [100] and [111]

Page 5: Materials Science and Engineering Crystalline and Non-Crystalline Systems X-Ray Diffraction: Determination of Crystal Structure.

Crystalline and Non-CrystallineAnisotropy

◦Inversely proportional to structural symmetry Triclinic vs Simple Cubic

Highly anisotropic (directional dependant properties)

vs Highly Isotropic (uniform shape = uniform

properties)

◦Usually see isotropy on macroscopic scale in metals due to polycarystallinity

Page 6: Materials Science and Engineering Crystalline and Non-Crystalline Systems X-Ray Diffraction: Determination of Crystal Structure.

X-Ray DiffractionMost of the information in this

chapter comes from X-Ray Diffraction.

What is diffraction!?

Page 7: Materials Science and Engineering Crystalline and Non-Crystalline Systems X-Ray Diffraction: Determination of Crystal Structure.

X-Ray DiffractionDiffraction

◦Results from constructive and destructive interference

Page 8: Materials Science and Engineering Crystalline and Non-Crystalline Systems X-Ray Diffraction: Determination of Crystal Structure.

X-Ray DiffractionDiffraction

◦Consistent overlap in 3-D space creates “diffraction pattern”

◦Used heavily in research and higher education

Page 9: Materials Science and Engineering Crystalline and Non-Crystalline Systems X-Ray Diffraction: Determination of Crystal Structure.
Page 10: Materials Science and Engineering Crystalline and Non-Crystalline Systems X-Ray Diffraction: Determination of Crystal Structure.

X-Ray DiffractionDiffraction

◦Regularly spaced obstacles capable of scattering a wave

◦Are spaced comparable to wavelength

Page 11: Materials Science and Engineering Crystalline and Non-Crystalline Systems X-Ray Diffraction: Determination of Crystal Structure.

X-Ray DiffractionX-Rays

◦Form of electromagnetic radiation◦High Energy, Low Wavelength◦Portion of X-Ray beam scatters in

different directions (locations) when hitting solid object.

Page 12: Materials Science and Engineering Crystalline and Non-Crystalline Systems X-Ray Diffraction: Determination of Crystal Structure.

X-Ray DiffractionX-Rays

◦At an angle…

Bragg’s Law◦Relationship among x-ray

wavelength, interatomic spacing, and angle of diffraction for constructive interference

(further ahead)

Page 13: Materials Science and Engineering Crystalline and Non-Crystalline Systems X-Ray Diffraction: Determination of Crystal Structure.

X-Ray DiffractionLike Orchard Rows

◦Angle of view creates perspectives

Page 14: Materials Science and Engineering Crystalline and Non-Crystalline Systems X-Ray Diffraction: Determination of Crystal Structure.

X-Ray DiffractionTechnique:

◦Sample placed on a stationary rig◦Detector turns on rotating axis

Scans part along a set range of angles.

XRD Demo/Visual X-Ray Diffraction

Page 15: Materials Science and Engineering Crystalline and Non-Crystalline Systems X-Ray Diffraction: Determination of Crystal Structure.

X-Ray Diffraction◦Example:

Page 16: Materials Science and Engineering Crystalline and Non-Crystalline Systems X-Ray Diffraction: Determination of Crystal Structure.

X-Ray Diffraction◦What are we looking at?

Page 17: Materials Science and Engineering Crystalline and Non-Crystalline Systems X-Ray Diffraction: Determination of Crystal Structure.

X-Ray Diffraction◦What are we looking at?

Page 18: Materials Science and Engineering Crystalline and Non-Crystalline Systems X-Ray Diffraction: Determination of Crystal Structure.

X-Ray DiffractionWhat are we looking at?

◦What does each variable mean?