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Powder Diffraction & the Debye Scattering Equation (1)

What is it about?

The physicist Peter Debye derived an equation in 1915, which is usually used to model diffraction from gases and liquids. When applied to randomly oriented crystal grains, as in Powder Diffraction, it enables explicit handling of size, shape and disorder. However this comes with a heavy computational overhead. A new approach to solving this problem is presented.

Why is it important?

The method used to achieve vast improvements in computational time goes to the heart of Crystallography, employing translational symmetry and Patterson vectors. Size and disorder effects in the clay mineral kaolinite are modelled from first principles.

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The following have contributed to this page:
Noel Thomas
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