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Diffraction line broadening from nanocrystals under large hydrostatic pressures

Published online by Cambridge University Press:  14 November 2013

Michael Burgess ,
Alberto Leonardi ,
Matteo Leoni  and
Paolo Scardi
Michael Burgess
Affiliation:
Department of Civil, Environmental and Mechanical Engineering, University of Trento, Trento, Italy Materials Science and Engineering, Georgia Institute of Technology, Atlanta, USA
Alberto Leonardi
Affiliation:
Department of Civil, Environmental and Mechanical Engineering, University of Trento, Trento, Italy
Matteo Leoni
Affiliation:
Department of Civil, Environmental and Mechanical Engineering, University of Trento, Trento, Italy
Paolo Scardi
Affiliation:
Department of Civil, Environmental and Mechanical Engineering, University of Trento, Trento, Italy
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Abstract

Atomistic copper nanocrystals were investigated via Molecular Dynamics (MD) under hydrostatic pressure to probe the relationship between applied load and structure deformation. The corresponding X-ray powder diffraction patterns were generated from the atomic coordinates. The analysis followed both the traditional Williamson-Hall approach based on pseudo-Voigt fitting and an alternative, more accurate method able to derive the integral breadths without applying a fitting. The Williamson-Hall results show discrepancies not fully associated with an issue of fitting.

Keywords

NanomaterialsHigh PressureLine Profile Analysis
Type
Technical Articles
Information
Powder Diffraction , Volume 28 , Supplement S2 , September 2013 , pp. S184 - S196
Copyright
Copyright © International Centre for Diffraction Data 2013 

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