Atomistic modelling was employed to investigate the effect of microstrain on X-ray diffraction patterns in nanocrystal microstructures. A strain defined on atomic scale from atom positions is computed to represent the local deformation associated with microstructures such as grain boundaries. Our emphasis is put on the separate contributions from dynamic and static atomic displacements to the corresponding powder diffraction patterns.
Microstrain in nanocrystalline samples from atomistic simulation
Leonardi, Alberto;Beyerlein, Kenneth Roy;Leoni, Matteo;Scardi, Paolo
2011-01-01
Abstract
Atomistic modelling was employed to investigate the effect of microstrain on X-ray diffraction patterns in nanocrystal microstructures. A strain defined on atomic scale from atom positions is computed to represent the local deformation associated with microstructures such as grain boundaries. Our emphasis is put on the separate contributions from dynamic and static atomic displacements to the corresponding powder diffraction patterns.File in questo prodotto:
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