期刊
SCRIPTA MATERIALIA
卷 59, 期 1, 页码 15-18出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.scriptamat.2008.02.056
关键词
X-ray diffraction; molecular dynamics; nanocrystalline materials
We inspect the accuracy of a standard analysis, here a Williamson-Hall variant, for determining the grain size and microstrain of nanocrystalline samples by analysis of X-ray diffraction data. The diffractograms were computer-generated, based on large samples of nanocrystalline Pd obtained by molecular dynamics simulation. The algorithm supplies accurate grain size values. Remarkably, although the grain interiors are free of lattice defects, the microstrain is significant and matches closely that of experiments on samples of similar grain size. (C) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
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