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Visualization of deformation in atomistic simulation

Computational Materials Science, 30(3-4): 217--222, 2004.
Authors: Mao Wen and Seiji Fukuyama and Kiyoshi Yokogawa
URL: http://dx.doi.org/10.1016/j.commatsci.2004.02.048
Tags: molecular\_dynamics, visualization
Abstract: A general and simple method is developed of characterizing deformation in an atomistic model by simulations. In the method, the deformation index is defined as the maximum relative displacement of an atom to its nearest neighbors during deformation. The deformation index can be applied to quantitatively visualize lattice defects such as dislocations and stacking faults during twin or slip deformation in a single image. As an example, the cracking processes of nickel and iron are presented and analyzed by the method.
| URL | BibTeX  
@article{Wen04,
title = {Visualization of deformation in atomistic simulation},
author = {Mao Wen and Seiji Fukuyama and Kiyoshi Yokogawa},
booktitle = {Theory, modeling and simulation of materials for advanced technologies: Proceedings of the International Conference on Materials for Advanced Technologies (ICMAT 2003) and IUMRS International Conference in Asia (IUMRS-ICA 2003)},
journal = {Computational Materials Science},
month = {August},
number = {3-4},
pages = {217--222},
url = {http://dx.doi.org/10.1016/j.commatsci.2004.02.048},
volume = {30},
year = {2004},
abstract = {A general and simple method is developed of characterizing deformation in an atomistic model by simulations. In the method, the deformation index is defined as the maximum relative displacement of an atom to its nearest neighbors during deformation. The deformation index can be applied to quantitatively visualize lattice defects such as dislocations and stacking faults during twin or slip deformation in a single image. As an example, the cracking processes of nickel and iron are presented and analyzed by the method.},
doi = {10.1016/j.commatsci.2004.02.048}, citeulike-article-id = {2140163}, priority = {2},
keywords = {molecular\_dynamics, visualization }
}