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Computational Analysis Methods in Atomistic Modeling of Crystals

Stukowski, Alexander (2014):
Computational Analysis Methods in Atomistic Modeling of Crystals.
In: JOM, Springer US , pp. 399-407, 66, (3), ISSN 1047-4838,
[Online-Edition: http://dx.doi.org/10.1007/s11837-013-0827-5],
[Article]

Abstract

This article discusses computational analysis methods typically used in atomistic modeling of crystalline materials and highlights recent developments that can provide better insights into processes at the atomic scale. Topics include the classification of local atomic structures, the transition from atomistics to mesoscale and continuum-scale descriptions, and the automated identification of dislocations in atomistic simulation data.

Item Type: Article
Erschienen: 2014
Creators: Stukowski, Alexander
Title: Computational Analysis Methods in Atomistic Modeling of Crystals
Language: English
Abstract:

This article discusses computational analysis methods typically used in atomistic modeling of crystalline materials and highlights recent developments that can provide better insights into processes at the atomic scale. Topics include the classification of local atomic structures, the transition from atomistics to mesoscale and continuum-scale descriptions, and the automated identification of dislocations in atomistic simulation data.

Journal or Publication Title: JOM
Volume: 66
Number: 3
Publisher: Springer US
Divisions: 11 Department of Materials and Earth Sciences > Material Science > Materials Modelling
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences
Date Deposited: 18 Dec 2013 08:57
Official URL: http://dx.doi.org/10.1007/s11837-013-0827-5
Additional Information:

The Minerals, Metals & Materials Society

Identification Number: doi:10.1007/s11837-013-0827-5
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