Vacancy Formation Energy with MD

By Sam Reeve1, Alejandro Strachan1

1. Purdue University

Calculate vacancy formation energy with molecular dynamics and various atomic interaction models

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Version 1.1.1 - published on 03 Aug 2017

doi:10.4231/D34746T4G cite this

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Versions

Version Released DOI Handle Published
1.1.1 03 Aug 2017 doi:10.4231/D34746T4G yes
1.1 05 Jun 2017 doi:10.4231/D39S1KM5R no
1.0 08 May 2017 doi:10.4231/D3BZ6192K no