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Relaxed energy as a function of tilt angle for a symmetric tilt grain boundary within a cubic crystal v002
https://doi.org/10.25950/4723cee7
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Computes grain boundary energy for a range of tilt angles given a crystal structure, tilt axis, and material.
Brandon Runnels
Brandon Runnels
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OpenKIM
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DOI registered
October 25, 2019
via DataCite
Software published 2019 in
Open Knowledgebase of Interatomic Models (OpenKIM)
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