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Relaxed energy as a function of tilt angle for a symmetric tilt grain boundary within a cubic crystal v003
https://doi.org/10.25950/2c59c9d6
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Computes grain boundary energy for a range of tilt angles given a crystal structure, tilt axis, and material.
KIM ID:
TD_410381120771_003
Extended KIM ID:
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle__TD_410381120771_003
Brandon Runnels
Daniel Karls
Brendon Waters
Brandon Runnels
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OpenKIM
Registration Agency
National Science Foundation
Collaborative Research: Reliable Materials Simulation based on the Knowledgebase of Interatomic Models (KIM)
NSF DMR-1834251
DOI registered
October 18, 2022
via DataCite
Software published 2022 in
Open Knowledgebase of Interatomic Models (OpenKIM)
Software