A predictive interatomic potential for He in Cu and Nb
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First principles calculations show that two-body forces are sufficient to describe interactions of He with fcc Cu and bcc Nb. This property is explained directly from calculated charge density distributions and used to construct a Cu-Nb-He interatomic potential that predicts accurate He impurity energies despite not being fitted to them. © 2011 IOP Publishing Ltd.
author list (cited authors)
Kashinath, A., & Demkowicz, M. J.