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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.
Modelling and Simulation in Materials Science and Engineering
author list (cited authors)
Kashinath, A., & Demkowicz, M. J.