Molecular dynamics simulation of the structural, elastic, and thermal properties of pyrochlores

Journal Article
RSC Advances, vol. 6, iss. 47, pp. 41410-41419, 2016
Authors
Liyuan Dong, Yuhong Li, Ram Devanathan, Fei Gao
Abstract

We present a comprehensive simulation study of the effect of composition on the structural, elastic and thermal properties of 25 different compounds from the pyrochlore family.

English