Ontology highlight
ABSTRACT:
SUBMITTER: Tauber J
PROVIDER: S-EPMC5137685 | biostudies-literature | 2016 Nov
REPOSITORIES: biostudies-literature
Proceedings of the National Academy of Sciences of the United States of America 20161117 48
The dynamics of interstitial dopants govern the properties of a wide variety of doped crystalline materials. To describe the hopping dynamics of such interstitial impurities, classical approaches often assume that dopant particles do not interact and travel through a static potential energy landscape. Here we show, using computer simulations, how these assumptions and the resulting predictions from classical Eyring-type theories break down in entropically stabilized body-centered cubic (BCC) cry ...[more]