Publication Date:
2012-03-01
Description:
Author(s): Philippe C. Aeberhard, Stephen R. Williams, Denis J. Evans, Keith Refson, and William I. F. David The color-diffusion algorithm is applied to ab initio molecular dynamics simulation of hexagonal LiBH 4 to determine the lithium diffusion coefficient and diffusion mechanisms. Even in the best solid lithium ion conductors, the time scale of ion diffusion is too long to be readily accessible by ab in... [Phys. Rev. Lett. 108, 095901] Published Wed Feb 29, 2012
Keywords:
Condensed Matter: Structure, etc.
Print ISSN:
0031-9007
Electronic ISSN:
1079-7114
Topics:
Physics
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