Ab initio nonequilibrium molecular dynamics in the solid superionic conductor LiBH 4

Physical Review Letters

Volumn 108, Issue 9, 2012, Pages

  Aeberhard, Philippe C ^a   Williams, Stephen R ^b   Evans, Denis J ^b   Refson, Keith ^c   David, William I F ^a,d  

^a UNIVERSITY OF OXFORD   (United Kingdom)

^b AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

^c RUTHERFORD APPLETON LABORATORY   (United Kingdom)

^d RUTHERFORD APPLETON LABORATORY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO MOLECULAR DYNAMICS; AB INITIO MOLECULAR DYNAMICS SIMULATION; COMPUTATIONAL COSTS; DIFFUSION MECHANISMS; EXTERNAL FIELDS; ION DIFFUSION; LINEAR-RESPONSE THEORY; LITHIUM DIFFUSION; LITHIUM ION CONDUCTORS; MOBILE SPECIES; NON EQUILIBRIUM; NONEQUILIBRIUM MOLECULAR DYNAMICS; RARE EVENT; SUPER IONIC CONDUCTORS; SYSTEM RESPONSE; TIME-SCALES;

COMPUTATIONAL CHEMISTRY; LITHIUM; MOLECULAR DYNAMICS;

DIFFUSION;

EID: 84863101920     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.108.095901     Document Type: Article

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