Ab initio molecular dynamics study of elasticity of akimotoite MgSiO3 at mantle conditions

Physics of the Earth and Planetary Interiors

Volumn 173, Issue 1-2, 2009, Pages 115-120

  Li, Li ^a,b   Weidner, Donald J ^a,b   Brodholt, John ^a   Alfè, Dario ^a   Price, G David ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b STONY BROOK UNIVERSITY   (United States)

Author keywords

Akimotoite; Elasticity; First principle; High pressure and high temperature; Molecular dynamics

Indexed keywords

ELASTICITY; MOLECULAR DYNAMICS; THERMAL EXPANSION;

AB INITIO MOLECULAR DYNAMICS; AKIMOTOITE; BIRCH-MURNAGHAN EQUATIONS; ELASTIC ANISOTROPIES; ELASTIC PROPERTIES; FIRST PRINCIPLE; HIGH PRESSURE AND HIGH TEMPERATURE; HIGH VELOCITIES; LOW TEMPERATURES; PRESSURE AND TEMPERATURES; PRESSURE CORRECTIONS; REFERENCE TEMPERATURES; THIRD ORDERS;

DYNAMICS;

DISCONTINUITY; ELASTICITY; HIGH PRESSURE; HIGH TEMPERATURE; MANTLE; MOLECULAR ANALYSIS; SIMULATION;

EID: 60749131297     PISSN: 00319201     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.pepi.2008.11.005     Document Type: Article

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