A computational study of magnesium point defects and diffusion in forsterite

Physics of the Earth and Planetary Interiors

Volumn 172, Issue 1-2, 2009, Pages 20-27

  Walker, Andrew M ^a   Woodley, Scott M ^b,c   Slater, Ben ^c   Wright, Kate ^d  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b DAVY FARADAY RESEARCH LABORATORY   (United Kingdom)

^c UNIVERSITY COLLEGE LONDON   (United Kingdom)

^d CURTIN UNIVERSITY   (Australia)

Author keywords

Defect; Diffusion; Forsterite; Magnesium; Olivine

Indexed keywords

ACTIVATION ENERGY; ATOMIC PHYSICS; ATOMS; DIFFUSION; GRID COMPUTING; IRON COMPOUNDS; LIGHT METALS; MAGNESIUM; MAGNESIUM PRINTING PLATES; OLIVINE; OXYGEN; POINT DEFECTS; SEMICONDUCTOR DOPING; SILICATE MINERALS; VACANCIES; WEAR RESISTANCE;

COMPUTATIONAL STUDIES; COMPUTING INFRASTRUCTURES; DEFECT CONFIGURATIONS; DEFECT ENERGETICS; EMBEDDED CLUSTERS; EMPIRICAL MODELS; EQUILIBRIUM POSITIONS; FORCE FIELDS; FORMATION ENERGIES; FORSTERITE; HEXAGONALLY CLOSE PACKED; HIGH THROUGHPUTS; INTERSTITIAL DEFECTS; INTERSTITIALS; INTRINSIC DEFECTS; MAGNESIUM ATOMS; MINIMUM ENERGIES; MODELLING METHODOLOGIES; OCTAHEDRAL SITES; OXYGEN LATTICES; QUANTUM MECHANICALS; VACANCY DIFFUSIONS;

DEFECTS;

CRYSTALLOGRAPHY; DIFFUSION; FORSTERITE; MAGNESIUM; MODELING; QUANTUM MECHANICS;

EID: 57349182198     PISSN: 00319201     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.pepi.2008.04.001     Document Type: Article

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