Oxygen vacancy diffusion in alumina: New atomistic simulation methods applied to an old problem

Acta Materialia

Volumn 57, Issue 16, 2009, Pages 4765-4772

  Aschauer, U ^a   Bowen, P ^a   Parker, S C ^b  

^a EPFL   (Switzerland)

^b University of Bath   (United Kingdom)

Author keywords

Bulk diffusion; Crystalline oxides; Molecular dynamics simulations; Monte Carlo simulations

Indexed keywords

ARRHENIUS EQUATION; ATOMIC SCALE; ATOMISTIC SIMULATIONS; BULK DIFFUSION; CERAMIC SCIENCE; CRYSTALLINE OXIDES; DIFFUSION COEFFICIENTS; DIFFUSION MECHANISMS; KINETIC MONTE CARLO SIMULATION; METADYNAMICS; MOLECULAR DYNAMICS SIMULATIONS; MONTE CARLO SIMULATIONS; PREEXPONENTIAL FACTOR; VACANCY DIFFUSION;

ACTIVATED ALUMINA; ALUMINA; COMPUTER SIMULATION LANGUAGES; CRYSTALLINE MATERIALS; DIFFUSION; MOLECULAR DYNAMICS; MONTE CARLO METHODS; OPTICAL RESOLVING POWER; OXYGEN; OXYGEN VACANCIES; SYSTEMS ENGINEERING;

ACTIVATION ENERGY;

EID: 68949125287     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2009.06.061     Document Type: Article

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