Atomistic simulations of surface diffusion and segregation in ceramics

Computational Materials Science

Volumn 36, Issue 1-2, 2006, Pages 54-59

  Lavrentiev, M Yu ^a,f   Allan, N L ^b   Harding, J H ^c   Harris, D J ^d   Purton, J A ^e  

^a CULHAM SCIENCE CENTRE   (United Kingdom)

^b UNIVERSITY OF BRISTOL   (United Kingdom)

^c UNIVERSITY OF SHEFFIELD   (United Kingdom)

^d UNIVERSITY COLLEGE LONDON   (United Kingdom)

^e DARESBURY LABORATORY   (United Kingdom)

^f NIKOLAEV INSTITUTE OF INORGANIC CHEMISTRY   (Russian Federation)

Author keywords

Diffusion; Exchange Monte Carlo; KMC; Oxide surfaces; Segregation; TAD

Indexed keywords

ACTIVATION ANALYSIS; DIFFUSION; MOLECULAR DYNAMICS; MONTE CARLO METHODS; SEGREGATION (METALLOGRAPHY); SURFACE STRUCTURE;

EXCHANGE MONTE CARLO; KINETIC MONTE CARLO (KMC) METHODS; OXIDE SURFACES; TEMPERATURE ACCELERATED DYNAMICS (TAD);

CERAMIC MATERIALS;

EID: 33645025693     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2004.11.010     Document Type: Conference Paper

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