A cluster expansion model for predicting activation barrier of atomic processes

Journal of Computational Physics

Volumn 243, Issue , 2013, Pages 244-259

  Rehman, Tafizur ^a   Jaipal, M ^a   Chatterjee, Abhijit ^a,b  

^a INDIAN INSTITUTE OF TECHNOLOGY KANPUR   (India)

^b INDIAN INSTITUTE OF TECHNOLOGY BOMBAY   (India)

Author keywords

Activation energies; Atomic processes; Cluster expansions; Diffusion; Monte Carlo

Indexed keywords

ATOMS; FORECASTING; MONTE CARLO METHODS;

ACTIVATION BARRIERS; ATOMIC PROCESS; BAND CALCULATION; CLUSTER EXPANSION; CLUSTER INTERACTIONS; INTERACTION MODELING; LOCAL ENVIRONMENTS; MATERIAL SYSTEMS; MONTE CARLO; NUDGED ELASTIC BAND;

ACTIVATION ENERGY;

EID: 84876300831     PISSN: 00219991     EISSN: 10902716     Source Type: Journal    
DOI: 10.1016/j.jcp.2013.03.005     Document Type: Article

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