Fluctuations in molecular dynamics simulations

Mathematics and Computers in Simulation

Volumn 80, Issue 7, 2010, Pages 1382-1392

  Hoyt, J J ^a   Trautt, Z T ^b   Upmanyu, M ^b  

^a MCMASTER UNIVERSITY   (Canada)

^b Department of Metallurgical and Materials Engineering   (United States)

Author keywords

Fluctuations; Grain boundaries; Interfaces; Interfacial free energy; Mobility; Molecular dynamics

Indexed keywords

CARRIER MOBILITY; FREE ENERGY; GRAIN BOUNDARIES; INTERFACE STATES; INTERFACES (MATERIALS); METALLURGY; PROBABILITY DISTRIBUTIONS; STATISTICAL MECHANICS;

CAPILLARY FLUCTUATION METHODS; CRYSTAL-MELT INTERFACE; FLUCTUATIONS; INTERFACIAL FREE ENERGY; MOLECULAR DYNAMICS SIMULATIONS; STATISTICAL FLUCTUATIONS; THERMODYNAMIC DRIVING FORCES; TIME CORRELATION FUNCTIONS;

MOLECULAR DYNAMICS;

EID: 77950859857     PISSN: 03784754     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.matcom.2009.03.012     Document Type: Article

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