Development of the ReaxFF reactive force field for aluminum-molybdenum alloy

Journal of Materials Research

Volumn 28, Issue 9, 2013, Pages 1155-1164

  Song, Wen Xiong ^a   Zhao, Shi Jin ^a  

^a SHANGHAI UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BODY-CENTERED CUBIC; DENSITY FUNCTIONAL THEORY CALCULATIONS; DIFFUSION PROPERTIES; ENERGY DIFFERENCES; EXPERIMENTAL VALUES; HEAT OF FORMATION; METASTABLE INTERMOLECULAR COMPOSITES; REACTIVE FORCE FIELD;

DENSITY FUNCTIONAL THEORY; ELASTICITY; EQUATIONS OF STATE; MOLYBDENUM ALLOYS; PHONONS; THERMOCHEMISTRY;

ALUMINUM;

EID: 84877699861     PISSN: 08842914     EISSN: 20445326     Source Type: Journal    
DOI: 10.1557/jmr.2013.66     Document Type: Article

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