Multiscale modeling of crystalline energetic materials

Computers, Materials and Continua

Volumn 16, Issue 2, 2010, Pages 127-173

  Ojeda, O U ^a   Cagin T ^a  

^a TEXAS A AND M UNIVERSITY   (United States)

Author keywords

DFT; Energetic Materials; MD; Multi Scale

Indexed keywords

AB INITIO MOLECULAR DYNAMICS METHODS; CLASSICAL FORCE FIELDS; CLASSICAL MOLECULAR DYNAMICS; CURRENT SIMULATION; DFT; DYNAMICAL PROPERTIES; ELASTIC PROPERTIES; ELEVATED TEMPERATURE; ENERGETIC MATERIAL; EQUILIBRIUM STRUCTURES; FINITE TEMPERATURES; MD; MULTI-SCALE MODELING; MULTISCALES; STATE OF THE ART; SYSTEMATIC STUDY; TEMPERATURE-INDUCED; TIME-SCALES; VIBRATIONAL FREQUENCIES;

CRYSTALLINE MATERIALS; DENSITY (SPECIFIC GRAVITY); DENSITY FUNCTIONAL THEORY; MOLECULAR DYNAMICS; REACTION KINETICS; STIFFNESS;

MECHANICAL PROPERTIES;

EID: 77955648338     PISSN: 15462218     EISSN: 15462226     Source Type: Journal    
DOI: None     Document Type: Article

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