Molecular dynamic simulations on the structures and properties of ε-CL-20(0 0 1)/F2314 PBX

Journal of Hazardous Materials

Volumn 175, Issue 1-3, 2010, Pages 423-428

  Xu, Xiaojuan ^a   Xiao, Jijun ^b   Huang, Hui ^c   Li, Jinshan ^c   Xiao, Heming ^b  

^a YANCHENG TEACHERS UNIVERSITY   (China)

^b NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^c RESEARCH CENTER OF LASER FUSION   (China)

Author keywords

Binding energies (Ebind); Detonation properties; Mechanical properties; Molecular dynamics (MD); Pair correlation functions g(r); Polymer bonded explosives (PBX)

Indexed keywords

COMPASS FORCE FIELD; CONCENTRATION OF; DETONATION PROPERTIES; FORMULATION DESIGN; ISOTROPIC PROPERTY; MOLECULAR DYNAMIC SIMULATIONS; PAIR CORRELATION FUNCTIONS; POLYMER BONDED EXPLOSIVES; POLYMER BONDED EXPLOSIVES (PBX); RADIAL DISTRIBUTION FUNCTIONS; TEMPERATURE CHANGING;

BINDING ENERGY; BINDING SITES; COMPUTER SIMULATION; CRYSTAL DEFECTS; DETONATION; DISTRIBUTION FUNCTIONS; HYDROGEN BONDS; MOLECULAR DYNAMICS; NITRATION; NUCLEAR ENERGY; POLYMERS; POTENTIAL ENERGY; VIBRATIONS (MECHANICAL);

MECHANICAL PROPERTIES;

EXPLOSIVE; HEXANITROHEXAAZAISOURZITANE; POLYMER BONDED EXPLOSIVE; UNCLASSIFIED DRUG;

EXPLOSIVE; MECHANICAL PROPERTY; MOLECULAR ANALYSIS; POLYMER; SIMULATION; TEMPERATURE GRADIENT;

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL MODIFICATION; CHEMICAL STRUCTURE; CONCENTRATION RESPONSE; CONTROLLED STUDY; CRYSTAL STRUCTURE; ELASTICITY; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PHYSICAL CHEMISTRY; SIMULATION; TEMPERATURE;

ALGORITHMS; COMPUTER SIMULATION; CRYSTALLIZATION; ELASTICITY; EXPLOSIVE AGENTS; HAZARDOUS SUBSTANCES; HYDROGEN BONDING; POLYMERS; PROBABILITY; STRESS, MECHANICAL; TEMPERATURE;

EID: 72049094294     PISSN: 03043894     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jhazmat.2009.10.023     Document Type: Article

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