Enhanced reactivity of nanoenergetic materials: A first-principles molecular dynamics study based on divide-and-conquer density functional theory

Applied Physics Letters

Volumn 95, Issue 4, 2009, Pages

  Shimojo, Fuyuki ^a,b   Nakano, Aiichiro ^a   Kalia, Rajiv K ^a   Vashishta, Priya ^a  

^a University of Southern California ^*  (United States)

^b KUMAMOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

DIVIDE AND CONQUER; ENERGETIC MATERIAL; ENHANCED REACTIVITY; EXPERIMENTAL OBSERVATION; FIRST-PRINCIPLES; MASS DIFFUSION; MOLECULAR DYNAMICS SIMULATIONS; NANO ENERGETICS; NANOENERGETIC MATERIALS; NANOSTRUCTURAL; NANOWIRE ARRAYS; QUANTUM MECHANICAL; SEMICONDUCTING STRUCTURES; THERMITE REACTION; THERMITES; TWO STAGE;

ELECTRIC WIRE; MECHANISMS; MOLECULAR DYNAMICS; NANOWIRES; OXYGEN; REACTION RATES; SOLID STATE PHYSICS;

DENSITY FUNCTIONAL THEORY;

EID: 68249096706     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3189143     Document Type: Article

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