Predictions of melting, crystallization, and local atomic arrangements of aluminum clusters using a reactive force field

Journal of Chemical Physics

Volumn 129, Issue 24, 2008, Pages

  Ojwang', J G O ^a   Van Santen, Rutger ^a   Kramer, Gert Jan ^a   Van Duin, Adri C T ^b   Goddard III, William A ^c  

^a EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

^b The Center for Nanotechnology Education and Utilization   (United States)

^c CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINA; APPROXIMATION THEORY; ATOMIC PHYSICS; ATOMS; BINDING ENERGY; DENSITY FUNCTIONAL THEORY; EQUATIONS OF STATE; ISOMERS; LIGHT METALS; PROBABILITY DENSITY FUNCTION; SIMULATED ANNEALING; SURFACE CHEMISTRY; SURFACE TENSION;

ALUMINUM CLUSTERS; BULK LIKES; CLUSTER SIZES; CONDENSED PHASES; COORDINATION NUMBERS; FORCE FIELDS; LOCAL ATOMIC ARRANGEMENTS; MAGIC CLUSTERS; OPPENHEIMER; REACTIVE FORCE FIELDS; STABILITY FUNCTIONS; STABLE CLUSTERS; STABLE ISOMERS; STRUCTURAL SYMMETRIES; SURFACE ATOMS; SURFACE ENERGY CONTRIBUTIONS; UNDERLYING DYNAMICS;

ALUMINUM;

EID: 58149215846     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3050278     Document Type: Article

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