How a single aluminum atom makes a difference to gallium: First-principles simulations of bimetallic cluster melting

Journal of Chemical Physics

Volumn 139, Issue 9, 2013, Pages

  Ojha, Udbhav ^a   Steenbergen, Krista G ^a   Gaston, Nicola ^a  

^a VICTORIA UNIVERSITY OF WELLINGTON   (New Zealand)

Author keywords

[No Author keywords available]

Indexed keywords

BIMETALLIC CLUSTERS; EXPERIMENTAL VALUES; FIRST PRINCIPLES MOLECULAR DYNAMICS; FIRST-PRINCIPLES SIMULATIONS; MICROCANONICAL ENSEMBLES; PARALLEL TEMPERING; ROOT MEAN SQUARED; VELOCITY AUTOCORRELATIONS;

ALUMINUM; ATOMS; MOLECULAR DYNAMICS; SPECIFIC HEAT;

GALLIUM ALLOYS;

EID: 84903367042     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4819907     Document Type: Article

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