The structure of molten AgCl, AgI and their eutectic mixture as studied by molecular dynamics simulations of polarizable ion model potentials

Journal of Chemical Physics

Volumn 134, Issue 1, 2011, Pages

  Alcaraz, Olga ^a   Bitrián, Vicente ^a   Trullàs, Joaquim ^a  

^a UNIVERSITAT POLITÈCNICA DE CATALUNYA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS; COHERENT STRUCTURE; EUTECTIC MIXTURE; EXPERIMENTAL DATA; MODEL POTENTIAL; MOLECULAR DYNAMICS SIMULATIONS; PARTIAL STRUCTURES; QUALITATIVE BEHAVIOR; RADIAL DISTRIBUTION FUNCTIONS; REVERSE MONTE CARLO MODELING;

COHERENT SCATTERING; COMPUTER SIMULATION; DISTRIBUTION FUNCTIONS; EUTECTICS; SILVER HALIDES;

MOLECULAR DYNAMICS;

IODIDE; ION; SILVER CHLORIDE; SILVER DERIVATIVE; SILVER IODIDE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; MOLECULAR DYNAMICS; MONTE CARLO METHOD; QUANTUM THEORY;

IODIDES; IONS; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; MONTE CARLO METHOD; QUANTUM THEORY; SILVER COMPOUNDS;

EID: 78651285393     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3506867     Document Type: Article

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