Molecular dynamic study of the melting temperature in MgF 2 with the fluorite structure

Physica B: Condensed Matter

Volumn 407, Issue 3, 2012, Pages 551-554

  Tian, J H ^a   Song, T ^a   Sun, X W ^a   Liu, Z J ^b   Quan, W L ^a   Guo, P ^a  

^a LANZHOU JIAOTONG UNIVERSITY   (China)

^b LANZHOU CITY UNIVERSITY   (China)

Author keywords

Melting; MgF 2; Molecular dynamics simulation; Radial distribution functions

Indexed keywords

AB INITIO; CONSTANT TEMPERATURE; DFT-GGA; FLUORITE STRUCTURE; ION PAIRS; MGF 2; MOLECULAR DYNAMICS SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; PERIODIC HARTREE-FOCK; POTENTIAL PARAMETERS; QUASI-HARMONIC DEBYE MODEL; RADIAL DISTRIBUTION FUNCTIONS; REPULSION INTERACTIONS; VARYING TEMPERATURE;

CALCULATIONS; COMPUTER SIMULATION; DISTRIBUTION FUNCTIONS; DYNAMICS; FLUORSPAR; MELTING; MELTING POINT; METAL MELTING; PHASE TRANSITIONS; QUANTUM CHEMISTRY;

MOLECULAR DYNAMICS;

EID: 84655176542     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2011.11.047     Document Type: Article

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