First-principles molecular dynamics simulation on interatomic interaction of Fe crystal with Pb and Bi atoms

Science and Technology of Advanced Materials

Volumn 5, Issue 5-6, 2004, Pages 673-676

  Takahashi, Minoru ^a   Qi, Yingxia ^a   Nitta, Hitoshi ^b   Nishikawa, Nobutaka ^b   Ohno, Takahisa ^c  

^a TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

^b Fuji Research Institute Corporation   (Japan)

^c NATIONAL INSTITUTE FOR MATERIALS SCIENCE   (Japan)

Author keywords

Density functional theory; Fe crystals; First principles molecular dynamics simulation; Pb Bi eutectic

Indexed keywords

BISMUTH; COMPUTER SIMULATION; CORRELATION METHODS; CURRENT LIMITING REACTORS; EUTECTICS; IRON; LEAD; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION;

FE CRYSTALS; FIRST-PRINCIPLES MOLECULAR DYNAMICS SIMULATION; PB-BI EUTECTIC;

CRYSTALS;

EID: 9444225036     PISSN: 14686996     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.stam.2004.03.014     Document Type: Conference Paper

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