A modified W-W interatomic potential based on ab initio calculations

Modelling and Simulation in Materials Science and Engineering

Volumn 22, Issue 1, 2014, Pages

  Wang, J ^a   Zhou, Y L ^a   Li, M ^a   Hou, Q ^a  

^a SICHUAN UNIVERSITY   (China)

Author keywords

molecular dynamics simulations; self interstitial atom; tungsten potential; vacancy

Indexed keywords

AB INITIO CALCULATIONS; FINNIS-SINCLAIR-TYPE INTERATOMIC POTENTIAL; FORMATION ENERGIES; INTERATOMIC POTENTIAL; MOLECULAR DYNAMICS SIMULATIONS; NEGATIVE THERMAL EXPANSION; SELF-INTERSTITIAL ATOMS; TEMPERATURE RANGE;

CALCULATIONS; MOLECULAR DYNAMICS; THERMAL EXPANSION; VACANCIES;

TUNGSTEN;

EID: 84891400289     PISSN: 09650393     EISSN: 1361651X     Source Type: Journal    
DOI: 10.1088/0965-0393/22/1/015004     Document Type: Article

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