Ab initio molecular dynamics simulation for structural transition of Zr during rapid quenching processes

Computational Materials Science

Volumn 43, Issue 4, 2008, Pages 1123-1129

  Fang, H Z ^a   Hui, X ^a   Chen, G L ^a   Ottking R ^b   Liu, Y H ^b   Schaefer, J A ^b   Liu, Z K ^c  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY BEIJING   (China)

^b ILMENAU UNIVERSITY OF TECHNOLOGY   (Germany)

^c PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

Atomic structure; Bond pair analysis; First principle; Metallic glasses; Pair correlation function; Zr

Indexed keywords

MOLECULAR DYNAMICS; MOLECULAR MECHANICS; NANOFLUIDICS; QUANTUM CHEMISTRY; QUENCHING; ZIRCONIUM;

AB INITIO MOLECULAR DYNAMICS SIMULATION; ATOMIC STRUCTURE; BOND PAIR ANALYSIS; FIRST PRINCIPLE; METALLIC GLASSES; PAIR CORRELATION FUNCTION; STRUCTURAL TRANSITIONS; ZR;

DYNAMICS;

EID: 52949150794     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2008.03.011     Document Type: Article

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