An observable for vacancy characterization and diffusion in crystals

Journal of Chemical Physics

Volumn 138, Issue 14, 2013, Pages

  Geslin, Pierre Antoine ^a,c   Ciccotti, Giovanni ^b,d   Meloni, Simone ^b,e  

^a ECOLE DES MINES DE SAINT ETIENNE   (France)

^b UNIVERSITY COLLEGE DUBLIN   (Ireland)

^c Centre National de la Recherche Scientifique   (France)

^d SAPIENZA UNIVERSITY OF ROME   (Italy)

^e CASPUR   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

COLLECTIVE VARIABLES; CRYSTAL REORIENTATION; GROUND-STATE DENSITY; LATTICE SITES; RANGE MIGRATION; RARE EVENT SIMULATION; TUNABLE PARAMETER; VACANCY DIFFUSION;

KINETICS; POTENTIAL ENERGY;

HAMILTONIANS;

EID: 84876367822     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4796322     Document Type: Article

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