Constrained nudged elastic band calculation of the Peierls barrier with atomic relaxations

Modelling and Simulation in Materials Science and Engineering

Volumn 20, Issue 3, 2012, Pages

  Groger R ^a   Vitek, V ^b  

^a INSTITUTE OF PHYSICS OF MATERIALS   (Czech Republic)

^b UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC RELAXATION; ATOMISTIC MODELING; ATOMISTIC STUDIES; BCC METALS; DISLOCATION GLIDE; MINIMUM ENERGY PATHS; MOLECULAR STATICS; NUDGED ELASTIC BAND; NUMBER OF DEGREES OF FREEDOM; PEIERLS BARRIERS; PEIERLS STRESS; POTENTIAL MINIMA;

CONDENSED MATTER PHYSICS;

COMPUTER SIMULATION;

EID: 84858788673     PISSN: 09650393     EISSN: 1361651X     Source Type: Journal    
DOI: 10.1088/0965-0393/20/3/035019     Document Type: Article

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