Benchmarking FeCr empirical potentials against density functional theory data

Modelling and Simulation in Materials Science and Engineering

Volumn 18, Issue 7, 2010, Pages

  Klaver, T P C ^a   Bonny, G ^b   Olsson, P ^c   Terentyev, D ^b  

^a DELFT UNIVERSITY OF TECHNOLOGY   (Netherlands)

^b BELGIAN NUCLEAR RESEARCH CENTRE   (Belgium)

^c EDF R AND D   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CONCENTRATION-DEPENDENT; CR ATOMS; DEFECT-FREE; EMPIRICAL POTENTIALS; GENERAL TRENDS; HEAT OF FORMATION; INTERSTITIAL CLUSTERS; INTERSTITIALS; MODEL POTENTIAL; NEAREST NEIGHBOUR; RICH STRUCTURE; SEMI-EMPIRICAL; SHORT DISTANCES; TWO-BAND MODEL;

BENCHMARKING; BINDING ENERGY; DAMAGE DETECTION; DENSITY FUNCTIONAL THEORY; MOLECULAR VIBRATIONS; RADIATION DAMAGE; THERMOCHEMISTRY;

CHROMIUM;

EID: 77958094816     PISSN: 09650393     EISSN: 1361651X     Source Type: Journal    
DOI: 10.1088/0965-0393/18/7/075004     Document Type: Article

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