Ab initio and Monte Carlo modeling in Fe-Cr system: Magnetic origin of anomalous thermodynamic and kinetic properties

Computational Materials Science

Volumn 44, Issue 1, 2008, Pages 1-8

  Nguyen Manh, D ^a   Lavrentiev, M Yu ^a   Dudarev, S L ^a  

^a CULHAM SCIENCE CENTRE   (United Kingdom)

Author keywords

Ab initio; Fe Cr system; Magnetism; Monte Carlo; Stoner model

Indexed keywords

CHROMIUM; CHROMIUM ALLOYS; CONCENTRATION (PROCESS); DENSITY FUNCTIONAL THEORY; DISCRETE FOURIER TRANSFORMS; INTERMETALLICS; METALLIC COMPOUNDS; MONTE CARLO METHODS; PHASE STABILITY; PROBABILITY DENSITY FUNCTION; SYSTEM STABILITY; THERMODYNAMIC STABILITY; THERMODYNAMICS; VACANCIES;

AB INITIO; FE-CR SYSTEM; MAGNETISM; MONTE CARLO; STONER MODEL;

IRON ALLOYS;

EID: 53849088923     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2008.01.035     Document Type: Article

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