Structure and stability of Fe2C phases from density-functional theory calculations

Scripta Materialia

Volumn 63, Issue 4, 2010, Pages 418-421

  Fang, C M ^a,b   Van Huis, M A ^b,c   Zandbergen, H W ^b  

^a MATERIALS INNOVATION INSTITUTE M2I   (Netherlands)

^b DELFT UNIVERSITY OF TECHNOLOGY   (Netherlands)

^c UNIVERSITY OF ANTWERP   (Belgium)

Author keywords

Density functional theory calculations; Formation enthalpy; Iron carbides; Precipitates in steels

Indexed keywords

DENSITY-FUNCTIONAL THEORY CALCULATIONS; FIRST-PRINCIPLES CALCULATION; FORMATION ENTHALPY; IRON CARBIDES; QUENCHED STEEL; STRUCTURAL MODELS; STRUCTURAL RELATIONSHIP;

CARBIDES; ENTHALPY; IRON; MODEL STRUCTURES; TIME VARYING SYSTEMS; WAVE FUNCTIONS;

DENSITY FUNCTIONAL THEORY;

EID: 77955661787     PISSN: 13596462     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.scriptamat.2010.04.042     Document Type: Article

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