Advancing density functional theory to finite temperatures: Methods and applications in steel design

Journal of Physics Condensed Matter

Volumn 24, Issue 5, 2012, Pages

  Hickel, T ^a   Grabowski, B ^a,b   Kormann F ^a   Neugebauer, J ^a  

^a MAX PLANCK INSTITUT FÜR EISENFORSCHUNG GMBH   (Germany)

^b LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL TREND; COMPETING MECHANISMS; COMPUTATIONAL TOOLS; DETERMINATION OF PARAMETERS; EXPERIMENTAL DATA; FINITE TEMPERATURES; FIRST PRINCIPLES METHOD; HIGH STRENGTH; INTEGRATED APPROACH; MAGNETIC EFFECTS; MATERIALS DESIGN; MECHANICAL TWINNING; PHENOMENOLOGICAL MODELS; RECENT PROGRESS; SIMULATION TOOL; SOLID SOLUTION HARDENING; STEEL DESIGNS; STEEL PROPERTIES; STRUCTURAL DEFECT; STRUCTURAL PHASE TRANSFORMATIONS;

HIGH STRENGTH STEEL; PHASE TRANSITIONS; STRENGTH OF MATERIALS; THERMODYNAMIC PROPERTIES;

DENSITY FUNCTIONAL THEORY;

ALGORITHM; COMPUTER PROGRAM; ELECTRONICS; HEAT; MAGNETISM; MATERIALS TESTING; METHODOLOGY; PHYSICAL CHEMISTRY; QUANTUM THEORY; REPRODUCIBILITY; REVIEW; STATISTICAL MODEL; TEMPERATURE; THERMODYNAMICS;

ALGORITHMS; CHEMISTRY, PHYSICAL; ELECTRONICS; HOT TEMPERATURE; MAGNETICS; MATERIALS TESTING; MODELS, STATISTICAL; QUANTUM THEORY; REPRODUCIBILITY OF RESULTS; SOFTWARE; TEMPERATURE; THERMODYNAMICS;

EID: 84855273660     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/24/5/053202     Document Type: Review

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