Thermodynamic modelling of crystalline unary phases

Physica Status Solidi (B) Basic Research

Volumn 251, Issue 1, 2014, Pages 14-32

  Palumbo, M ^a   Burton, B ^b   Costa e silva, A ^c   Fultz, B ^d   Grabowski, B ^e   Grimvall, G ^f   Hallstedt, B ^g   Hellman, O ^h   Lindahl, B ⁱ   Schneider, A ^j   Turchi, P E A ^k   Xiong, W ^l  

^a RUHR UNIVERSITY BOCHUM   (Germany)

^b NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

^c FLUMINENSE FEDERAL UNIVERSITY   (Brazil)

^d California Institute of Technology   (United States)

^e MAX PLANCK INSTITUT FÜR EISENFORSCHUNG GMBH   (Germany)

^f ALBANOVA UNIVERSITY CENTER   (Sweden)

^g RWTH AACHEN UNIVERSITY   (Germany)

^h LINKÖPING UNIVERSITY   (Sweden)

ⁱ ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^j Vallourec Research Center   (Germany)

^k LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

^l University of Wisconsin Madison   (United States)

more..

Author keywords

CALPHAD; Crystalline phases; First principles; Thermodynamics

Indexed keywords

CURVE FITTING; DATABASE SYSTEMS; LATTICE VIBRATIONS; MOLECULAR DYNAMICS; NANOCRYSTALLINE MATERIALS; NEUTRON SCATTERING; THERMODYNAMICS; VIBRATION ANALYSIS;

AB INITIO MOLECULAR DYNAMICS; CALCULATION OF PHASE DIAGRAMS; CALPHAD; CRYSTALLINE PHASIS; ELECTRONIC CONTRIBUTIONS; FIRST PRINCIPLES; FIRST-PRINCIPLES CALCULATION; THERMODYNAMIC MODELLING;

CALCULATIONS;

EID: 84892447913     PISSN: 03701972     EISSN: 15213951     Source Type: Journal    
DOI: 10.1002/pssb.201350133     Document Type: Article

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