Thermodynamic and mechanical properties of lanthanum-magnesium phases from density functional theory

Journal of Alloys and Compounds

Volumn 512, Issue 1, 2012, Pages 296-310

  Wrobel J ^a   Hector Jr , L G ^b   Wolf, W ^c   Shang, S L ^d   Liu, Z K ^d   Kurzydlowski K J ^a  

^a WARSAW UNIVERSITY OF TECHNOLOGY   (Poland)

^b GENERAL MOTORS CORPORATION   (United States)

^c Materials Design Sarl   (France)

^d PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

Elasticity; La Mg compounds; Phonon, First principles calculations; Thermal expansion; Thermodynamics

Indexed keywords

CONSTANT PRESSURES; CUBIC SYSTEMS; ELASTICITY TENSOR; EXCHANGE-CORRELATION FUNCTIONALS; EXPERIMENTAL DATA; FUNCTIONALS; ISENTROPIC; LA-MG COMPOUNDS; LINEAR THERMAL EXPANSIONS; LOW TEMPERATURES; PHASE STABILITY ANALYSIS; POISSON'S RATIO; SPACE-GROUP SYMMETRY; THEORETICAL RESULT; YOUNG'S MODULUS;

CALCULATIONS; DENSITY (SPECIFIC GRAVITY); ELASTIC MODULI; ELASTICITY; EXPANSION; LANTHANUM; MAGNESIUM; PHASE DIAGRAMS; PHASE STABILITY; POISSON RATIO; SINGLE CRYSTALS; THERMAL EXPANSION; THERMODYNAMICS;

DENSITY FUNCTIONAL THEORY;

EID: 80655146782     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2011.09.085     Document Type: Article

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