Influence of vibrational entropy on structural stability of Nb-Si and Mo-Si systems at elevated temperatures

Acta Materialia

Volumn 57, Issue 9, 2009, Pages 2657-2664

  Chen, Yue ^a,b   Hammerschmidt, T ^b   Pettifor, D G ^b   Shang, Jia Xiang ^a   Zhang, Yue ^a  

^a BEIHANG UNIVERSITY   (China)

^b UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

Ab initio electron theory; Elastic behavior; Phase transformations; Transition metal silicides

Indexed keywords

AB INITIO ELECTRON THEORY; DENSITY-FUNCTIONAL THEORIES; ELASTIC BEHAVIOR; ELEVATED TEMPERATURES; HARMONIC APPROXIMATIONS; HEATS OF FORMATIONS; HIGH TEMPERATURES; MO-SI SYSTEMS; PHASE CHANGES; PHASE TRANSFORMATIONS; PHONON CALCULATIONS; SHEAR MODULUS; STABLE AND METASTABLE PHASIS; STRUCTURAL STABILITIES; THEORETICAL RESULTS; TRANSITION METAL SILICIDES; VIBRATIONAL ENTROPIES;

DENSITY FUNCTIONAL THEORY; METASTABLE PHASES; MOLYBDENUM; NIOBIUM; NIOBIUM ALLOYS; PHASE TRANSITIONS; SILICIDES; SYSTEM STABILITY; TRANSITION METAL COMPOUNDS; TRANSITION METALS;

SILICON;

EID: 64649094290     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2009.02.014     Document Type: Article

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