Phase stabilities and decomposition mechanism in the Zr-Si-N system studied by combined ab initio DFT and thermodynamic calculation

Acta Materialia

Volumn 59, Issue 1, 2011, Pages 297-307

  Sheng, S H ^a   Zhang, R F ^a   Veprek, S ^a  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

Nanocomposites; Phase segregation; Spinodal; Zr Si N; ZrN

Indexed keywords

AB INITIO; BULK MODULUS; DECOMPOSITION MECHANISM; ELEVATED TEMPERATURE; EXPONENTIAL DEPENDENCE; FACE-CENTERED CUBIC; FIRST DERIVATIVE; HARDNESS ENHANCEMENT; HEXAGONAL CLOSE-PACKED; HIGH SI CONTENT; INTERACTION PARAMETERS; LINEAR DEPENDENCE; MIXING ENTHALPY; MIXING ENTROPY; NUCLEATION AND GROWTH; PHASE SEGREGATIONS; PHASE TRANSITION POINT; SI CONTENT; SOLID SOLUTION PHASIS; SPINODALS; TEMPERATURE DEPENDENCE; TEMPERATURE-COMPOSITION; THERMODYNAMIC CALCULATIONS; TOTAL ENERGY; ZR-SI-N; ZRN;

DECOMPOSITION; DENSITY FUNCTIONAL THEORY; LATTICE CONSTANTS; NANOCOMPOSITES; PHASE DIAGRAMS; PHASE SEPARATION; PHASE STABILITY; SEGREGATION (METALLOGRAPHY); SILICON NITRIDE; SODIUM CHLORIDE; SOLID SOLUTIONS; SOLIDIFICATION; TEMPERATURE; ZIRCONIUM;

SILICON;

EID: 78049530218     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2010.09.033     Document Type: Article

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