Metastable phases and spinodal decomposition in Ti1−xAlxN system studied by ab initio and thermodynamic modeling, a comparison with the TiN–Si3N4 system

作者: R.F. Zhang , S. Veprek

DOI: 10.1016/J.MSEA.2006.10.012

关键词: Lattice energyGibbs free energyAb initioAb initio quantum chemistry methodsSpinodal decompositionFlory–Huggins solution theoryThermodynamicsMaterials scienceLattice constantTernary operationPhysical chemistry

摘要: … A comparison with the TiN–Si 3 N 4 system shows that, due to the much higher de-mixing … the TiN–AlN one, spinodal decomposition may occur in that system also for semicoherent TiN …

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