材料期刊网

Periodic DFT study on the structural and thermal properties 1mm of bulk anti-fluorite magnesium silicide

Dong CHEN

金属学报(英文版)

The structural and thermoelasticity of antifluorite magnesium silicide at high temperatures were studied by using the plane-wave pseudo-potential method in the framework of density functional theory. The bulk ground-state quantities such as lattice constants, cell volumes, band structures and elasti...

关键词: Mg₂Si

Theoretical study of the elastic properties of titanium nitride

Dong CHEN , Jingdong CHEN , Yinglu ZHAO , Benhai YU , Chunlei WANG , Deheng SHI

金属学报(英文版) doi:10.1016/S1006-7191(08)60082-4

The equilibrium lattice parameter, relative volume V/V₀, elastic constants C_ij, and bulk modulus of titanium nitride are successfully obtained using the ab~initio plane-wave pseudopotential (PW-PP) method within the framework of density funct...

关键词: Elastic constants , null , null , null

First-principles calculations of LaNi_5-xSn_xH_y  intermetallics and intermediate phase

Dong CHEN , Jingdong CHEN , Yinglu ZHAO , Hailiang HUO , Benhai YU , Deheng SHI

金属学报(英文版) doi:10.1016/S1006-7191(08)60106-4

The crystal and electronic structures of LaNi_4.75Sn_0.25 intermetallics and LaNi_4.5Sn_0.5H_y (y=2.0, 2.5) intermediate phase have been investigated by the full-potential linearized augmented plane wave (FP-LAPW) method. Hydrogen o...

关键词: Rare-earth intermetallics , null , null , null

Experimental Investigation on Viscosity of CaO-MgO(-Al2 O3)-SiO2 Slags and Solid-liquid Mixtures

Ji-fang XU , Li-juan SU , Dong CHEN , Jie-yu ZHANG , Yao CHEN

钢铁研究学报(英文版)

关键词:

Phase Transition Characters and Thermodynamics Modeling of the Newly-Discovered wⅡ-and Post-Spinel Si3N4 Polymorphs:A First-Principles Investigation

Benhai YU , Dong CHEN

金属学报(英文版) doi:10.1007/s40195-012-0133-1

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