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Energy surface of ZrO 2 as a function of c/a ratio and the degree of oxygen distortion

First-principles thermodynamics and kinetics of multi-component solids Anton Van der Ven, University of Michigan Ann Arbor, DMR 0748516.

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First-Principles Study of Lattice Thermal Conductivity of MgO

First-Principles Study of Lattice Thermal Conductivity of MgO. Xiaoli Tang and Jianjun Dong, Physics Department, Auburn University. Goal: Develop a First-Principles computational algorithm to predict thermal conductivity of MgO at HP-HT. Preliminary Results:.

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314 views • 1 slides

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Principles study - PowerPoint PPT Presentation

Energy surface of ZrO 2 as a function of c/a ratio and the degree of oxygen distortion

First-Principles Study of Lattice Thermal Conductivity of MgO