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First principles phase diagram calculations in group IV carbides and Mg2SiO4 liquid from Molecular Dynamics

机译：通过分子动力学计算IV组碳化物和Mg2SiO4液体的第一原理相图

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Adjaoud Omar;
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年度 2009
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正文语种 eng
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2. Phase diagram of water-methane by first-principles thermodynamics: discovery of MH-IV and MH-V hydrates [J] . Cao Xiaoxiao, Huang Yingying, Jiang Xue, Physical chemistry chemical physics: PCCP . 2017,第24期

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3. Structure of liquid phosphorus: A liquid-liquid phase transition via constant-pressure first-principles molecular dynamics [J] . Tetsuya Morishita Computer physics communications . 2001,第1a3期

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4. First Principles Calculations of Thermodynamic Quantities and Phase Diagrams of High Temperature BCC Ta-W and Mo-Ta Alloys [C] . K. Masuda-Jindo, Vu Van Hung, P.E.A Turchi Pacific Rim International Conference on Advanced Materials and Processing . 2007

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5. First-principles calculations of thermodynamic properties and phase diagrams of binary substitutional alloys. [D] . Asta, Mark David. 1993

机译：二元替代合金热力学性质和相图的第一性原理计算。
6. Calculation of Five Thermodynamic Molecular Descriptors by Means of a General Computer Algorithm Based on the Group-Additivity Method: Standard Enthalpies of Vaporization Sublimation and Solvation and Entropy of Fusion of Ordinary Organic Molecules and Total Phase-Change Entropy of Liquid Crystals [O] . Rudolf Naef, William E. Acree Jr. 2017

机译：利用基于群可加法的通用计算机算法计算五个热力学分子描述词：汽化升华和溶剂化的标准焓普通有机分子的融合熵和液晶的总相变熵
7. First principles phase diagram calculations in group IV carbides and Mg2SiO4 liquid from Molecular Dynamics [O] . Adjaoud Omar 2009

机译：第一原理相图计算来自分子动力学的IV族碳化物和mg2siO4液体
8. Ternary Phase Equilibria in Transition Metal-Boron-Carbon-Silicon Systems. Part IV. Thermochemical Calculations Vol. I. Thermodynamic Properties of Group IV, V, and Vi Binary Transition Metal Carbides [R] . Chang, Y. A. 1965

机译：过渡金属 - 硼 - 碳 - 硅系统中的三元相平衡。第四部分。热化学计算卷I.第IV，V和Vi族二元过渡金属碳化物的热力学性质

First principles phase diagram calculations in group IV carbides and Mg2SiO4 liquid from Molecular Dynamics

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