Theoretical Modeling of Silicate and Oxide Liquids and Solids at High Pressure and Temperature

PI将继续努力模拟在极端压力和温度条件下固体和液体硅酸盐和氧化物矿物的弹性和热力学性质。他正在开发一种电子气体成键理论，该理论可以产生定量准确的热力学性质，并准确预测立方矿物中的相变。他将把这个模型应用于更复杂的地幔矿物，并开发出具有重要地质意义的铁巴黎潜力的参数版本。

The PI will continue efforts to model the elastic and thermodynamic properties ofsolid and liquid silicate and oxide minerals at extreme pressure and temperature conditions. He is developing an electron gas theory of bonding that yields quantitatively accurate thermodynamic properties, and accurately predicts phase transformations in cubic minerals. He will apply this model to more complex mantyle minerals, and develop a parameterized version of potentials for geologically important iron paris.