Ab-Initio Calculation of Interatomic Potentials for Mantle Silicates and Oxides

主要研究人员将研究原子间势， 应用于硅酸盐材料的计算机建模。的 开发的潜力将用分子测试 弹性力学模拟的高压 阶段。它们也将被应用于高压熔融 硅酸盐矿物，矿物和熔体的冲击波行为， 以及硅酸盐和氧化物的蒸发， 早期太阳星云的吸积

The principal investigators will study interatomic potentials as applied to the computer modelling of silicate materials. The potentials that are developed will be tested with molecular dynamics simulations of the elastic properties of high-pressure phases. They also will be applied to the high-pressure melting of silicate minerals, the shock wave behavior of minerals and melts, and the evaporation of silicates and oxides in relation to the accretion of early solar nebula.