Two-phase modeling of water partitioning between liquid iron and silicate melt (NERC Grant NE/S01134X/1)

The two-phase modeling of water between liquid iron and silicate melt at 50 and 135 gigapascals (corresponding to 3500 and 4200 kelvin) was performed by using ab initio molecular dynamics...

本研究采用从头算分子动力学（ab initio molecular dynamics）方法，完成了50吉帕斯卡与135吉帕斯卡（分别对应3500开尔文与4200开尔文）条件下液态铁与硅酸盐熔体之间的水的两相建模工作。