地球下层地幔中的MgSiO3液体的结构和结
1Department of Earth and Planetary Science, University of California, Berkeley, CA 94720, USA. stixrude@umich.edu
概括
甲酸盐液体是甲酸盐的液体.
科学领域:
- 地质物理学和行星科学
- 在极端条件下的材料科学.
背景情况:
- 了解在高压下酸盐液体的行为对于建模地球地幔和核心至关重要.
- 甲酸盐 (MgSiO3) 是地球地幔的关键组成部分,使其液相特性对地球物理模型至关重要.
研究的目的:
- 为了研究金属酸盐液体在地球地幔压力下的结构和体积特性.
- 为了确定甲酸的化曲线到核心-地幔边界.
主要方法:
- 第一个原理分子动力学模拟被用来建模甲酸盐液体.
- 克劳西乌斯-克莱佩隆方程被整合起来,以导出融曲线.
主要成果:
- 液体MgSiO3中的-氧协调数几乎线性地从4增加到6在整个地幔压力范围内.
- 液体和晶体MgSiO3之间的密度对比度随着压力显著下降,在核心-地幔边界变为4%.
- 在核心-地幔边界的MgSiO3的计算化温度为5400±600凯尔文.
结论:
- 液体MgSiO3在地球地幔压力体制中经历了显著的结构和体积变化.
- 这些发现为完善地球内部和行星形成的地球物理模型提供了关键数据.
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