从大量地球融化模拟中了解核心-地幔差异化
Abin Shakya1, Dipta B Ghosh1, Colin Jackson2
1School of Electrical Engineering and Computer Science, Department of Geology and Geophysics, Center for Computation and Technology, Louisiana State University, Baton Rouge, LA, 70803, USA.
Scientific reports
|August 13, 2024
概括
早期的地球地球.
科学领域:
- 行星科学 行星科学
- 地质化学 地质化学
- 计算材料科学科学 计算材料科学
背景情况:
- 地球的早期历史涉及积累和岩海洋阶段的复杂物理化学变化.
- 了解这些基本的进化过程对于行星形成模型至关重要.
研究的目的:
- 为了研究在高压下大规模的地球融化系统的行为.
- 在早期地球条件下模拟元素分区和相位分离.
主要方法:
- 利用了基于第一原则数据训练的具有深度神经网络潜力的分子动力学模拟.
- 在3000K和29.1GPa时模拟了土融的散装成分 (Fe35.7Mg19.0Si15.2O30.2重量%).
- 使用协调和空间分解分析来识别相位.
主要成果:
- 观察到相位分离成两个不同的领域:一个富含铁的金属相和一个酸盐岩海洋相.
- 金属领域包括96.2%的Fe,1.9%的Si和1.7%的O,而岩海洋领域包含29.7%的Mg,22.0%的Si和45.3%的O.
- 较高的温度导致金属领域的和氧气增加,而在岩海洋中增加了更多的氧化铁.
结论:
- 模拟的分离准确地预测了地球金属核心和酸盐地幔的形成.
- 结果与高压金属酸盐平衡的实验数据保持一致.
- 这项研究为早期地球的物理化学进化提供了基本的见解.
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