{"title":"短程秩序稳定了地球内核中的立方铁合金","authors":"Zhi Li, Sandro Scandolo","doi":"arxiv-2409.08008","DOIUrl":null,"url":null,"abstract":"The phase diagram and sound velocities of the Fe-Si binary alloy, crucial for\nunderstanding the Earth's core, are determined at inner core boundary pressure\nwith \\textit{ab-initio} accuracy through deep-learning-aided hybrid Monte Carlo\nsimulations. A complex phase diagram emerges close to the melting temperature,\nwhere a re-entrance of the body-centered cubic (bcc) phase is observed. The bcc\nstructure is stabilized by a pronounced short-range ordering of the Si atoms.\nThe miscibility gap between the short-range ordered bcc structure and the\nlong-range ordered cubic B2 structure shrinks with increasing temperature and\nthe transition becomes continuous above 6000 K. We find that a bcc Fe-Si solid\nsolution reproduces crucial geophysical data such as the low shear sound\nvelocity and the seismic anisotropy of the inner core much better than other\nstructures.","PeriodicalId":501270,"journal":{"name":"arXiv - PHYS - Geophysics","volume":"15 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Short-range order stabilizes a cubic Fe alloy in Earth's inner core\",\"authors\":\"Zhi Li, Sandro Scandolo\",\"doi\":\"arxiv-2409.08008\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The phase diagram and sound velocities of the Fe-Si binary alloy, crucial for\\nunderstanding the Earth's core, are determined at inner core boundary pressure\\nwith \\\\textit{ab-initio} accuracy through deep-learning-aided hybrid Monte Carlo\\nsimulations. A complex phase diagram emerges close to the melting temperature,\\nwhere a re-entrance of the body-centered cubic (bcc) phase is observed. The bcc\\nstructure is stabilized by a pronounced short-range ordering of the Si atoms.\\nThe miscibility gap between the short-range ordered bcc structure and the\\nlong-range ordered cubic B2 structure shrinks with increasing temperature and\\nthe transition becomes continuous above 6000 K. We find that a bcc Fe-Si solid\\nsolution reproduces crucial geophysical data such as the low shear sound\\nvelocity and the seismic anisotropy of the inner core much better than other\\nstructures.\",\"PeriodicalId\":501270,\"journal\":{\"name\":\"arXiv - PHYS - Geophysics\",\"volume\":\"15 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-09-12\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"arXiv - PHYS - Geophysics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/arxiv-2409.08008\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"arXiv - PHYS - Geophysics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/arxiv-2409.08008","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
摘要
通过深度学习辅助的混合蒙特卡洛模拟,确定了内核边界压力下Fe-Si二元合金的相图和声速,这对理解地核至关重要。在接近熔化温度时,出现了复杂的相图,并观察到体心立方(bcc)相的重新进入。短程有序的 bcc 结构与长程有序的立方 B2 结构之间的混溶隙随着温度的升高而缩小,在 6000 K 以上转变变得连续。我们发现,bcc Fe-Si 固溶体比其他结构更好地再现了关键的地球物理数据,例如内核的低剪切声速和地震各向异性。
Short-range order stabilizes a cubic Fe alloy in Earth's inner core
The phase diagram and sound velocities of the Fe-Si binary alloy, crucial for
understanding the Earth's core, are determined at inner core boundary pressure
with \textit{ab-initio} accuracy through deep-learning-aided hybrid Monte Carlo
simulations. A complex phase diagram emerges close to the melting temperature,
where a re-entrance of the body-centered cubic (bcc) phase is observed. The bcc
structure is stabilized by a pronounced short-range ordering of the Si atoms.
The miscibility gap between the short-range ordered bcc structure and the
long-range ordered cubic B2 structure shrinks with increasing temperature and
the transition becomes continuous above 6000 K. We find that a bcc Fe-Si solid
solution reproduces crucial geophysical data such as the low shear sound
velocity and the seismic anisotropy of the inner core much better than other
structures.