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| Deep fractionation of Hf in a solidifying magma ocean and its implications for tungsten isotopic heterogeneities in the mantle 期刊论文
Earth and Planetary Science Letters, 2021, 卷号: 562
作者: Deng J.; Stixrude L.
  收藏 | 浏览/下载：27/0 | 提交时间：2021/09/01
ab initio calculation silicate melt partitioning tungsten anomaly |
| Constraints on the thermal evolution of Earth's core from ab initio calculated transport properties of FeNi liquids 期刊论文
Earth and Planetary Science Letters, 2021, 卷号: 562
作者: Li W.-J.; Li Z.; He X.-T.; Wang C.; Zhang P.
收藏 | 浏览/下载：29/0 | 提交时间：2021/09/01
ab initio molecular dynamics inner core age thermal conductivity thermal stratification |
| Strong shear softening induced by superionic hydrogen in Earth's inner core 期刊论文
Earth and Planetary Science Letters, 2021, 卷号: 568
作者: Wang W.; Li Y.; Brodholt J.P.; Vočadlo L.; Walter M.J.; Wu Z.
收藏 | 浏览/下载：190/0 | 提交时间：2021/09/01
ab initio molecular simulations Earth's core high Poisson's ratio low shear velocity shear softening superionic Fe alloy |
| Large family of two-dimensional ferroelectric metals discovered via machine learning 期刊论文
Science Bulletin, 2021, 卷号: 66, 期号: 3
作者: Ma X.-Y.; Lyu H.-Y.; Hao K.-R.; Zhao Y.-M.; Qian X.; Yan Q.-B.; Su G.
收藏 | 浏览/下载：35/0 | 提交时间：2021/09/01
2D ferroelectricity Ab initio calculations Ferroelectric metal Machine learning Multiferroics |
| Barrierless HNO3 formation from the hydrolysis reaction of NO2 with Cl atom in the atmosphere 期刊论文
ATMOSPHERIC ENVIRONMENT, 2021
作者: Zhao X.; Teng Z.; Wang J.; Ma X.; Sun Y.; Gao R.; Xu F.; Zhang Q.; Wang W.
收藏 | 浏览/下载：41/0 | 提交时间：2022/01/18
Ab initio molecular dynamics Chlorine radical Nitric acid Nitrogen dioxide Thermodynamic integration |
| Magnesium partitioning between silicate melt and liquid iron using first-principles molecular dynamics: Implications for the early thermal history of the Earth's core 期刊论文
Earth and Planetary Science Letters, 2020, 卷号: 531
作者: Liu W.; Zhang Y.; Yin Q.-Z.; Zhao Y.; Zhang Z.
收藏 | 浏览/下载：37/0 | 提交时间：2021/09/01
ab initio core geodynamo giant impact Mg paleomagnetism |
| Isotopic disequilibrium of Cu in marine ferromanganese crusts: Evidence from ab initio predictions of Cu isotope fractionation on sorption to birnessite 期刊论文
Earth and Planetary Science Letters, 2020, 卷号: 549
作者: Sherman D.M.; Little S.H.
收藏 | 浏览/下载：20/0 | 提交时间：2021/09/01
ab initio birnessite copper isotope ferromanganese crust marine |
| Ultrahigh-strain ferroelasticity in two-dimensional honeycomb monolayers: from covalent to metallic bonding 期刊论文
Science Bulletin, 2020, 卷号: 65, 期号: 2
作者: Tu Z.; Wu M.
收藏 | 浏览/下载：23/0 | 提交时间：2021/09/01
Ab initio calculations Ferroelasticity Malleable metallic bonding Multiferroics Ultra-high reversible strain |
