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Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoOxS4-x2- Species in the Aqueous Phase by the ONIOM Method 期刊论文
ACS Earth And Space Chemistry, 2023, 页码: 142–155
作者:  Yuyang He;  Caihong Gao;  Wei Wei;  Yun Liu
Adobe PDF(3228Kb)  |  收藏  |  浏览/下载:142/0  |  提交时间:2023/05/17
A New Density Model of Quartz Solubility in H2O-CO2-NaCl Ternary Systems up to High Temperatures and High Pressures 期刊论文
Geofluids, 2021, 页码: 6631152
作者:  Weiping Deng;  Qing Wei;  Xuan Liu
Adobe PDF(2932Kb)  |  收藏  |  浏览/下载:97/0  |  提交时间:2022/03/17
Explaining the dependence of M‑site difusion in forsterite on silica activity: a density functional theory approach 期刊论文
Physics and Chemistry of Minerals, 2020, 页码: 1-16
作者:  Joshua M. R. Muir;  Michael Jollands;  Feiwu Zhang;  Andrew M. Walker
Adobe PDF(1721Kb)  |  收藏  |  浏览/下载:109/0  |  提交时间:2021/05/06
Theoretical studies on the hydrous lower mantle and D″ layer minerals 期刊论文
Earth and Planetary Science Letters, 2019, 卷号: 525, 页码: 1-12
作者:  Jiajun Jiang;Feiwu Zhang
Adobe PDF(3182Kb)  |  收藏  |  浏览/下载:150/0  |  提交时间:2020/10/27
Hydrogen  bridgmanite  post-perovskite  phase Transition  elasticity Property  first-principal  
The genesis of the newly discovered giant Wuben magmatic Fe–Ti oxide deposit in the Emeishan Large Igneous Province: a product of the late-stage redistribution and sorting of crystal slurries 期刊论文
Mineralium Deposita, 2019, 页码: 1-16
作者:  Zhong-Jie Bai;  Hong Zhong;  Wei-Guang Zhu;  Wen-Jun Hu;  Cai-Jie Chen
Adobe PDF(4Kb)  |  收藏  |  浏览/下载:149/0  |  提交时间:2020/10/26
Wuben Fe–ti Oxide Deposit  secondary Enrichment  crystal Redistribution  crystal Slurry  emeishan Large Igneous Province  
DC modelling in 2.5-D anisotropic media with singularity removal 期刊论文
Exploration Geophysics, 2019, 卷号: 50, 期号: 3, 页码: 221-232
作者:  Tao Song;  Yun Liu;  Yun Wang
Adobe PDF(4844Kb)  |  收藏  |  浏览/下载:122/0  |  提交时间:2020/12/04
Singularity Removal  anisotropic Media  current Density  longitudinal Resistivity  transverse Resistivity  
Equilibrium Mg isotope fractionation among aqueous Mg2+, carbonates, brucite and lizardite: Insights from first-principles molecular dynamics simulations 期刊论文
Geochimica et Cosmochimica Acta, 2019, 卷号: 250, 页码: 117-129
作者:  Wenzhong Wang;  Chen Zhou;  Yun Liu;  Zhongqing Wu;  Fang Huang
Adobe PDF(2233Kb)  |  收藏  |  浏览/下载:153/0  |  提交时间:2020/12/04
Mg Isotopes  Equilibrium Fractionation  Density Functional Theory  First-principles Molecular Dynamics Simulations  Aqueous Mg2++  Concentration Effect  Carbonates  Brucite  
DC modelling in 2,5-D anisotropic media with singularity removal 期刊论文
Exploration Geophysics, 2019, 页码: 1-9
作者:  Tao Song;  Yun Liu;  Yun Wang
Adobe PDF(4982Kb)  |  收藏  |  浏览/下载:129/0  |  提交时间:2020/09/07
Singularity Removal  Anisotropic Media  Current Density  Longitudinal Resistivity  Transverse Resistivity  
Equilibrium Mg isotope fractionation among aqueous Mg2+, carbonates, brucite and lizardite: Insights from first-principles molecular dynamics simulations 期刊论文
Geochimica et Cosmochimica Acta, 2019, 卷号: 250, 页码: 117-129
作者:  Wenzhong Wang;  Chen Zhou;  Yun Liu;  Zhongqing Wu;  Fang Huang
Adobe PDF(2233Kb)  |  收藏  |  浏览/下载:156/0  |  提交时间:2020/09/21
Mg Isotopes  Equilibrium Fractionation  Density Functional Theory  First-principles Molecular Dynamics Simulations  Aqueous mg2+concentration Effect  Carbonates  Brucite  
Theoretical calibration of the triple oxygen isotope thermometer 期刊论文
Geochimica et Cosmochimica Acta, 2019, 卷号: 235, 页码: 237-245
作者:  Justin Hayles;  Caihong Gao;  Xiaobin Cao;  Yun Liu;  Huiming Bao
Adobe PDF(795Kb)  |  收藏  |  浏览/下载:208/0  |  提交时间:2020/10/27
Mineral-water Equilibrium  Oxygen Isotope Equilibrium  Geothermometer  Triple-oxygen  D17o