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First-Principles Calculations about Elastic and Li+ Transport Properties of Lithium Superoxides under High Pressure and High Temperature 期刊论文
Chinese Physics Letters, 2022, 卷号: 39, 期号: 2, 页码: 026101
Authors:  Yufeng Li;  Shichuan Sun;  Yu He;  Heping Li
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First-Principles Calculations about Elastic and Li+ Transport Properties of Lithium Superoxides under High Pressure and High Temperature 期刊论文
Chinese Physics Letters, 2022, 卷号: 39, 页码: 52-62
Authors:  Yufeng Li;  Shichuan Sun;  Yu He;  Heping Li
Favorite  |  View/Download:275/0  |  Submit date:2023/03/27
First‑principles investigations on the formation of  H2O defects in lizardite with influence on the elastic property 期刊论文
Physics and Chemistry of Minerals, 2019, 卷号: 46, 页码: 935–946
Authors:  Shichuan Sun;Yu He
Adobe PDF(5051Kb)  |  Favorite  |  View/Download:135/0  |  Submit date:2020/09/24
Lizardite  h2o Defects  elastic Property  seismic Anomalies  
First-principles investigations on the formation of H2O defects in lizardite with influence on the elastic property 期刊论文
Physics and Chemistry of Minerals, 2019, 卷号: 46, 期号: 10, 页码: 935-946
Authors:  Shichuan Sun;Yu He
Adobe PDF(5051Kb)  |  Favorite  |  View/Download:156/0  |  Submit date:2020/11/20
Lizardite  H2o Defects  Elastic Property  Seismic Anomalies  
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
Authors:  Wenzhong Wang;  Chen Zhou;  Yun Liu;  Zhongqing Wu;  Fang Huang
Adobe PDF(2233Kb)  |  Favorite  |  View/Download:163/0  |  Submit date:2020/12/04
Mg Isotopes  Equilibrium Fractionation  Density Functional Theory  First-principles Molecular Dynamics Simulations  Aqueous Mg2++  Concentration Effect  Carbonates  Brucite  
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
Authors:  Wenzhong Wang;  Chen Zhou;  Yun Liu;  Zhongqing Wu;  Fang Huang
Adobe PDF(2233Kb)  |  Favorite  |  View/Download:165/0  |  Submit date:2020/09/21
Mg Isotopes  Equilibrium Fractionation  Density Functional Theory  First-principles Molecular Dynamics Simulations  Aqueous mg2+concentration Effect  Carbonates  Brucite  
Theoretical calculation of equilibrium Mg isotope fractionations between minerals and aqueous solutions 期刊论文
Chemical Geology, 2018, 卷号: 488, 页码: 62-75
Authors:  Caihong Gao;  Xiaobin Cao;  Qi Liu;  Yuhong Yang;  Siting Zhang;  Yuyang He;  Mao Tang;  Yun Liu
Adobe PDF(2618Kb)  |  Favorite  |  View/Download:232/0  |  Submit date:2019/05/17
Mg Isotope Fractionation  solid And Solution  quantum Chemistry Method  vvcm  
Tracking Physicochemical Conditions of Evaporite Deposition by Stable Magnesium Isotopes: A Case Study of Late Permian Langbeinites 期刊论文
Geochemistry, Geophysics, Geosystems, 2018, 卷号: 19, 期号: 8, 页码: 2615-2630
Authors:  Chongqin Feng;  Caihong Gao;  Qing-Zhu Yin;  Benjamin Jacobsen;  Paul R. Renne;  Jun Wang;  Su-Chin Chang
Adobe PDF(1924Kb)  |  Favorite  |  View/Download:272/0  |  Submit date:2019/06/12
Parent Brine  Evaporite  Langbeinite  Mg Isotopes  Fractionation Factor  
Global observations and modeling of atmosphere-surface exchange of elemental mercury: a critical review 期刊论文
Atmospheric Chemistry & Physics, 2016, 卷号: 16, 期号: 7, 页码: 4451-4480
Authors:  W Zhu;  CJ Lin;  X Wang;  J Sommar;  X Fu
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First-principles prediction of fast migration channels of potassium ions in KAlSi3O8 hollandite: Implications for high conductivity anomalies in subduction zones 期刊论文
Geophysical Research Letters, 2016, 卷号: 43, 期号: 12, 页码: 6228-6233
Authors:  Yu He;  Yang Sun;  Xia Lu;  Jian GaoHong Li;  Heping Li
Adobe PDF(844Kb)  |  Favorite  |  View/Download:154/2  |  Submit date:2017/11/21