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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：152/0  |  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  
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：155/0  |  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  
First-principles investigation of vanadium isotope fractionation in solution and during adsorption 期刊论文
Earth and Planetary Science Letters, 2015, 卷号: 426, 页码: 216-224
作者:  Fei Wu;  Tian Qin;  Xuefang Li;  Yun Liu;  Jen-How Huang;  Zhongqing Wu;  Fang Huang
Adobe PDF(1940Kb)  |  收藏  |  浏览/下载：157/0  |  提交时间：2019/09/04
Vanadium Isotopee  quilibrium Isotope Fractionation  density Functional Theory  redox  adsorption  
Mechanical and thermodynamic properties of the monoclinic and orthorhombic phases of SiC2N4 under high pressure from first principles 期刊论文
Chinese Physics B, 2014, 卷号: 23, 期号: 12, 页码: 127101-8
作者:  Miao Nan-Xi;  Pu Chun-Ying;  He Chao-Zheng;  Zhang Fei-Wu;  Lu Cheng;  Lu Zhi-Wen;  Zhou Da-Wei
Adobe PDF(371Kb)  |  收藏  |  浏览/下载：159/0  |  提交时间：2019/07/18
Sic2n4  density Functional Theory  debye Temperature  elastic Anisotropy  
Mechanical and thermodynamic properties of the monoclinic and orthorhombic phases of SiC2N4under high pressure from first principles 期刊论文
Chinese Physics B, 2014, 卷号: 23, 期号: 12, 页码: 1-9
作者:  Miao Nan-Xi;  Pu Chun-Ying;  He Chao-Zheng;  Zhang Fei-Wu;  Lu Cheng;  Lu Zhi-Wen;  Zhou Da-Wei
Adobe PDF(371Kb)  |  收藏  |  浏览/下载：108/0  |  提交时间：2020/12/24
Sic2n4  density Functional Theory  debye Temperature  elastic Anisotropy