Chinese | English

Search in the results

GYIG OpenIR

Browse/Search Results:  1-8 of 8 Help

Filters                
Selected(0)Clear Items/Page:    Sort:
Prediction of stable Cu-Li binary intermetallics from first-principles calculations: Stoichiometries, crystal structures, and physical properties 期刊论文
Journal of Alloys & Compounds, 2018, 卷号: 766, 页码: 640-648
Authors:  Jiahui Yu;   Dawei Zhou;   Chunying Pu;   Xin Tang;   Feiwu Zhang
Adobe PDF(2247Kb)  |  Favorite  |  View/Download：186/0  |  Submit date：2019/06/03
Phase Diagram  Intermetallics  First Principle  Thermodynamic Properties  
Adsorption isotherm, mechanism, and geometry of Pb(II) on magnetites substituted with transition metals 期刊论文
Chemical Geology, 2017, 卷号: 470, 页码: 132-140
Authors:  Xiaoliang Liang;  Gaoling Wei;  Juan Xiong;  Fuding Tan;  Hongping He;  Chenchen Qu;  Hui Yin;  Jianxi Zhu;  Runliang Zhu;  Zonghua Qin;  Jing Zhang
Adobe PDF(917Kb)  |  Favorite  |  View/Download：189/0  |  Submit date：2018/07/05
Magnetite Pb(Ii) Adsorption  Acid-base Titration  Adsorption Geometry  Xafs  
四方Mo2B基本物性的第一性原理研究 期刊论文
人工晶体学报, 2015, 期号: 7, 页码: 1983-1989+1996
Authors:  蒋华龙;  濮春英;  杨兴强;  宋海珍;  张飞武;  周大伟
Adobe PDF(452Kb)  |  Favorite  |  View/Download：224/1  |  Submit date：2019/10/10
第一性原理  弹性性质  热力学性质  Mo2b  
Phase transition and thermodynamic properties of YAg alloy from first-principles calculations 期刊论文
Computational Materials Science, 2015, 卷号: 102, 页码: 21-26
Authors:  Chunying Pu;  Dawei Zhou;  Yuling Song;  Zhuo Wang;  Feiwu Zhang;  Zhiwen Lu
Adobe PDF(1840Kb)  |  Favorite  |  View/Download：158/0  |  Submit date：2019/09/04
Phase Transition  first-principles Calculations  thermodynamic Properties  
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
Authors:  Miao Nan-Xi;  Pu Chun-Ying;  He Chao-Zheng;  Zhang Fei-Wu;  Lu Cheng;  Lu Zhi-Wen;  Zhou Da-Wei
Adobe PDF(371Kb)  |  Favorite  |  View/Download：117/0  |  Submit date：2020/12/24
Sic2n4  density Functional Theory  debye Temperature  elastic Anisotropy  
First-principles investigation of elastic and thermodynamic properties of SiCN under pressure 期刊论文
Computational Materials Science, 2014, 卷号: 95, 页码: 228-234
Authors:  Jinhuan Jia;  Dawei Zhou;  Jie Zhang;  Feiwu Zhang;  Zhiwen Lu;  Chunying Pu
Adobe PDF(2064Kb)  |  Favorite  |  View/Download：114/0  |  Submit date：2019/08/15
Sicn  first-principles  elastic Constants  elastic Anisotropy  
No oxygen isotope exchange between water and APS–sulfate at surface temperature: Evidence from quantum chemical modeling and triple-oxygen isotope experiments 期刊论文
Geochimica Et Cosmochimica Acta, 2012, 卷号: 95, 页码: 106-118
Authors:  Issaku E.Kohl;  Rubik Asatryan;  Huiming Bao
Adobe PDF(1369Kb)  |  Favorite  |  View/Download：159/0  |  Submit date：2018/08/09
Equilibrium mass-dependent fractionation relationships for triple oxygen isotopes 期刊论文
Geochimica et Cosmochimica Acta, 2011, 卷号: 75, 期号: 23, 页码: 7435-7445
Authors:  Xiaobin Cao;  Yun Liu
Adobe PDF(626Kb)  |  Favorite  |  View/Download：211/17  |  Submit date：2012/03/07