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The medium-range orders transition in liquid Fe-Al alloys 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 161, 页码: 199-208
作者:  Li, Xinxin;  Wang, Jin;  Qin, Jingyu;  Pan, Shaopeng;  Dong, Bangshao
收藏  |  浏览/下载：8/0  |  提交时间：2019/12/11
The prediction of upper limit of copper content in CoBCu glass-forming alloys 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 152, 页码: 351-354
作者:  Dong, B. S.;  Zhou, S. X.;  Qin, J. Y.;  Chen, H.;  Wang, Y. G.
收藏  |  浏览/下载：5/0  |  提交时间：2019/12/11
The reassessment of the structural transition regions along the liquidus of Fe-Si alloys and a possible liquid-liquid structural transition in FeSi2 alloy 期刊论文
PHYSICS LETTERS A, 2018, 卷号: 382, 期号: 37, 页码: 2655-2661
作者:  Li, Xinxin;  Wang, Jin;  Qin, Jingyu;  Dong, Bangshao;  Pan, Shaopeng
收藏  |  浏览/下载：1/0  |  提交时间：2019/12/11
Mg fragments and Al bonded networks in liquid Mg-Al alloys 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2017, 卷号: 129, 页码: 115-122
作者:  Wang, Jin;  Li, Xinxin;  Pan, Shaopeng;  Qin, Jingyu
收藏  |  浏览/下载：4/0  |  提交时间：2019/12/11
Direct Learning Hidden Excited State Interaction Patterns from ab initio Dynamics and Its Implication as Alternative Molecular Mechanism Models 期刊论文
SCIENTIFIC REPORTS, 2017, 卷号: 7
作者:  Liu, Fang;  Du, Likai;  Zhang, Dongju;  Gao, Jun
收藏  |  浏览/下载：5/0  |  提交时间：2019/12/12
Protonation-modulated localization of excess electrons in histidine aqueous solutions revealed by ab initio molecular dynamics simulations: anion-centered versus cation-centered localization 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 卷号: 19, 期号: 21, 页码: 13807-13818
作者:  Gao, Liang;  Bu, Yuxiang
收藏  |  浏览/下载：5/0  |  提交时间：2019/12/12
Influence of Ag substitution on the local structure and glass-forming ability of Al86Ni(8-x)Y6Agx (X=0,1,2) liquids 期刊论文
PHYSICS AND CHEMISTRY OF LIQUIDS, 2016, 卷号: 54, 期号: 1, 页码: 98-109
作者:  Liu, Yao;  Wang, Jin;  Qin, Jingyu;  Schumacher, Gerhard
收藏  |  浏览/下载：2/0  |  提交时间：2019/12/16
Bifurcate localization modes of excess electron in aqueous Ca2+ ... amide solution revealed by ab initio molecular dynamics simulation: towards hydrated electron versus hydrated amide anion 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 卷号: 18, 期号: 28, 页码: 18868-18879
作者:  Zhang, Ru;  Bu, Yuxiang
收藏  |  浏览/下载：3/0  |  提交时间：2019/12/17
The structure and thermodynamic properties of liquid Al-Si alloys by ab initio molecular dynamics simulation 期刊论文
JOURNAL OF NON-CRYSTALLINE SOLIDS, 2016, 卷号: 433, 页码: 31-37
作者:  Qin, Jingyu;  Pan, Shaopeng;  Qi, Yuanhua;  Gu, Tingkun
收藏  |  浏览/下载：3/0  |  提交时间：2019/12/17
Structural transition region of liquid Mg-Li alloys 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2016, 卷号: 117, 页码: 259-265
作者:  Wang, Jin;  Zhang, Qiang;  Qin, Jingyu
收藏  |  浏览/下载：2/0  |  提交时间：2019/12/17

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