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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, 卷号: 7, 期号: 1, 页码: 142-155
作者:  He, Yuyang;  Gao, Caihong;  Wei, Wei;  Liu, Yun
Adobe PDF(3228Kb)  |  收藏  |  浏览/下载：49/0  |  提交时间：2024/01/08
paleoredox proxy  ab initio molecular dynamics  implicit solvent model  dispersion correction  water-droplet  periodical boundary condition  
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, 2022, 页码: 14
作者:  He YY(何雨旸);  Gao,Caihong;  Wei,Wei;  Liu,Yun
Adobe PDF(3228Kb)  |  收藏  |  浏览/下载：413/275  |  提交时间：2023/02/03
paleoredox proxy  ab initio molecular dynamics  implicit solvent model  dispersion correction  water-droplet  periodical boundary condition  
A constitutive model for metallic glasses based on two-temperature nonequilibrium thermodynamics 期刊论文
INTERNATIONAL JOURNAL OF PLASTICITY, 2022, 卷号: 154, 页码: 29
作者:  Rao W(饶威);  Chen Y(陈艳);  Dai LH(戴兰宏)
Adobe PDF(7912Kb)  |  收藏  |  浏览/下载：172/26  |  提交时间：2022/07/18
Metallic glasses  Constitutive model  Nonequilibrium  Configurational temperature  Deformation mode  Shear band  
A hierarchically correlated flow defect model for metallic glass: Universal understanding of stress relaxation and creep 期刊论文
INTERNATIONAL JOURNAL OF PLASTICITY, 2022, 卷号: 154, 页码: 19
作者:  Hao Q;  Lyu GJ;  Pineda E;  Pelletier JM.;  Yang Y;  Qiao JC
Adobe PDF(7826Kb)  |  收藏  |  浏览/下载：170/39  |  提交时间：2022/06/11
Metallic glass  Stress relaxation  Creep  Non-elastic deformation  
Atomic-scale evidence of chemical short-range order in CrCoNi medium-entropy alloy 期刊论文
ACTA MATERIALIA, 2022, 卷号: 224, 页码: 11
作者:  Zhou LL(周玲玲);  Wang, Qi;  Wang J(王晶);  Chen XF(陈雪飞);  Jiang P(姜萍);  Zhou, Hao;  Yuan FP(袁福平);  Wu XL(武晓雷);  Cheng, Zhiying;  Ma, En
Adobe PDF(5932Kb)  |  收藏  |  浏览/下载：176/48  |  提交时间：2022/06/11
Chemical short-range order  High-entropy alloy  Microstructure  
Giant configurational softening controls atomic-level process of shear banding in metallic glasses 期刊论文
PHYSICAL REVIEW MATERIALS, 2021, 卷号: 5, 期号: 12, 页码: 8
作者:  Yang ZY(杨增宇);  Dai LH(戴兰宏)
Adobe PDF(2207Kb)  |  收藏  |  浏览/下载：199/40  |  提交时间：2022/01/12
Chemical short-range order in Fe50Mn30Co10Cr10 high-entropy alloy 期刊论文
MATERIALS TODAY NANO, 2021, 卷号: 16, 页码: 11
作者:  Liu D(刘动);  Wang, Q.;  Wang J(王健);  Chen XF(陈雪飞);  Jiang P(姜萍);  Yuan FP(袁福平);  Cheng, Z. Y.;  Ma, E.;  Wu XL(武晓雷)
Adobe PDF(4939Kb)  |  收藏  |  浏览/下载：390/106  |  提交时间：2021/11/15
Chemical short-range order  High-entropy alloy  Spatially correlated distribution  Fe50Mn30Co10Cr10  
A hybrid kinetic WGVC-WENO scheme for compressible flows 期刊论文
COMPUTERS & FLUIDS, 2021, 卷号: 229, 页码: 12
作者:  He K(何康);  Liu HW(刘洪伟);  Li XL(李新亮)
Adobe PDF(2656Kb)  |  收藏  |  浏览/下载：288/55  |  提交时间：2021/11/01
Gas kinetic theory  WGVC-WENO methods  Hybrid flux  Numerical dissipation  
Shock wave and turbulent boundary layer interaction in a double compression ramp 期刊论文
COMPUTERS & FLUIDS, 2021, 卷号: 229, 页码: 15
作者:  Tong FL(童福林);  Duan JY(段俊亦);  Li XL(李新亮)
Adobe PDF(10792Kb)  |  收藏  |  浏览/下载：263/38  |  提交时间：2021/11/01
Shock wave  Turbulent boundary layer  Double compression ramp  Direct numerical simulation  
Mechanical Properties and Deformation Mechanisms of Graphene Foams with Bi-Modal Sheet Thickness by Coarse-Grained Molecular Dynamics Simulations 期刊论文
MATERIALS, 2021, 卷号: 14, 期号: 19, 页码: 14
作者:  Liu, Shenggui;  Lyu, Mindong;  Wang C(王超)
Adobe PDF(7393Kb)  |  收藏  |  浏览/下载：228/33  |  提交时间：2021/11/29
graphene foam materials  microstructure  bi-modal sheet thickness  stress-strain curve  coarse-grained molecular dynamics