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Stable and 7.7 wt% hydrogen storage capacity of Ti decorated Irida-Graphene from first-principles calculations 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2024, 卷号: 50, 页码: 738-748
作者:  Tan, Yongkang;  Tao, Xiaoma;  Ouyang, Yifang;  Peng Q(彭庆)
收藏  |  浏览/下载：36/0  |  提交时间：2024/02/05
Irida-graphene  Hydrogen storage  Titanium decoration  First-principles calculation  
Superior hydrogen permeation resistance via Ni-graphene nanocomposites: Insights from atomistic simulations 期刊论文
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T, 2024, 卷号: 28, 页码: 2086-2097
作者:  Huang, Hai;  Peng Q(彭庆);  Tang, Xiaobin
收藏  |  浏览/下载：30/0  |  提交时间：2024/02/19
Hydrogen embrittlement  Ni/graphene interface  Diffusion  Trapping  Permeation resistance  Atomistic simulations  
Particle dynamics in vertical vibration-driven immersed granular systems: A study with resolved computational fluid dynamics-discrete element method 期刊论文
PHYSICS OF FLUIDS, 2023, 卷号: 35, 期号: 12, 页码: 21
作者:  Wang C(王驰);  Wei, Lubin;  An Y(安翼)
Adobe PDF(6563Kb)  |  收藏  |  浏览/下载：37/2  |  提交时间：2024/02/19
Collision integrals of electronically excited atoms in air plasmas. I. N-N and O-O interactions 期刊论文
PLASMA SOURCES SCIENCE & TECHNOLOGY, 2023, 卷号: 32, 期号: 12, 页码: 28
作者:  Zhao, Wensheng;  Hong, Qizhen;  Yang, Chao;  Sun, Quanhua;  Hu, Yuan
Adobe PDF(1803Kb)  |  收藏  |  浏览/下载：33/0  |  提交时间：2024/01/02
collision integrals  potential energy curves  air plasmas  N-N and O-O interactions  electronic excitation  
Element-dependent evolution of chemical short-range ordering tendency of NiCoFeCrMn under irradiation 期刊论文
INTERNATIONAL JOURNAL OF PLASTICITY, 2023, 卷号: 171, 页码: 15
作者:  Zhou, Yundi;  Shi, Tan;  Li, Jing;  Wu, Lu;  Peng Q(彭庆);  Lu, Chenyang
Adobe PDF(8104Kb)  |  收藏  |  浏览/下载：53/2  |  提交时间：2024/01/01
High-entropy alloys  Short-range order  Molecular dynamics  Kinetic Monte Carlo  Irradiation damage  
Simulation of grout diffusion in fractured rock mass by equivalent seepage lattice elements 期刊论文
ENGINEERING ANALYSIS WITH BOUNDARY ELEMENTS, 2023, 卷号: 157, 页码: 207-215
作者:  Li, Jing;  Zhu XG(朱心广);  Feng C(冯春);  Wang LX(王理想);  Han GF(韩国锋);  Zhang, Yiming
Adobe PDF(1642Kb)  |  收藏  |  浏览/下载：11/0  |  提交时间：2024/02/26
Seepage lattice element  Bingham fluid  Equivalent fracture-pore  Grout diffusion  Parameter study  
Improved Quantum-Classical Treatment of N2-N2 Inelastic Collisions: Effect of the Potentials and Complete Rate Coefficient Data Sets 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2023, 卷号: 19, 期号: 23, 页码: 8557-8571
作者:  Hong QZ(洪启臻);  Storchi, Loriano;  Sun QH(孙泉华);  Bartolomei, Massimiliano;  Pirani, Fernando;  Coletti, Cecilia
Adobe PDF(5231Kb)  |  收藏  |  浏览/下载：25/0  |  提交时间：2024/01/22
Calculation of particle volume fraction in computational fluid dynamics-discrete element method simulation of particulate flows with coarse particles 期刊论文
PHYSICS OF FLUIDS, 2023, 卷号: 35, 期号: 11, 页码: 17
作者:  Zhang Y(张岩);  Ren WL(任万龙);  Li P(李鹏);  Zhang XH(张旭辉);  Lu XB(鲁晓兵)
Adobe PDF(3537Kb)  |  收藏  |  浏览/下载：55/6  |  提交时间：2024/01/22
Computer modeling of thermotransport in a uniform binary liquid solution with equimolar n-alkane mixtures 期刊论文
PHYSICS OF FLUIDS, 2023, 卷号: 35, 期号: 11, 页码: 10
作者:  Zhong, Jun;  Xu, Shenghua
Adobe PDF(1162Kb)  |  收藏  |  浏览/下载：46/1  |  提交时间：2023/12/18
Theoretical Calculations Facilitating Catalysis for Advanced Lithium-Sulfur Batteries 期刊论文
MOLECULES, 2023, 卷号: 28, 期号: 21, 页码: 27
作者:  Fang, Xue-Ting;  Zhou, Lei;  Chen CG(陈春光);  Danilov, Dmitri L.;  Qiao, Fen;  Li, Haitao;  Notten, Peter H. L.
Adobe PDF(11209Kb)  |  收藏  |  浏览/下载：75/2  |  提交时间：2023/12/11
calculations  catalysis  Lithium-sulfur batteries  polysulfides  conversion kinetics