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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
Authors:  Tan, Yongkang;  Tao, Xiaoma;  Ouyang, Yifang;  Peng Q(彭庆)
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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
Authors:  Huang, Hai;  Peng Q(彭庆);  Tang, Xiaobin
Favorite  |  View/Download：45/0  |  Submit date：2024/02/19
Hydrogen embrittlement  Ni/graphene interface  Diffusion  Trapping  Permeation resistance  Atomistic simulations  
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
Authors:  Zhou, Yundi;  Shi, Tan;  Li, Jing;  Wu, Lu;  Peng Q(彭庆);  Lu, Chenyang
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High-entropy alloys  Short-range order  Molecular dynamics  Kinetic Monte Carlo  Irradiation damage  
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
Authors:  Hong QZ(洪启臻);  Storchi, Loriano;  Sun QH(孙泉华);  Bartolomei, Massimiliano;  Pirani, Fernando;  Coletti, Cecilia
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Theoretical Calculations Facilitating Catalysis for Advanced Lithium-Sulfur Batteries 期刊论文
MOLECULES, 2023, 卷号: 28, 期号: 21, 页码: 27
Authors:  Fang, Xue-Ting;  Zhou, Lei;  Chen CG(陈春光);  Danilov, Dmitri L.;  Qiao, Fen;  Li, Haitao;  Notten, Peter H. L.
Adobe PDF(11209Kb)  |  Favorite  |  View/Download：93/2  |  Submit date：2023/12/11
calculations  catalysis  Lithium-sulfur batteries  polysulfides  conversion kinetics  
Molecular dynamics simulation on the dissolution and diffusion characteristics of FeCrAl alloy in liquid LBE 期刊论文
ANNALS OF NUCLEAR ENERGY, 2023, 卷号: 192, 页码: 109983
Authors:  Xie, Lu;  DaWu, Guang;  Peng Q(彭庆);  Wang, WenRui
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FeCrAl alloy  Lead-bismuth eutectic  Dissolution and diffusion  Solid-liquid interface  Molecular dynamics  
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
Authors:  Zhong, Jun;  Xu SH(徐升华)
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Space-time correlations of passive scalar in Kraichnan model 期刊论文
THEORETICAL AND APPLIED MECHANICS LETTERS, 2023, 卷号: 13, 期号: 5, 页码: 100470
Authors:  Yang PF(杨平凡);  Pan, Liubin;  He GW(何国威)
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Space-time correlation  Passive scalar  Kraichnan model  
Switch of cell migration modes orchestrated by changes of three-dimensional lamellipodium structure and intracellular diffusion 期刊论文
NATURE COMMUNICATIONS, 2023, 卷号: 14, 期号: 1, 页码: 13
Authors:  Jiang, Chao;  Luo, Hong-Yu;  Xu, Xinpeng;  Dou, Shuo-Xing;  Li, Wei;  Guan DS(关东石);  Ye, Fangfu;  Chen, Xiaosong;  Guo, Ming;  Wang, Peng-Ye;  Li, Hui
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Study of the effects of hydraulic fractures on gas and water flow in shale gas reservoirs 期刊论文
Energy Sources, Part A: Recovery Utilization and Environmental Effects, 2023, 卷号: 45, 期号: 3, 页码: 9540-9551
Authors:  Wan YJ;  Chen ZY;  Shen WJ (沈伟军);  Kuang ZX;  Liu XH;  Guo W;  Hu Y
View  |  Adobe PDF(1984Kb)  |  Favorite  |  View/Download：515/98  |  Submit date：2019/11/15
Shale gas reservoir  hydraulic fracture  sensitivity analysis  gas desorption  water retention  gas production