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Changes in the three-dimensional molecular structure of coal during methane adsorption induced swelling 期刊论文
PROCESS SAFETY AND ENVIRONMENTAL PROTECTION, 2023, 卷号: 180, 页码: 56-66
Authors:  Shen, Zhen;  Liu, Yu;  Lei, Junhuan;  Shen WJ(沈伟军);  Wang, Yuheng;  Xu, Cheng;  Gong, Jiaxun
Adobe PDF(8111Kb)  |  Favorite  |  View/Download：97/8  |  Submit date：2023/12/11
Methane adsorption  Chemical structure  Chemical bond  Coal macromolecular structure  
Surface modification of Fe5C2 by binding silica-based ligand: A theoretical explanation of enhanced C2 oxygenate selectivity 期刊论文
MOLECULAR CATALYSIS, 2023, 卷号: 547, 页码: 113333
Authors:  Yin, Junqing;  Wang, Shuyuan;  Xu, Dan;  You, Yong;  Liu, Xingchen;  Peng Q(彭庆)
Adobe PDF(4229Kb)  |  Favorite  |  View/Download：36/0  |  Submit date：2023/09/05
Surface modification  Iron carbide  Support -like ligand  Catalytic selectivity  Fischer-Tropsch Synthesis  
聚脲本构关系与抗冲击机理研究 学位论文
博士论文，北京: 中国科学院大学, 2023
Authors:  龚臣成
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聚脲  抗冲击  粘弹性  自由体积  本构模型  
Effects of oxidizers on the ignition and combustion characteristics of aluminum nanoparticles 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 223, 页码: 112116
Authors:  Zhou, Yintao;  Shi, Baolu;  Chu, Qingzhao;  Liao LJ(廖丽涓)
Adobe PDF(8464Kb)  |  Favorite  |  View/Download：91/5  |  Submit date：2023/04/20
Aluminum nanoparticles  Oxidizer atmospheres  Ignition and combustion  Energy release  Reactive molecular dynamic simulation  
Study of Viscoelastic Properties of Graphene Foams Using Dynamic Mechanical Analysis and Coarse Grained Molecular Dynamics Simulations 期刊论文
MATERIALS, 2023, 卷号: 16, 期号: 6, 页码: 2457
Authors:  Liu, Shenggui;  Lyu, Mindong;  Yang, Cheng;  Jiang MQ(蒋敏强);  Wang C(王超)
Adobe PDF(4572Kb)  |  Favorite  |  View/Download：47/1  |  Submit date：2023/04/20
graphene foam materials  viscoelastic properties  dynamic mechanical analysis  microstructure  coarse grained molecular dynamics simulation  
Emergent failure transition of pearlitic steel at extremely high strain rates 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 219, 页码: 13
Authors:  Liang LW(梁伦伟);  Dai SC(戴仕诚);  Chen Y(陈艳);  Wang HY(汪海英);  Wang YJ(王云江);  Dai LH(戴兰宏)
Adobe PDF(20162Kb)  |  Favorite  |  View/Download：111/1  |  Submit date：2023/03/20
Pearlitic steels  Fracture  Crack  Dislocation nucleation  Molecular dynamics  
Mechanisms of the improved stiffness of flexible polymers under impact loading 期刊论文
NANOTECHNOLOGY REVIEWS, 2022, 卷号: 11, 期号: 1, 页码: 3281-3291
Authors:  Chen,Fengxiao;  Fan,Jitang;  Hui,David;  Wang C(王超);  Yuan FP(袁福平);  Wu XL(武晓雷)
Adobe PDF(3400Kb)  |  Favorite  |  View/Download：157/30  |  Submit date：2023/02/03
soft segment  flexible polymer  stiffness  strain rate  molecular dynamics  
A regime beyond the Hall-Petch and inverse-Hall-Petch regimes in ultrafine-grained solids 期刊论文
COMMUNICATIONS PHYSICS, 2022, 卷号: 5, 期号: 1, 页码: 9
Authors:  Zhang, Huijun;  Liu, Feng;  Ungar, Goran;  Zheng ZY(郑中玉);  Sun, Qingping;  Han, Yilong
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干酪根热解和力学性质的多尺度研究 学位论文
硕士论文，北京: 中国科学院大学, 2022
Authors:  魏子雄
Adobe PDF(6532Kb)  |  Favorite  |  View/Download：276/8  |  Submit date：2023/01/03
干酪根  热解  反应力场分子动力学  介观尺度  细观力学  
基于机器学习的干酪根热演化与流动的量子力学机制研究 学位论文
硕士论文，北京: 中国科学院大学, 2022
Authors:  马骏
Adobe PDF(4603Kb)  |  Favorite  |  View/Download：216/5  |  Submit date：2023/01/09
干酪根热演化，不可压缩薛定谔流动，机器学习，量子力学，轨道杂化