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Occurrence characteristics and influential factors of movable oil in nano-pores by molecular dynamics simulation 期刊论文
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2022, 卷号: 655, 页码: 10
作者:  Luo,Yongcheng;  Xiao,Hanmin;  Liu,Xiangui;  Zheng TY(郑太毅)
Adobe PDF(11320Kb)  |  收藏  |  浏览/下载：163/46  |  提交时间：2022/11/21
Adsorption  Potential energy  Self -diffusion coefficient  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
作者:  Chen,Fengxiao;  Fan,Jitang;  Hui,David;  Wang C(王超);  Yuan FP(袁福平);  Wu XL(武晓雷)
Adobe PDF(3400Kb)  |  收藏  |  浏览/下载：145/29  |  提交时间：2023/02/03
soft segment  flexible polymer  stiffness  strain rate  molecular dynamics  
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：416/276  |  提交时间：2023/02/03
paleoredox proxy  ab initio molecular dynamics  implicit solvent model  dispersion correction  water-droplet  periodical boundary condition  
Friction and Wear in Nanoscratching of Single Crystals: Effect of Adhesion and Plasticity 期刊论文
NANOMATERIALS, 2022, 卷号: 12, 期号: 23, 页码: 13
作者:  Hu JQ(胡剑桥);  Zeng,Qinglei
Adobe PDF(2998Kb)  |  收藏  |  浏览/下载：248/131  |  提交时间：2023/01/12
adhesion and plasticity  friction coefficient  wear rate  molecular dynamics  nanoscratch simulation  
Mechanical behavior and micro-mechanism of carbon nanotube networks under friction 期刊论文
CARBON, 2022, 卷号: 200, 页码: 108-115
作者:  Hu TX(胡天雄);  Qian GA(钱桂安);  Wu XQ(吴先前);  Wang C(王超)
Adobe PDF(7025Kb)  |  收藏  |  浏览/下载：185/57  |  提交时间：2022/10/23
Carbon nanotube network  Friction  Crosslink  Deformation behavior  Coarse -grained molecular dynamics  
Modulating mechanical performances of metallic amorphous materials through phase gradient 期刊论文
INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES, 2022, 卷号: 234, 页码: 107680
作者:  Guan, Yunlong;  Wang YJ(王云江);  Song, Weidong
Adobe PDF(13550Kb)  |  收藏  |  浏览/下载：134/48  |  提交时间：2022/10/23
Metallic glasses  Strength-ductility synergy  Phase gradient  Shear bands  Molecular dynamics  
Atomistic scale behaviors of intergranular crack propagation along twist grain boundary in iron under dynamic loading 期刊论文
ENGINEERING FRACTURE MECHANICS, 2022, 卷号: 273, 页码: 16
作者:  Zhao ZF(赵志福);  Safaei, Babak;  Wang, Yanfei;  Liu, Yanwei;  Chu, Fulei;  Wei, Yueguang
Adobe PDF(5226Kb)  |  收藏  |  浏览/下载：185/30  |  提交时间：2022/09/27
Dynamic load  Molecular dynamics  Intergranular crack propagation  Stacking fault  Dislocation  
Breakdown of Archard law due to transition of wear mechanism from plasticity to fracture 期刊论文
TRIBOLOGY INTERNATIONAL, 2022, 卷号: 173, 页码: 13
作者:  Hu JQ(胡剑桥);  Song, Hengxu;  Sandfeld, Stefan;  Liu XM(刘小明);  Wei, Yueguang
Adobe PDF(2052Kb)  |  收藏  |  浏览/下载：341/73  |  提交时间：2022/07/18
Archard wear law  Molecular dynamics  Asperity plowing  Dislocation plasticity  Fractured debris  
Role of interface on irradiation damage of Cu-diamond composites using classical molecular dynamics simulations 期刊论文
CERAMICS INTERNATIONAL, 2022, 卷号: 48, 期号: 12, 页码: 16813-16824
作者:  Jin, Yanan;  Huang, Hai;  Zhong, Yinghui;  Yuan, Xiaoting;  Li, Huan;  Lou, Ding;  Xie, Kun;  Liu, Zhongxia;  Cai, Bin;  Peng Q(彭庆)
Adobe PDF(19006Kb)  |  收藏  |  浏览/下载：174/34  |  提交时间：2022/08/22
Thermal management materials  Cu-diamond interface  Displacement cascades  Irradiation tolerance  Molecular dynamics  Spacecraft electronics  
Assessing the critical role of Re and Co addition in flow stress of Ni-based single-crystal superalloy: A molecular dynamics study 期刊论文
MATERIALS TODAY COMMUNICATIONS, 2022, 卷号: 31, 页码: 8
作者:  Liu, Shu-Lan;  Yang, Hui-Jing
Adobe PDF(5549Kb)  |  收藏  |  浏览/下载：170/41  |  提交时间：2022/05/17
Ni-based superalloy  Molecular dynamics  Flow stress  Strengthening mechanism