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Molecular Simulation of Nitrogen Adsorption in Multidimensional Nanopores and New Insights into the Inversion of Pore Size Distribution for Gas Shale 期刊论文
ENERGIES, 2023, 卷号: 16, 期号: 24, 页码: 20
作者:  Chen Z(陈卓);  Lin M(林缅);  Jiang WB(江文滨);  Cao GH(曹高辉)
Adobe PDF(6169Kb)  |  收藏  |  浏览/下载：65/5  |  提交时间：2024/02/05
shale  pore size distribution  molecular simulation  low-temperature nitrogen adsorption  
Impact of local chemical ordering on deformation mechanisms in single-crystalline CuNiCoFe high-entropy alloys: a molecular dynamics study 期刊论文
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2023, 卷号: 31, 期号: 8, 页码: 13
作者:  Shuang, Siyao;  Liang, Yanxiang;  Zhang, Xie;  Yuan FP(袁福平);  Kang, Guozheng;  Zhang, Xu
Adobe PDF(3676Kb)  |  收藏  |  浏览/下载：104/3  |  提交时间：2023/11/28
high-entropy alloy  local chemical order  concentration inhomogeneity  softening effect  plasticity  
Atomistic insights into the influence of hydrogen on crack propagation in tungsten 期刊论文
FUSION ENGINEERING AND DESIGN, 2023, 卷号: 197, 页码: 11
作者:  Shi, Jun;  Li, Bingchen;  Li, Lei;  Liu, Yifan;  Fan, Xinyue;  Peng Q(彭庆);  Liang, Linyun;  Jin, Shuo;  Lu, Guanghong
Adobe PDF(27292Kb)  |  收藏  |  浏览/下载：113/3  |  提交时间：2023/12/11
Molecular dynamics simulation  Hydrogen  Crack propagation  Plasma-facing materials  Tungsten  
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
作者:  Shen, Zhen;  Liu, Yu;  Lei, Junhuan;  Shen WJ(沈伟军);  Wang, Yuheng;  Xu, Cheng;  Gong, Jiaxun
Adobe PDF(8111Kb)  |  收藏  |  浏览/下载：90/7  |  提交时间：2023/12/11
Methane adsorption  Chemical structure  Chemical bond  Coal macromolecular structure  
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：74/8  |  提交时间：2024/01/01
High-entropy alloys  Short-range order  Molecular dynamics  Kinetic Monte Carlo  Irradiation damage  
Molecular kinetic modelling of non-equilibrium transport of confined van der Waals fluids 期刊论文
JOURNAL OF FLUID MECHANICS, 2023, 卷号: 976, 页码: 36
作者:  Shan, Baochao;  Su, Wei;  Gibelli, Livio;  Zhang YH(张勇豪)
Adobe PDF(1113Kb)  |  收藏  |  浏览/下载：32/0  |  提交时间：2024/01/02
microscale transport  kinetic theory  
基于纳米孔传感的蛋白质构象动力学特征研究 学位论文
博士论文，北京: 中国科学院大学, 2023
作者:  张明焜
Adobe PDF(9719Kb)  |  收藏  |  浏览/下载：77/2  |  提交时间：2024/01/19
纳米孔传感，αXβ2整合素，分子动力学，回转椭球体近似，拉伸分子动力学  
Membrane-Mediated Cooperative Interactions of CD47 and SIRPα 期刊论文
MEMBRANES, 2023, 卷号: 13, 期号: 11, 页码: 13
作者:  Li L(李龙);  Gui, Chen;  Hu, Jinglei;  Rozycki, Bartosz
Adobe PDF(1018Kb)  |  收藏  |  浏览/下载：23/1  |  提交时间：2024/01/02
membrane adhesion  biomimetics  computer simulations  CD47  SIRP alpha  
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
作者:  Xie, Lu;  DaWu, Guang;  Peng Q(彭庆);  Wang, WenRui
Adobe PDF(23653Kb)  |  收藏  |  浏览/下载：68/2  |  提交时间：2023/09/05
FeCrAl alloy  Lead-bismuth eutectic  Dissolution and diffusion  Solid-liquid interface  Molecular dynamics  
DeepStSNet: Reconstructing the quantum state-resolved thermochemical nonequilibrium flowfield using deep neural operator learning with scarce data 期刊论文
JOURNAL OF COMPUTATIONAL PHYSICS, 2023, 卷号: 491, 页码: 112344
作者:  Lv JQ(吕家琦);  Hong QZ(洪启臻);  Wang XY(王小永);  Mao, Zhiping;  Sun QH(孙泉华)
Adobe PDF(5558Kb)  |  收藏  |  浏览/下载：70/1  |  提交时间：2023/09/26
Hypersonic  Thermochemical nonequilibrium  State-to-state approach  Deep learning  Multiphysics  Data assimilation