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Temperature-Dependent Paracrystalline Nucleation in Atomically Disordered Diamonds 期刊论文
NANO LETTERS, 2023, 卷号: 24, 期号: 1, 页码: 312-318
作者:  Zhang, Zhongting;  Fang, Zhouyu;  Wu HA(吴恒安);  Zhu, Yinbo
Adobe PDF(5111Kb)  |  收藏  |  浏览/下载：20/2  |  提交时间：2024/02/19
paracrystalline diamonds  atomically disordered diamonds  amorphous carbons  free energy surface  
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：54/3  |  提交时间：2024/02/05
shale  pore size distribution  molecular simulation  low-temperature nitrogen adsorption  
Electric-field-induced ion evaporation from the ionic liquid-vacuum interface 期刊论文
PHYSICS OF FLUIDS, 2023, 卷号: 35, 期号: 12, 页码: 13
作者:  Tao XZ(陶贤赞);  Jiang XK(蒋玺恺)
Adobe PDF(3113Kb)  |  收藏  |  浏览/下载：6/0  |  提交时间：2024/04/02
An atomistic study on grain-size and temperature effects on mechanical properties of polycrystal CoCrFeNi high-entropy alloys 期刊论文
MATERIALS TODAY COMMUNICATIONS, 2023, 卷号: 37, 页码: 11
作者:  Xie, Lu;  Wu, Guangda;  Peng Q(彭庆);  Liu, Junpeng;  Li, Dongyue;  Wang, Wenrui
Adobe PDF(18987Kb)  |  收藏  |  浏览/下载：62/2  |  提交时间：2024/01/02
High-entropy alloys  Grain size  Temperature  Twinning  Phase transition  
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：95/1  |  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：103/1  |  提交时间：2023/12/11
Molecular dynamics simulation  Hydrogen  Crack propagation  Plasma-facing materials  Tungsten  
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  
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
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：27/0  |  提交时间：2024/01/02
microscale transport  kinetic theory  
Amorphous Thickness-Dependent Strengthening-Softening Transition in Crystalline-Amorphous Nanocomposites 期刊论文
NANO LETTERS, 2023, 卷号: 23, 期号: 23, 页码: 11288-11296
作者:  Qian, Lei;  Yang, Wenqing;  Luo, Jiasi;  Wang YJ(王云江);  Chan, K C;  Yang, XuSheng
Adobe PDF(10103Kb)  |  收藏  |  浏览/下载：13/1  |  提交时间：2024/02/19
crystalline-amorphous nanocomposite  Cu-CuTa  atomistic simulations  codeformationcooperative mechanisms