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Insights into the effect of water content on asphaltene aggregation behavior and crude oil rheology: A molecular dynamics simulation study
期刊论文
OAI收割
JOURNAL OF MOLECULAR LIQUIDS, 2024, 卷号: 396, 页码: 9
作者:
Zhu, Bojin
;
Yang, Menglong
;
Yan, Youguo
;
Zhong, Jie
;
Li, Jiawei
  |  
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2024/04/07
W/O emulsions
Water content
Asphaltene polar adsorption
Viscosity mechanism
MD simulations
Effects of Chemical Short-Range Order and Lattice Distortion on Crack-Tip Behavior of Medium-Entropy Alloy by Atomistic Simulations
期刊论文
OAI收割
METALS, 2024, 卷号: 14, 期号: 2, 页码: 14
作者:
Zhu, Xiuju
;
Cao, Fuhua
;
Dai, Lanhong
;
Chen, Yan
;
Dai LH(戴兰宏)
  |  
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2024/04/02
chemical short-range order
lattice distortion
J-integral
localized deformation zone
crack
molecular dynamics
Enhancing geometric representations for molecules with equivariant vector-scalar interactive message passing
期刊论文
OAI收割
NATURE COMMUNICATIONS, 2024, 卷号: 15, 期号: 1, 页码: 13
作者:
Wang, Yusong
;
Wang, Tong
;
Li, Shaoning
;
He, Xinheng
;
Li, Mingyu
  |  
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2024/02/27
Discovery of hematopoietic progenitor kinase 1 inhibitors using machine learning-based screening and free energy perturbation
期刊论文
OAI收割
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2024, 页码: 13
作者:
Feng, Dazhi
;
Liu, Bo
;
Chen, Zhiwei
;
Xu, Jinyi
;
Geng, Meiyu
  |  
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2024/02/27
HPK1 inhibitor
machine learning
virtual screening
free energy perturbation
structural modification
Exploring the mechanism of the PTP1B inhibitors by molecular dynamics and experimental study
期刊论文
OAI收割
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023, 卷号: 125, 页码: 12
作者:
Zhao, Tian-Tian
;
Hu, Hao-Jie
;
Gao, Li-Xin
;
Zhou, Yu-Bo
;
Zhu, Yun-Long
  |  
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2023/10/17
Protein tyrosine phosphatases inhibitors
PTP1B inhibitors
Mechanism study
Molecular dynamics
Atomistic insights into the influence of hydrogen on crack propagation in tungsten
期刊论文
OAI收割
FUSION ENGINEERING AND DESIGN, 2023, 卷号: 197, 页码: 11
作者:
Shi, Jun
;
Li, Bingchen
  |  
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2023/12/11
Molecular dynamics simulation
Hydrogen
Crack propagation
Plasma-facing materials
Tungsten
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
OAI收割
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)
  |  
收藏
  |  
浏览/下载:3/0
  |  
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
OAI收割
PHYSICS OF FLUIDS, 2023, 卷号: 35, 期号: 12, 页码: 13
作者:
Tao, Xianzan
;
Jiang, Xikai
  |  
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2024/04/02
Designing polyurethane-based microcapsules with tailored swelling behaviours for enhanced oil recovery
期刊论文
OAI收割
MOLECULAR SYSTEMS DESIGN & ENGINEERING, 2023, 页码: 10
作者:
Wang, Tongyi
;
Liu, Yongsheng
;
Li, Jiawei
;
Zhang, Jun
;
Hou, Jian
  |  
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2024/04/07
Molecular dynamics simulation on the dissolution and diffusion characteristics of FeCrAl alloy in liquid LBE
期刊论文
OAI收割
ANNALS OF NUCLEAR ENERGY, 2023, 卷号: 192, 页码: 109983
作者:
Xie, Lu
;
DaWu, Guang
;
Peng Q(彭庆)
;
Wang, WenRui
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2023/09/05
FeCrAl alloy
Lead-bismuth eutectic
Dissolution and diffusion
Solid-liquid interface
Molecular dynamics