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武汉物理与数学研究... [11]
清华大学 [9]
西安交通大学 [2]
大连理工大学 [2]
山东大学 [2]
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期刊论文 [37]
会议论文 [3]
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浏览/检索结果:
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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)
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2022/11/21
Adsorption
Potential energy
Self -diffusion coefficient
Molecular dynamics
Diacid Molecules Welding Achieved Self-Adaption Layered Structure Ti3C2 MXene toward Fast and Stable Lithium-Ion Storage
期刊论文
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2021, 卷号: 9, 期号: 38, 页码: 12930-12939
作者:
Liu, Mao-Cheng
;
Zhang, Bin-Mei
;
Zhang, Yu-Shan
;
Hu, Yu-Xia
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  |  
浏览/下载:19/0
  |  
提交时间:2021/10/14
Ti3C2
enlarging interlayer spacing
self-adaption
diffusion coefficient
lithium-ion storage
Molecular dynamics investigation of thermo-physical properties and hydrogen-bonds of 1-ethyl-3-methylimidazolium dimethylphosphate-water system
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2017, 卷号: 237, 页码: 89-98
作者:
Li, Tianyu
;
Zhao, Zongchang
;
Zhang, Xiaodong
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  |  
浏览/下载:4/0
  |  
提交时间:2019/12/02
Ionic liquid
Binary solution
Molecular dynamics simulation
Self-diffusion coefficient
Hydrogen-bonds
In situ NMR diffusion coefficients assessment of lithium ion conductor using electrochemical priors and Arrhenius constraint-A computational study
期刊论文
CHINESE CHEMICAL LETTERS, 2017
Deng, Liang
;
Yang, Wen-Hui
;
Lyu, Xing
;
Wei, Shu-Feng
;
Wang, Zheng
;
Wang, Hui-Xian
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2017/12/03
Lithium ion conductor
Diffusion coefficient
Nuclear magnetic resonance
Pulsed-field gradient
Electrochemical priors
SELF-DIFFUSION
FIELD GRADIENT
SPECTROSCOPY
BATTERIES
IDENTIFICATION
SYSTEMS
MRI
Towards the calculations of redox potentials in molten LiCl-KCl eutectic by ensemble averages based on first principles molecular dynamics
期刊论文
ELECTROCHIMICA ACTA, 2017, 卷号: 248, 页码: 462-469
作者:
Song, Jia[1]
;
Li, Xuejiao[2]
;
Shi, Shuping[3]
;
Yan, Liuming[4]
;
Jiang, Tao[5]
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2019/04/24
Ensemble average
First principles molecular dynamics
Redox potential
Molten salt
Spent nuclear fuel
Self-diffusion coefficient
Ionic conductivity
Viscosity
Study on the differences of Na- and Ca-montmorillonites in crystalline swelling regime through molecular dynamics simulation
期刊论文
Advanced Powder Technology, 2016, 卷号: 27, 期号: 2, 页码: 779-785
作者:
Zhang, Xian
;
Yi, Hao
;
Zhao, Yunliang
;
Min, Fanfei
;
Song, Shaoxian*
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  |  
浏览/下载:35/0
  |  
提交时间:2019/12/04
Montmorillonite
Crystalline swelling
Molecular dynamics simulations
Self-diffusion coefficient
Molecular dynamics simulations of hydration shell on montmorillonite (001) in water
期刊论文
Surface and Interface Analysis, 2016, 卷号: 48, 期号: 9, 页码: 976-980
作者:
Yi, Hao
;
Zhang, Xian
;
Zhao, Yunliang*
;
Liu, Lingyun
;
Song, Shaoxian
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2019/12/04
montmorillonite
hydration shell
molecular dynamics simulation
concentration profile
self‐diffusion coefficient
Recent Progresses in Molecule Motors Driven by Enzymatic Reactions
期刊论文
CHINESE JOURNAL OF ANALYTICAL CHEMISTRY, 2016, 卷号: 44, 期号: 7, 页码: 1133-1138
作者:
Qin, WW
;
Sun, LL
;
Peng, TH
;
Xu, Y
;
Gao, YJ
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2017/03/02
Enzymatic reaction
Diffusion coefficient
Chemotaxis
Self-propelled
Nanomotor
Review
A molecular dynamic investigation of viscosity and diffusion coefficient of nanoclusters in hydrocarbon fluids
期刊论文
Computational Materials Science, 2015, 卷号: 99, 页码: 242-246
A.
;
Stair Loya, J. L.
;
Jafri, A. R.
;
Yang, K.
;
Ren, G. G.
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  |  
浏览/下载:22/0
  |  
提交时间:2015/05/08
Diffusion coefficient
Nano-fluids
Molecular dynamics
Viscosity
LAMMPS
self-diffusion
tribological properties
heat-transfer
oil
nanoparticles
enhancement
simulations
nanofluids
mixtures
paraffin
Molecular dynamics study on water self-diffusion in aqueous mixtures of methanol, ethylene glycol and glycerol: investigations from the point of view of hydrogen bonding
期刊论文
MOLECULAR PHYSICS, 2013, 卷号: 111, 页码: 939-949
作者:
Zhang, Ning
;
Li, Weizhong
;
Chen, Cong
;
Zuo, Jianguo
;
Weng, Lindong
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/11
molecular dynamics simulation
water
alcohols
self-diffusion coefficient
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