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力学研究所 [34]
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期刊论文 [157]
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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
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)
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  |  
浏览/下载:17/0
  |  
提交时间:2023/02/03
soft segment
flexible polymer
stiffness
strain rate
molecular dynamics
An emb e dde d-atom method potential for studying the properties of Fe-Pb solid-liquid interface
期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2022, 卷号: 572
作者:
Lei, Yawei
;
Zhang, Jingdan
;
Zhang, Yange
;
Li, Xiangyan
;
Xu, Yichun
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2022/12/23
Fe-Pb system
Force -matching method
EAM potential
Corrosion
Liquid properties
Molecular dynamics simulation and modelling on the dust-wall interactions in tokamak
期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2022, 卷号: 572
作者:
Niu, Guo-Jian
;
Xu, Qian
;
Yang, Zhong-Shi
;
He, Tao
;
Nian, Fei-Fei
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  |  
浏览/下载:20/0
  |  
提交时间:2022/12/23
Molecular dynamics
Wall
Plasma -facing material
Dust
Material damage
Radiation damage accumulation mechanisms at iron grain boundaries revealed by coupled atomic and coarse-grained simulations via the parameter-passing and structural feedback
期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2022, 卷号: 572
作者:
Li, Xiangyan
;
Li, Xiaolin
;
Zhang, Yange
;
Xu, Yichun
;
Wu, Xuebang
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  |  
浏览/下载:22/0
  |  
提交时间:2022/12/23
Grain boundary
Multiscale simulation
Structural relaxation
Defects clusters
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
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2023/02/03
paleoredox proxy
ab initio molecular dynamics
implicit solvent model
dispersion correction
water-droplet
periodical boundary condition
Perspectives of Machine Learning Development on Kerogen Molecular Model Reconstruction and Shale Oil/Gas Exploitation
期刊论文
ENERGY & FUELS, 2022, 页码: 20
作者:
Kang DL(康东亮)
;
Ma J(马骏)
;
Zhao YP(赵亚溥)
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  |  
浏览/下载:19/0
  |  
提交时间:2023/02/03
A spectroscopic approach to identifying the out-of-plane conformations of Ni(II) meso-tetraphenylporphyrin in solution
期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2022, 卷号: 1269
作者:
Wang, Shenhao
;
Huang, Qing
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  |  
浏览/下载:16/0
  |  
提交时间:2022/12/23
NiTPP
Out-of-plane deformations
DFT
Molecular dynamics
Raman spectroscopy
1 H-NMR
The Role of NMR in Metal Organic Frameworks: Deep Insights into Dynamics, Structure and Mapping of Functional Groups
期刊论文
MATERIALS TODAY ADVANCES, 2022, 卷号: 16
作者:
Rehman, Sajid Ur
;
Xu, Shuai
;
Xu, Huangtao
;
Tao, Tongxiang
;
Li, Yunyan
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2022/12/22
Metal organic frameworks
NMR
mapping of functional groups
host-guest interaction
Characterizing the Status of Energetic Metabolism of Dinoflagellate Resting Cysts under Mock Conditions of Marine Sediments via Physiological and Transcriptional Measurements
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2022, 卷号: 23, 期号: 23, 页码: 16
作者:
Li, Fengting
;
Yue, Caixia
;
Deng, Yunyan
;
Tang, Ying Zhong
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2023/02/01
ATP content
energetic metabolism
resting cyst
Scrippsiella acuminata
tricarboxylic acid cycle
viability
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