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清华大学 [17]
四川大学 [15]
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半导体研究所 [9]
山东大学 [8]
湖南大学 [8]
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浏览/检索结果:
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Size- and temperature-dependent thermal transport across a Cu-diamond interface: Non-equilibrium molecular dynamics simulations
期刊论文
SURFACES AND INTERFACES, 2023, 卷号: 37, 页码: 102736
作者:
Huang, Hai
;
Zhong, Yinghui
;
Cai, Bin
;
Wang, Jiefang
;
Liu, Zhongxia
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2023/06/15
Interfacial thermal transport
Cu -diamond composites
Size effects
Temperature effects
Non -equilibrium molecular dynamics
Molecular dynamics simulation of the effect of process parameters on Ni/Fe metal thermal spraying
期刊论文
Rare Metal Materials and Engineering, 2021, 卷号: 50, 期号: 6, 页码: 1896-1903
作者:
Ruicheng Feng
;
Jianyong Dong
;
Haiyan Li
;
Yun Dong
;
Chunli Lei
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2021/09/03
Cluster analysis
Melting point
Molecular dynamics
Morphology
Speed
Atomic clusters
Deposition process
Disordered atoms
Effects of temperature
Molecular dynamics simulations
Process parameters
Spraying process
Sub-surface damage
Shock-induced plasticity and damage in single-crystalline Cu at elevated temperatures by molecular dynamics simulations
期刊论文
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER, 2020, 卷号: 158, 页码: 17
作者:
Tian, Xia
;
Cui, Junzhi
;
Ma, Kaipeng
;
Xiang, Meizhen
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  |  
浏览/下载:26/0
  |  
提交时间:2020/09/23
Shock response
Temperature effects
Dislocation density
Spalling
Melting
Molecular dynamics simulations
Diterpenoids as potential anti-inflammatory agents from Ajuga pantantha
期刊论文
BIOORGANIC CHEMISTRY, 2020, 卷号: 101, 页码: 9
作者:
Liu, Wenpei
;
Song, Ziteng
;
Wang, Huimei
;
Yang, Xueyuan
;
Joubert, Elizabeth
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  |  
浏览/下载:63/0
  |  
提交时间:2020/12/24
Nitric oxide inhibitory effects
Ajuga pantantha
Diterpenoids
Inflammation
Molecular docking
Zebrafish model
Efficient and Reliable Nanoindentation Simulation by Dislocation Loop Erasing Method
期刊论文
ACTA MECHANICA SOLIDA SINICA, 2020, 页码: 14
作者:
Shuang F(双飞)
;
Xiao P(肖攀)
;
Bai YL(白以龙)
收藏
  |  
浏览/下载:52/0
  |  
提交时间:2020/08/26
Nanoindentation
Dislocation loops
Boundary effects
Molecular statics
Projectile energy dependence ofLX-ray emission in collisions of Xe(23+)with In target: role of Coulomb ionization and quasi-molecular effects
期刊论文
LASER AND PARTICLE BEAMS, 2020, 卷号: 38, 期号: 2, 页码: 148-151
作者:
Ren, Jieru
;
Zhao, Yongtao
;
Ma, Wencai
;
Wang, Xing
;
Liu, Yu
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2022/01/12
Highly charged ion
inner-shell process
ion-atom collision
molecular effects
Interface configuration effects on excitation, exciton dissociation, and charge recombination in organic photovoltaic heterojunction
期刊论文
International Journal of Quantum Chemistry, 2020, 卷号: 120, 期号: 4
作者:
Bai, Rui-Rong
;
Zhang, Cai-Rong
;
Wu, You-Zhi
;
Yuan, Li-Hua
;
Zhang, Mei-Ling
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  |  
浏览/下载:2/0
  |  
提交时间:2020/11/14
Charge transfer
Density functional theory
Dissociation
Electronic structure
Excited states
Excitons
Heterojunctions
Morphology
Photovoltaic effects
Rate constants
Charge recombinations
Donor-acceptor complex
Donor-acceptor heterojunctions
Excitation properties
Heterojunction interfaces
Interface configuration
Molecular configurations
Organic heterojunctions
Molecular dynamics simulation of lateral ultrasonic excitation in atomic-scale friction
期刊论文
Materials Research Express, 2020, 卷号: 7, 期号: 1
作者:
Wang, Zining
;
Duan, Zaoqi
;
Dong, Yun
;
Zhang, Yan
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2020/11/14
Atoms
Computer simulation
Friction
Molecular physics
Nanotribology
Potential energy
Quantum chemistry
Ultrasonic effects
Atomic scale frictions
Interaction potentials
Lateral excitation
Molecular dynamics simulations
Numerical computations
Superlubricity
Ultrasonic excitation
Ultrasonic vibration
A comparative study of S center dot center dot center dot pi chalcogen bonds between SF2 or SFH and C-C multiple bonds
期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2019, 卷号: 1188, 页码: 62-68
作者:
Su, He
;
Wu, Han
;
Wang, Hui
;
Wang, Hongyan
;
Ni, Yuxiang
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2020/07/01
Noncovalent chalcogen bond
First-principles
Molecular structure
Electronic properties
Energetic effects
Preclinical comparison of regorafenib and sorafenib efficacy for hepatocellular carcinoma using multimodality molecular imaging
期刊论文
CANCER LETTERS, 2019, 卷号: 453, 页码: 74-83
作者:
Liu, Shengnan
;
Du, Yang
;
Ma, He
;
Liang, Qian
;
Zhu, Xu
收藏
  |  
浏览/下载:49/0
  |  
提交时间:2019/07/12
Hepatocellular carcinoma
Regorafenib
Sorafenib
Molecular imaging
Therapeutic effects
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