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Atomistic Insights on Surface Quality Control via Annealing Process in AlGaN Thin Film Growth
期刊论文
NANOMATERIALS, 8, 2023, 卷号: 13, 页码: 1382
作者:
Peng Q(彭庆)
;
Ma ZW(马知未)
;
Cai, Shixian
;
Zhao S(赵帅)
;
Chen, Xiaojia
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2023/06/15
AlGaN thin film
molecular dynamics simulations
laser annealing
atomistic structure
Low-Density Multilayer Graphdiyne Film with Excellent Energy Dissipation Capability under Micro-Ballistic Impact
期刊论文
ADVANCED FUNCTIONAL MATERIALS, 2023, 页码: 9
作者:
Xiao, Kailu
;
Jin, Weiyue
;
Liu, Huibiao
;
Huang, Chenguang
;
Li, Yuliang
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2023/02/20
dynamic energy dissipation capacity
failure morphologies
microprojectile impact testing
molecular dynamics simulations
multilayer graphdiyne
Effect of Substrate Surface Morphology on Thermal Spraying and Bonding Strength of Ni/Fe via Atomistic Simulation
期刊论文
Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering, 2022, 卷号: 51, 期号: 3, 页码: 881-887
作者:
Lei, Chunli
;
Dong, Jianyong
;
Yang, Shengze
;
Cao, Hui
;
Zhang, Jun
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2022/06/20
Diffusion bonding
Molecular dynamics
Morphology
Sprayed coatings
Stress concentration
Surface measurement
Atomistic simulations
Bonding strength
Defect evolution
matrix
Molecular dynamics methods
Nano thermal spraying
Rough surfaces
Smooth surface
Stresses distribution
Substrate surface morphology
Computational Auxiliary for the Progress of Sodium-Ion Solid-State Electrolytes
期刊论文
ACS NANO, 2021, 卷号: 15
作者:
Yang, Kaishuai
;
Liu, Dayong
;
Qian, Zhengfang
;
Jiang, Dongting
;
Wang, Renheng
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  |  
浏览/下载:36/0
  |  
提交时间:2022/03/21
sodium-ion solid-state electrolytes
all-solid-state sodium batteries
computational auxiliary
ab initio calculations
molecular dynamics simulations
nanoscale insight
ion transport mechanisms
sodium-ion conductor
Coupled Strengthening Effects by Lattice Distortion, Local Chemical Ordering, and Nanoprecipitates in Medium-Entropy Alloys
期刊论文
FRONTIERS IN MATERIALS, 2021, 卷号: 8, 页码: 12
作者:
Cheng WQ(程文强)
;
Yuan FP(袁福平)
;
Wu XL(武晓雷)
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2022/01/13
high-entropy alloys
lattice distortion
local chemical ordering
precipitation
strengthening mechanisms
molecular dynamics simulations
Glycan Epitopes and Potential Glycoside Antagonists of DC-SIGN Involved in COVID-19: In Silico Study
期刊论文
BIOMOLECULES, 2021, 卷号: 11, 期号: 11, 页码: 16
作者:
Gao, Meina
;
Li, Hui
;
Ye, Chenghao
;
Chen, Kaixian
;
Jiang, Hualiang
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  |  
浏览/下载:59/0
  |  
提交时间:2022/01/04
DC-SIGN
glycan epitopes
carbohydrate recognition mechanism
natural glycoside antagonists
molecular dynamics simulations
COVID-19
Exploring the Regulatory Function of the N-terminal Domain of SARS-CoV-2 Spike Protein through Molecular Dynamics Simulation
期刊论文
ADVANCED THEORY AND SIMULATIONS, 2021, 页码: 13
作者:
Li, Yao
;
Wang, Tong
;
Zhang, Juanrong
;
Shao, Bin
;
Gong, Haipeng
收藏
  |  
浏览/下载:50/0
  |  
提交时间:2021/11/04
"wedge" effect
molecular dynamics simulations
N-terminal domain
SARS-CoV-2
Spike protein
Deformation induced hcp nano-lamella and its size effect on the strengthening in a CoCrNi medium-entropy alloy
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2021, 卷号: 82, 页码: 122-134
作者:
Ma Y(马彦)
;
Yang MX(杨沐鑫)
;
Yuan FP(袁福平)
;
Wu XL(武晓雷)
收藏
  |  
浏览/下载:70/0
  |  
提交时间:2021/08/03
Strengthening mechanisms
Phase transformation
Twinning
Medium entropy alloys
Molecular dynamics simulations
Mechanism exploration of the enhancement of thermal energy storage in molten salt nanofluid
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2021, 卷号: 23, 期号: 23, 页码: 13181-13189
作者:
Li, Zhao
;
Cui, Liu
;
Li, Baorang
;
Du, Xiaoze
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2021/10/14
Fused salts
Heat storage
Molecular dynamics
Molecular physics
Nanoparticles
Potential energy
Specific heat
Compressed layers
Fluid potentials
Molecular dynamics simulations
Molten salt
Nanofluids
Nanoparticle loadings
Properties and materials
System configurations
Effects of pressure on the generalized stacking fault energy and twinning propensity of face-centered cubic metals
期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2021, 卷号: 866, 页码: 12
作者:
Yan, J. X.
;
Zhang, Z. J.
;
Yu, H.
;
Li, K. Q.
;
Hu, Q. M.
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  |  
浏览/下载:30/0
  |  
提交时间:2021/10/15
Molecular dynamics simulations
First-principles calculations
High-pressure
High entropy alloy
Twinning
Phase transitions
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