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兰州理工大学 [10]
过程工程研究所 [4]
力学研究所 [3]
上海药物研究所 [3]
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期刊论文 [24]
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2021 [24]
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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)
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  |  
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
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  |  
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)
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  |  
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
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  |  
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
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
Multiscale Model for Crack Propagation of γ/γ Interface in γ-TiAl Alloy Based on Cohesive Zone Model
期刊论文
Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering, 2021, 卷号: 50, 期号: 5, 页码: 1617-1625
作者:
Li, Jianhua
;
Zhang, Cheng
;
Feng, Ruicheng
;
Wang, Junjun
;
Wang, Maomao
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2022/02/17
Aluminum alloys
Binary alloys
Crack propagation
Cracks
Fracture toughness
Molecular dynamics
Stress intensity factors
Titanium alloys
Constitutive parameters
Crack propagation behavior
Finite element simulations
Force-displacement curves
Force-displacement relationships
Gamma-titanium aluminide
Gamma/gamma interfaces
Polycrystalline models
Acoustic Emission Response to Brittle Cutting of 6H-SiC Using Molecular Dynamics
期刊论文
Rare Metal Materials and Engineering, 2021, 卷号: 50, 期号: 5, 页码: 1602-1610
作者:
Ruicheng Feng
;
Yongnian Qi
;
Haiyan Li
;
Wenyuan Song
;
Lihe Fan
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2021/09/03
Crack propagation
Cracks
Deformation
Lattice vibrations
Molecular dynamics
Silicon
Silicon carbide
Silicon compounds
Vibration analysis
Brittle deformation
Cutting depth
Dislocation propagation
Energy accumulation
Frequency energy
Higher frequencies
Microdeformations
Molecular dynamics simulations
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