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The effect of carbon vacancy on the properties of ZrC by MEAM potentials
期刊论文
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2024, 卷号: 85, 页码: 7
作者:
Ouyang, Yifang
;
Xiong, Meiling
;
Lin, Kuixin
;
Zhou, Yulu
;
Chen, Hongmei
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  |  
浏览/下载:0/0
  |  
提交时间:2024/05/27
Zr-C system
MEAM potential
Physical properties
Strain Engineering of Ion-Coordinated Nanochannels in Nanocellulose
期刊论文
NANO LETTERS, 2024, 卷号: 24, 期号: 21, 页码: 6262-6268
作者:
Li, JiaHao
;
Hou, YuanZhen
;
He, ZeZhou
;
Wu HA(吴恒安)
;
Zhu, YinBo
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浏览/下载:0/0
  |  
提交时间:2024/06/14
nanocellulose
cellulose nanochannel
ion transport
strain engineering
ion cross-linking
Synthesis of a novel fused heterocyclic quaternary ammonium salt and its performance in ultra-low dosage as acidizing corrosion inhibitor
期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2024, 卷号: 1303, 页码: 13
作者:
Wang, Jing
;
Wang, Yefei
;
Yang, Zhen
;
Guo, Lei
;
Yang, Jiang
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  |  
浏览/下载:1/0
  |  
提交时间:2024/06/04
Fused heterocyclic
One-pot synthesis method
Ultra-low dosage
Synergistic inhibition
Inhibition mechanism
Molecular dynamics simulation
Machine Learning-Accelerated First-Principles Study of Atomic Configuration and Ionic Diffusion in Li
10
GeP
2
S
12
Solid Electrolyte
期刊论文
MATERIALS, 2024, 卷号: 17, 期号: 8, 页码: 14
作者:
Qi, Changlin
;
Zhou, Yuwei
;
Yuan XZ(袁晓泽)
;
Peng Q(彭庆)
;
Yang, Yong
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  |  
浏览/下载:1/0
  |  
提交时间:2024/05/27
Li10GeP2S12 solid electrolyte
first-principles calculation
Ewald-summation-based electrostatic energy
machine learning- and active-learning-based LAsou method
ab initio molecular dynamics
Real-time structural signatures of protein allostery by electrically- and mechanically-coupled sensing
期刊论文
NANO TODAY, 2024, 卷号: 55, 页码: 10
作者:
Zhang, Mingkun
;
Zheng, Zhi
;
Zhou, Jin
;
Ding, Qihan
;
Long, Mian
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  |  
浏览/下载:2/0
  |  
提交时间:2024/03/25
Nanopore sensing
Atomic force microscopy (AFM)
Protein allostery
Steered molecular dynamics (SMD)
Spheroid approximation
Insights into scratching force in axial ultrasonic vibration-assisted single grain scratching
期刊论文
JOURNAL OF MANUFACTURING PROCESSES, 2024, 卷号: 112, 页码: 150-160
作者:
Zhang, Yuqiang
;
Hu, Zhongwei
;
Chen, Yue
;
Yu, Yiqing
;
Jin, Jianfeng
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  |  
浏览/下载:4/0
  |  
提交时间:2024/04/02
Axial ultrasonic vibration
Scratching
Scratching force
Molecular dynamics
Periodic fluctuation
Effects of Chemical Short-Range Order and Lattice Distortion on Crack-Tip Behavior of Medium-Entropy Alloy by Atomistic Simulations
期刊论文
METALS, 2024, 卷号: 14, 期号: 2, 页码: 14
作者:
Zhu, Xiuju
;
Cao, Fuhua
;
Dai, Lanhong
;
Chen, Yan
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  |  
浏览/下载:5/0
  |  
提交时间:2024/04/02
chemical short-range order
lattice distortion
J-integral
localized deformation zone
crack
molecular dynamics
Diffusion and incidence of helium on tungsten surface
期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2023, 卷号: 586
作者:
Wang, Jinlong
;
Guo, Jinmin
;
He, Bingling
;
Liu, Daping
;
Pan, Xin-Dong
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2023/11/10
Tungsten
Helium
Irradiation energy
Diffusion barrier
Depth distribution
Molecular Simulation of Nitrogen Adsorption in Multidimensional Nanopores and New Insights into the Inversion of Pore Size Distribution for Gas Shale
期刊论文
ENERGIES, 2023, 卷号: 16, 期号: 24, 页码: 20
作者:
Chen Z(陈卓)
;
Lin M(林缅)
;
Jiang WB(江文滨)
;
Cao GH(曹高辉)
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  |  
浏览/下载:2/0
  |  
提交时间:2024/02/05
shale
pore size distribution
molecular simulation
low-temperature nitrogen adsorption
DeepStSNet: Reconstructing the quantum state-resolved thermochemical nonequilibrium flowfield using deep neural operator learning with scarce data
期刊论文
JOURNAL OF COMPUTATIONAL PHYSICS, 2023, 卷号: 491, 页码: 112344
作者:
Lv JQ(吕家琦)
;
Hong QZ(洪启臻)
;
Wang XY(王小永)
;
Mao, Zhiping
;
Sun QH(孙泉华)
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  |  
浏览/下载:14/0
  |  
提交时间:2023/09/26
Hypersonic
Thermochemical nonequilibrium
State-to-state approach
Deep learning
Multiphysics
Data assimilation
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