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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
收藏
  |  
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
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:0/0
  |  
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
Molecular insights into the dispersibility of asphaltene and crude oil rheological properties under the effect of multi-alkylated aromatic amides
期刊论文
CHEMICAL ENGINEERING SCIENCE, 2024, 卷号: 285, 页码: 12
作者:
Zhu, Bojin
;
Li, Zhen
;
Han, Tiankun
;
Yan, Youguo
;
Li, Jiawei
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  |  
浏览/下载:4/0
  |  
提交时间:2024/04/07
Asphaltene dispersibility
Crude oil viscosity
Molecular dynamics simulation
Density function theory calculation
Exponential relaxation of the energy and desorption dynamics of atoms colliding with a surface
期刊论文
PHYSICA SCRIPTA, 2024, 卷号: 99, 期号: 3, 页码: 10
作者:
Ceng DD(曾丹丹)
;
Jiang JZ(蒋建政)
;
Liu C(刘崇)
;
Fan J(樊菁)
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  |  
浏览/下载:2/0
  |  
提交时间:2024/03/11
atom-surface interaction
energy relaxation
residence time
molecular dynamics
Effect of Strain Rate, Temperature, Vacancy, and Microcracks on Mechanical Properties of 8-16-4 Graphyne
期刊论文
NANOMATERIALS, 2024, 卷号: 14, 期号: 6, 页码: 15
作者:
Peng, Qing
;
Huang, Zeyu
;
Chen, Gen
;
Zhang, Yuqiang
;
Zhang, Xiaofan
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  |  
浏览/下载:37/0
  |  
提交时间:2024/05/14
8-16-4 graphyne
mechanical properties
molecular dynamics
vacancy defect
microcrack
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:3/0
  |  
提交时间:2024/04/02
Axial ultrasonic vibration
Scratching
Scratching force
Molecular dynamics
Periodic fluctuation
The Effect of Impact Load on the Atomistic Scale Fracture Behavior of Nanocrystalline bcc Iron
期刊论文
NANOMATERIALS, 2024, 卷号: 14, 期号: 4, 页码: 11
作者:
Zhao, Zhifu
;
Wang, Zhen
;
Bie, Yehui
;
Liu, Xiaoming
;
Wei, Yueguang
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  |  
浏览/下载:1/0
  |  
提交时间:2024/04/02
molecular dynamics simulation
nanocrystalline iron
impact load
fracture resistance
fracture ductility
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:3/0
  |  
提交时间:2024/04/02
chemical short-range order
lattice distortion
J-integral
localized deformation zone
crack
molecular dynamics
Atomistic insights into the influence of hydrogen on crack propagation in tungsten
期刊论文
FUSION ENGINEERING AND DESIGN, 2023, 卷号: 197, 页码: 11
作者:
Shi, Jun
;
Li, Bingchen
;
Li, Lei
;
Liu, Yifan
;
Fan, Xinyue
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2023/12/11
Molecular dynamics simulation
Hydrogen
Crack propagation
Plasma-facing materials
Tungsten
Element-dependent evolution of chemical short-range ordering tendency of NiCoFeCrMn under irradiation
期刊论文
INTERNATIONAL JOURNAL OF PLASTICITY, 2023, 卷号: 171, 页码: 15
作者:
Zhou, Yundi
;
Shi, Tan
;
Li, Jing
;
Wu, Lu
;
Peng, Qing
收藏
  |  
浏览/下载:111/0
  |  
提交时间:2024/01/01
High-entropy alloys
Short-range order
Molecular dynamics
Kinetic Monte Carlo
Irradiation damage
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