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Temperature gradient enhances the solidification process and properties of a CoCrFeNi high-entropy alloy: Atomic insights from molecular dynamics simulations
期刊论文
OAI收割
COMPUTATIONAL MATERIALS SCIENCE, 2024, 卷号: 231, 页码: 12
作者:
Xie, Lu
;
Wu, Guangda
;
Liaw, Peter K.
;
Wang, Wenrui
;
Li, Dongyue
  |  
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2023/12/11
High-entropy alloy
Temperature gradient
Stress distribution
Cooling rate
Excellent impact resistance of multilayer metallic glass films subjected to micro-ballistic impact by overcoming dynamic size effects
期刊论文
OAI收割
EXTREME MECHANICS LETTERS, 2023, 卷号: 63, 页码: 8
作者:
Cheng, Yujie
;
Dong, Jinlei
;
Shen, Yidi
;
Li, Fucheng
;
An, Qi
  |  
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2023/10/30
Multilayered metallic glass
Impact resistance
Size effect
Micro-ballistic impact
Molecular dynamics simulation
Mechanism of an organic-inorganic composite coating with anticorrosive and versatile superhydrophobic properties: A combined electrochemical and molecular dynamics exploration
期刊论文
OAI收割
PROGRESS IN ORGANIC COATINGS, 2023, 卷号: 182, 页码: 16
作者:
Zhao, Qingkun
;
Zhao, Xia
;
Jin, Zuquan
;
Wang, Pan
;
Fan, Liang
  |  
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2023/12/13
Anti -corrosion
Environment -friendly
Superhydrophobic coating
Molecular dynamics simulation
AIMD-Chig: Exploring the conformational space of a 166-atom protein Chignolin with ab initio molecular dynamics
期刊论文
OAI收割
SCIENTIFIC DATA, 2023, 卷号: 10, 期号: 1, 页码: 12
作者:
Wang, Tong
;
He, Xinheng
;
Li, Mingyu
;
Shao, Bin
;
Liu, Tie-Yan
  |  
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2023/10/17
Diffusion coefficient and the volume swelling of CO2/light oil systems: Insights from dynamic volume analysis and molecular dynamics simulation
期刊论文
OAI收割
JOURNAL OF MOLECULAR LIQUIDS, 2023, 卷号: 382, 页码: 121943
作者:
Luo, Yongcheng
;
Xiao, Hanmin
;
Liu, Xiangui
;
Zheng TY(郑太毅)
;
Wu, Zhenkai
  |  
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2023/07/17
CO2-light oil system
Diffusion coefficient
Swelling factor
Molecular dynamics simulation
Discovery of seven-membered ring berberine analogues as highly potent and specific hCES2A inhibitors
期刊论文
OAI收割
CHEMICO-BIOLOGICAL INTERACTIONS, 2023, 卷号: 378, 页码: 11
作者:
Yang, Yun
;
Xiong, Yuan
;
Zhu, Guanghao
;
Sun, Mengru
;
Zou, Kun
  |  
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2023/10/17
Human carboxylesterase 2 (hCES2A)
Berberine analogues
Structure -activity relationships (SAR)
Inhibition kinetics
Selectivity
Deformation and failure processes of Na-montmorillonite under uniaxial compressive strain condition via molecular dynamic method
期刊论文
OAI收割
MATERIALS TODAY COMMUNICATIONS, 2023, 卷号: 35, 页码: 106132
作者:
Li, Dongbo
;
Li, Guangzhou
;
Bai, Zhentao
;
Han ZF(韩宗芳)
;
Lu, Wei
  |  
收藏
  |  
浏览/下载:70/0
  |  
提交时间:2023/09/05
Montmorillonite
Molecular dynamic
Water content
Mechanical anisotropy
Compressive mechanical properties
Effects of oxidizers on the ignition and combustion characteristics of aluminum nanoparticles
期刊论文
OAI收割
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 223, 页码: 112116
作者:
Zhou, Yintao
;
Shi, Baolu
;
Chu, Qingzhao
;
Liao LJ(廖丽涓)
  |  
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2023/04/20
Aluminum nanoparticles
Oxidizer atmospheres
Ignition and combustion
Energy release
Reactive molecular dynamic simulation
Study of Viscoelastic Properties of Graphene Foams Using Dynamic Mechanical Analysis and Coarse Grained Molecular Dynamics Simulations
期刊论文
OAI收割
MATERIALS, 2023, 卷号: 16, 期号: 6, 页码: 2457
作者:
Liu, Shenggui
;
Lyu, Mindong
;
Yang, Cheng
;
Jiang MQ(蒋敏强)
;
Wang C(王超)
  |  
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2023/04/20
graphene foam materials
viscoelastic properties
dynamic mechanical analysis
microstructure
coarse grained molecular dynamics simulation
Scaling Law for Impact Resistance of Amorphous Alloys Connecting Atomistic Molecular Dynamics with Macroscale Experiments
期刊论文
OAI收割
ACS APPLIED MATERIALS & INTERFACES, 2023, 页码: 10.1021/acsami.2c19719
作者:
Cheng YJ(程玉洁)
;
Dong, Jinlei
;
Li, Fucheng
;
Shen, Yidi
;
An, Qi
  |  
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2023/06/15
scaling law
amorphous alloy
micro-ballistic impact
dimensional analysis
molecular dynamics simulation