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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
Polymorphic phase transition in CoCrNi medium-entropy alloy under impact loadings
期刊论文
OAI收割
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T, 2024, 卷号: 28, 页码: 3583-3596
作者:
Zhou, Wenbo
;
Cao, Fuhua
;
Yang, Zengyu
;
Li, Tong
;
Niu, Yangyang
  |  
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2024/03/11
Medium-entropy alloy
Phase transition
Shock compression
Ramp-wave
Loading path
The anticancer potential of chemical constituents of Moringa oleifera targeting CDK-2 inhibition in estrogen receptor positive breast cancer using in-silico and in vitro approches
期刊论文
OAI收割
BMC COMPLEMENTARY MEDICINE AND THERAPIES, 2023, 卷号: 23, 期号: 1, 页码: 17
作者:
Sultan, Rida
;
Ahmed, Abrar
;
Wei, Li
;
Saeed, Hamid
;
Islam, Muhammad
  |  
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2023/12/19
CDK2
ER+ Breast cancer
Molecular Docking
MM-GBSA
Molecular Dynamic Simulations
MTT assay
Moringa oleifera
Phytoconstituents
Chlorogenic acid
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
Elastic network models and molecular dynamic simulations reveal the molecular basis of allosteric regulation in ubiquitin-specific protease 7 (USP7)
期刊论文
OAI收割
COMPUTERS IN BIOLOGY AND MEDICINE, 2023, 卷号: 162, 页码: 10
作者:
Xu, Jing
;
Wang, Yiran
;
Zhang, Jiali
;
Abdelmoneim, Amr Abbas
;
Liang, Zhongjie
  |  
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2023/10/17
USP7
Allosteric regulation
Elastic network models
Molecular dynamics simulations
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
A RhoA structure with switch II flipped outward revealed the conformational dynamics of switch II region
期刊论文
OAI收割
JOURNAL OF STRUCTURAL BIOLOGY, 2023, 卷号: 215, 期号: 2, 页码: 107942
作者:
Jiang, Hao
;
Zu, Shijia
;
Lu, Yu
;
Sun, Zhongya
;
Adeerjiang, Akejiang
  |  
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2024/03/27
Small GTPases
Crystal structures of RhoA
Dynamics of switch II
Molecular dynamics simulations
Allosteric pocket
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