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Capture efficiencies of point defects by 1/2 (111) edge dislocations in tungsten using atomistic simulations
期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2024, 卷号: 597, 页码: 11
作者:
Fan, Xinyue
;
Jin, Shuo
;
Hao, Jiannan
;
Sun, Lu
;
Li, Xiao-Chun
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2024/06/27
Molecular dynamics
Kinetic Monte Carlo
Capture efficiency
Dislocation
Tungsten
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
收藏
  |  
浏览/下载:4/0
  |  
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
收藏
  |  
浏览/下载:4/0
  |  
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
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2024/06/04
Fused heterocyclic
One-pot synthesis method
Ultra-low dosage
Synergistic inhibition
Inhibition mechanism
Molecular dynamics simulation
In sight the behavior of natural
Bletilla striata
polysaccharide hydrocolloids by molecular dynamics method
期刊论文
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 2024, 卷号: 266, 页码: 11
作者:
Liu, Ju-Zhao
;
Wang, Lu
;
Jiang, Li-Jie
;
Lyu, Hong-Chang
;
Yuan, Qiang
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2024/07/03
Bletilla striata polysaccharide
Hydrocolloids
1,4-beta-d-mannose,1,4-alpha/beta-D-glucose
Molecular dynamics simulation
Application of Epithelial Growth Factor Receptor-Targeted Magnetic Resonance Imaging and Near-Infrared II Dual-Modal Probe in Lung Cancer Diagnosis and Surgical Resection
期刊论文
MOLECULAR PHARMACEUTICS, 2024, 页码: 1543-8392
作者:
Chao Li
;
Changjian Li
;
jian Zhou
;
Yueqi Wang
;
Hainan Wu,
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2024/06/11
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
收藏
  |  
浏览/下载:4/0
  |  
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
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2024/03/25
Nanopore sensing
Atomic force microscopy (AFM)
Protein allostery
Steered molecular dynamics (SMD)
Spheroid approximation
Detection of uridine diphosphate glucuronosyltransferase 1A1 for pancreatic cancer imaging and treatment
via
a "turn-on" fluorescent probe
期刊论文
ANALYST, 2024, 页码: 10
作者:
Wang, Lingxiao
;
Wang, Lingyun
;
Sun, Xiao
;
Fu, Lili
;
Wang, Xinlei
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2024/05/07
Long-Emission-Wavelength Humic-Like Component (L-HULIS) as a Secondary Source Tracer of Brown Carbon in the Atmosphere
期刊论文
JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES, 2024, 卷号: 129, 期号: 5, 页码: 18
作者:
Tang, Jiao
;
Xu, Buqing
;
Zhao, Shizhen
;
Li, Jun
;
Tian, Lele
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2024/05/07
aerosols
secondary brown carbon
fluorescence spectroscopy
secondary organic aerosol tracers
non-fossil secondary source
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