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Microstructural evolution and mechanical behaviors of rock salt in energy storage: A molecular dynamics approach
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF ROCK MECHANICS AND MINING SCIENCES, 2024, 卷号: 182, 页码: 15
作者:
Zheng, Zhuyan
;
Wang, Guibin
;
Hu, Xinyi
;
Niu, Chengcheng
;
Ma, Hongling
  |  
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2025/06/27
Rock salt
Dislocation
Molecular dynamics
Lattice structure
Intergranular cracking
Grain refinement
Effects of Chemical Short-Range Order and Lattice Distortion on Crack-Tip Behavior of Medium-Entropy Alloy by Atomistic Simulations
期刊论文
OAI收割
METALS, 2024, 卷号: 14, 期号: 2, 页码: 14
作者:
Zhu, Xiuju
;
Cao, Fuhua
;
Dai, Lanhong
;
Chen, Yan
;
Dai LH(戴兰宏)
  |  
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2024/04/02
chemical short-range order
lattice distortion
J-integral
localized deformation zone
crack
molecular dynamics
Dual Activation of Molecular Oxygen and Surface Lattice Oxygen in Single Atom Cu-1/TiO2 Catalyst for CO Oxidation
期刊论文
OAI收割
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2022, 卷号: 61, 期号: 48, 页码: e202212273
作者:
Fang, YR
;
Zhang, Q
;
Zhang, H
;
Li, XM
;
Chen, W
  |  
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2023/11/09
Activated Surface Lattice Oxygen
Cu
TiO2 Catalyst
Dual Activation
Molecular Oxygen
Single Atom Catalyst
Coupled Strengthening Effects by Lattice Distortion, Local Chemical Ordering, and Nanoprecipitates in Medium-Entropy Alloys
期刊论文
OAI收割
FRONTIERS IN MATERIALS, 2021, 卷号: 8, 页码: 12
作者:
Cheng, Wenqiang
;
Yuan, Fuping
;
Wu, Xiaolei
;
Yuan FP(袁福平)
;
Wu XL(武晓雷)
  |  
收藏
  |  
浏览/下载:82/0
  |  
提交时间:2022/01/13
high-entropy alloys
lattice distortion
local chemical ordering
precipitation
strengthening mechanisms
molecular dynamics simulations
可移动型锶原子光钟的系统研制与钟跃迁谱线探测
期刊论文
OAI收割
光学学报, 2020, 卷号: 40, 期号: 9
作者:
郭峰
;
孔德欢
;
张强
;
王叶兵
;
常宏
  |  
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2020/08/31
atom and molecular physics
transportable ~(87)Sr optical clock
miniaturized optical clock
onedimensional optical lattice
spectroscopy detection of clock transition
原子与分子物理学
可移动~(87)Sr光钟
小型化光钟
一维光晶格
钟跃迁谱线探测
Very large Dzyaloshinskii-Moriya interaction in two-dimensional Janus manganese dichalcogenides and its application to realize skyrmion states
期刊论文
OAI收割
PHYSICAL REVIEW B, 2020, 卷号: 101, 期号: 18
作者:
Liang, Jinghua
;
Wang, Weiwei
;
Du, Haifeng
;
Hall, Ali
;
Garcia, Karin
  |  
收藏
  |  
浏览/下载:96/0
  |  
提交时间:2020/12/16
INITIO MOLECULAR-DYNAMICS
TOTAL-ENERGY CALCULATIONS
ELECTRONIC-STRUCTURE
FERROMAGNETISM
TRANSITION
SURFACES
CRYSTAL
LATTICE
Nucleation of dislocations and twins in fcc nanocrystals: Dynamics of structural transformations
期刊论文
OAI收割
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2019, 卷号: 35, 期号: 1, 页码: 201-206
作者:
Korchuganov, Aleksandr, V
;
Tyumentsev, Aleksandr N.
;
Zolnikov, Konstantin P.
;
Litoychenko, Igor Yu
;
Kryzhevich, Dmitrij S.
  |  
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2021/02/02
Lattice defects
Dislocation
Nanotwin
Atomic model
Molecular dynamics simulations
Nucleation of dislocations and twins in fcc nanocrystals: Dynamics of structural transformations
期刊论文
OAI收割
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2019, 卷号: 35, 期号: 1, 页码: 201-206
作者:
Korchuganov, Aleksandr, V
;
Tyumentsev, Aleksandr N.
;
Zolnikov, Konstantin P.
;
Litoychenko, Igor Yu
;
Kryzhevich, Dmitrij S.
  |  
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2021/02/02
Lattice defects
Dislocation
Nanotwin
Atomic model
Molecular dynamics simulations
Extended particle swarm optimisation method for folding protein on triangular lattice
期刊论文
OAI收割
IET SYSTEMS BIOLOGY, 2016, 卷号: 10, 期号: 1, 页码: 30-33
作者:
Guo, Yuzhen
;
Wu, Zikai
;
Wang, Ying
;
Wang, Yong
  |  
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2018/07/30
proteins
molecular biophysics
molecular configurations
particle swarm optimisation
bioinformatics
extended particle swarm optimisation method
triangular lattice
protein structure prediction problem
two-dimensional hydrophobic-polar model
noncompact conformation
amino acid sequence
single point adjustment strategy
protein folding
Remarkable promotion effect of trace sulfation on OMS-2 nanorod catalysts for the catalytic combustion of ethanol
期刊论文
OAI收割
JOURNAL OF ENVIRONMENTAL SCIENCES, 2015, 卷号: 35, 页码: 69-75
作者:
Zhang, Jie
;
Zhang, Changbin
;
He, Hong
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2016/03/09
Manganese oxide
Octahedral molecular sieves (OMS-2)
Catalytic oxidation
VOCs
Lattice oxygen