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金属研究所 [7]
上海大学 [7]
半导体研究所 [6]
清华大学 [5]
西安交通大学 [5]
兰州大学 [5]
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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:56/0
  |  
提交时间:2024/01/01
High-entropy alloys
Short-range order
Molecular dynamics
Kinetic Monte Carlo
Irradiation damage
Long-term behavior of vacancy defects in Pu-Ga alloy: Effects of temperature and Ga concentration
期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2021, 卷号: 1204, 页码: 10
作者:
Xu, Lei
;
Wang, Li-Fang
;
Chen, Xin
;
Gao, Xing-Yu
;
Shang, Hong-Hui
收藏
  |  
浏览/下载:50/0
  |  
提交时间:2021/12/01
Vacancy defects
Dynamical evolution
Pu-Ga alloy
Actinide metals
Atomistic kinetic Monte Carlo
Molecular dynamics
Stepped morphology on vicinal 3C- and 4H-SiC (0001) faces: A kinetic Monte Carlo study
期刊论文
Surface Science, 2019, 卷号: 681, 页码: 18-23
作者:
Chen, Xuejiang
;
Li, Yuan
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  |  
浏览/下载:2/0
  |  
提交时间:2019/11/19
Crystal morphologies
Formation mechanism
Inter-atomic bonding
Interlayer transport
Kinetic Monte Carlo
Kinetic Monte Carlo model
Periodic boundary conditions
Three-dimensional lattices
Sub-nanosecond pulse programming and device design strategy for analog resistive switching in HfOx-based resistive random access memory
期刊论文
APPLIED PHYSICS LETTERS, 2019, 卷号: 114
作者:
Hang, Cheng-Zhou
;
Wang, Chen
;
Gao, Bin
;
Chen, Huan
;
Xu, Ming-Hong
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  |  
浏览/下载:16/0
  |  
提交时间:2019/12/02
Electric breakdown
Energy utilization
Hafnium compounds
Integrated circuit design
Intelligent systems
Monte Carlo methods
RRAM, Kinetic monte carlo simulation
Microscopic distribution
Neuromorphic computing
Resistive random access memory
Resistive random access memory (rram)
Resistive switching
Sub-nanosecond pulse
Thermal conductance, Switching
Carbon chain growth mechanism of higher alcohols synthesis from syngas on CoCu: A combined DFT and kMC study
期刊论文
Surface Science, 2019, 页码: 121513
作者:
Yingzhe Yu
;
Jie Zhang
;
Xuanyu Sun
;
Minhua Zhang
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  |  
浏览/下载:10/0
  |  
提交时间:2019/11/21
Syngas
Higher alcohols synthesis
CoCu(100)
Kinetic Monte Carlo
Density functional theory
Structures and stability of adsorbed methanol on TiO2 (110) surface studied by ab initio thermodynamics and kinetic Monte Carlo simulation
期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2018, 卷号: 137, 期号: 10, 页码: 8
作者:
Sun, Keju
;
Li, Wei-Xue
;
Su, Hai-Yan
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  |  
浏览/下载:20/0
  |  
提交时间:2019/06/20
Methanol adsorption
TiO2 (110) surface
Ab initio thermodynamics
Kinetic Monte Carlo
Temperature-programmed desorption simulation
Revealing the Janus Character of the Coke Precursor in the Propane Direct Dehydrogenation on Pt Catalysts from a kMC Simulation
期刊论文
ACS CATALYSIS, 2018, 卷号: 8, 期号: 5, 页码: 4694-4704
作者:
Lian, Z
;
Ali, S
;
Liu, TF
;
Si, CW
;
Li, B
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  |  
浏览/下载:18/0
  |  
提交时间:2018/12/25
propane dehydrogenation
kinetic Monte Carlo
density functional theory
platinum catalyst
coke
Revealing the Janus Character of the Coke Precursor in the Propane Direct Dehydrogenation on Pt Catalysts from a kMC Simulation
期刊论文
ACS CATALYSIS, 2018, 卷号: 8, 期号: 5, 页码: 4694-4704
作者:
Lian, Zan
;
Ali, Sajjad
;
Liu, TianFu
;
Si, Chaowei
;
Li, Bo
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  |  
浏览/下载:0/0
  |  
提交时间:2021/02/02
propane dehydrogenation
kinetic Monte Carlo
density functional theory
platinum catalyst
coke
Visualization of Dust Evolution Simulation Model in Campus Environment
会议论文
2018 IEEE 3RD INTERNATIONAL CONFERENCE ON IMAGE, VISION AND COMPUTING (ICIVC), 2018-01-01
作者:
Hu Xiaomei[1]
;
Li Minghang[2]
;
Wang Chuan[3]
;
Yang Xu[4]
;
Wei Chenjun[5]
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/04/22
dust particle
kinetic monte carlo
vegetation
visualization
Understanding the anisotropic strain effects on lithium diffusion in graphite anodes: A first-principles study
期刊论文
PHYSICA B-CONDENSED MATTER, 2018, 卷号: 539, 页码: 66-71
作者:
Ji, Xiang[1]
;
Wang, Yang[2]
;
Zhang, Junqian[3]
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/04/22
Lithium-ion battery
First-principles calculation
Kinetic Monte Carlo simulation
Graphite
Anisotropic strain effect
Diffusion
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