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金属研究所 [4]
兰州理工大学 [2]
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期刊论文 [14]
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2021 [14]
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Implications for the Nb aggregation inherited from melt to gamma phase of U-Nb alloy
期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2021, 卷号: 885, 页码: 13
作者:
Shi, Yongpeng
;
Zhu, Heyu
;
Wang, Jiantao
;
Ma, Hui
;
Li, Ronghan
收藏
  |  
浏览/下载:66/0
  |  
提交时间:2021/11/22
U-Nb alloy
Nb aggregation
Uniform distribution
Mechanical property
Hydrogen diffusion behavior
Vibrational Energy Transfer in CO+N-2 Collisions: A Database for V-V and V-T/R Quantum-Classical Rate Coefficients
期刊论文
MOLECULES, 2021, 卷号: 26, 期号: 23, 页码: 27
作者:
Hong, Qizhen
;
Bartolomei, Massimiliano
;
Coletti, Cecilia
;
Lombardi, Andrea
;
Sun, Quanhua
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2022/03/05
vibrational energy transfer
inelastic scattering
potential energy surface
rate coefficients database
quantum-classical nuclear dynamics
quasi-classical trajectories
Ab initio study of dynamical properties of U-Nb alloy melt*
期刊论文
CHINESE PHYSICS B, 2021, 卷号: 30, 期号: 12, 页码: 8
作者:
Shi, Yong-Peng
;
Liu, Ming-Feng
;
Chen, Yun
;
Mo, Wen-Lin
;
Li, Dian-Zhong
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2022/07/01
U-Nb alloy melt
dynamical properties
ab initio study
Inhibiting effect of heterogeneous cations aggregation enhanced by oxygen deficiency on glass formation of BaTi2O5 melts
期刊论文
JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 2021, 卷号: 104, 期号: 12, 页码: 6207-6226
作者:
Ge, Xuan
;
Xu, Jun
;
Hu, Qiaodan
;
Qiu, Ren
;
Lai, Pingsheng
收藏
  |  
浏览/下载:45/0
  |  
提交时间:2022/03/29
Computational Auxiliary for the Progress of Sodium-Ion Solid-State Electrolytes
期刊论文
ACS NANO, 2021, 卷号: 15
作者:
Yang, Kaishuai
;
Liu, Dayong
;
Qian, Zhengfang
;
Jiang, Dongting
;
Wang, Renheng
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  |  
浏览/下载:35/0
  |  
提交时间:2022/03/21
sodium-ion solid-state electrolytes
all-solid-state sodium batteries
computational auxiliary
ab initio calculations
molecular dynamics simulations
nanoscale insight
ion transport mechanisms
sodium-ion conductor
Molecular dynamics simulation of the behavior of typical radiation defects under stress gradient field in tungsten
期刊论文
JOURNAL OF APPLIED PHYSICS, 2021, 卷号: 130, 期号: 12, 页码: 9
作者:
Fang, Jingzhong
;
Liu, Lixia
;
Gao, Ning
;
Hu, Wangyu
;
Deng, Huiqiu
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  |  
浏览/下载:12/0
  |  
提交时间:2022/04/11
The study of the optical phonon frequency of 3C-SiC by molecular dynamics simulations with deep neural network potential
期刊论文
JOURNAL OF APPLIED PHYSICS, 2021, 卷号: 129, 期号: 24, 页码: 11
作者:
Chen, Wei
;
Li, Liang-Sheng
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  |  
浏览/下载:10/0
  |  
提交时间:2021/08/31
Barrierless HONO and HOS(O)2-NO2Formation via NH3-Promoted Oxidation of SO2by NO2
期刊论文
Journal of Physical Chemistry A, 2021, 卷号: 125, 期号: 12, 页码: 2666-2672
作者:
Wang, Guoying
;
Ma, Shangrong
;
Niu, Xiuli
;
Chen, Xuefu
;
Liu, Fengshuo
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  |  
浏览/下载:11/0
  |  
提交时间:2022/02/17
Air quality
Ammonia
Atmospheric chemistry
Molecular dynamics
Molecules
Nitrogen oxides
Reaction kinetics
Sulfur dioxide
Troposphere
Water pollution
Ab initio molecular dynamics simulation
Air quality models
Correlation analysis
Field observations
New mechanisms
Nitrogen dioxides
Observational study
Weak interactions
Localized Nb clusters in U-Nb liquid alloys: An ab initio molecular dynamics study
期刊论文
NUCLEAR MATERIALS AND ENERGY, 2021, 卷号: 26, 页码: 8
作者:
Shi, Yongpeng
;
Liu, Mingfeng
;
Wang, Jiantao
;
Ma, Hui
;
Li, Ronghan
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2021/10/15
U-Nb liquid alloys at high temperatures
Localized Nb clusters
Ab initio molecular dynamics
Localized Nb clusters in U-Nb liquid alloys: An ab initio molecular dynamics study
期刊论文
NUCLEAR MATERIALS AND ENERGY, 2021, 卷号: 26, 页码: 8
作者:
Shi, Yongpeng
;
Liu, Mingfeng
;
Wang, Jiantao
;
Ma, Hui
;
Li, Ronghan
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2021/10/15
U-Nb liquid alloys at high temperatures
Localized Nb clusters
Ab initio molecular dynamics
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