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科研机构
兰州理工大学 [26]
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期刊论文 [24]
会议论文 [2]
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2022 [2]
2020 [3]
2019 [3]
2017 [4]
2016 [2]
2015 [2]
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专题:兰州理工大学
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Effect of alloying elements on the interface of fcc-Fe/Ni3Al by first principle calculations
期刊论文
Computational Materials Science, 2022, 卷号: 214
作者:
Guo, Xin
;
Zhou, Jitian
;
Zhang, Xingxing
;
Yang, Ping
;
Ren, Junqiang
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2022/09/22
Alloying
Atoms
Austenite
Calculations
Chemical bonds
Density functional theory
Electrons
Density diagram
Differential charge
First principle calculations
First principles
Heat-resistant steel
Interface energy
Interface property
Orbital electrons
Orbitals
Segregation
Adsorption behavior of Na atom on T-carbon (111) surface by first principles calculations
期刊论文
INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2022
作者:
Guo, Xin
;
Zhou, Jitian
;
Zhang, Yongxiang
;
Zhang, Xingxing
;
Ren, Junqiang
收藏
  |  
浏览/下载:43/0
  |  
提交时间:2022/09/22
T-carbon
Na adsorption
electronic properties
optical properties
first principles
Effect of Co-Doping on the Stability of γ'-Ni3Al: A First-Principles Study
期刊论文
Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering, 2020, 卷号: 49, 期号: 8, 页码: 2746-2753
作者:
Li, Yamin
;
Chen, Yinping
;
Liu, Hongjun
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2020/12/18
Atoms
Charge transfer
Chemical bonds
Density functional theory
Electronic density of states
Electrons
Fermi level
Heat treatment
Nickel compounds
Stability
Bonding characteristics
Bonding electrons
Density difference
First-principles density functional theory
First-principles study
Formation enthalpy
Orbital hybridization
Plane-wave pseudopotential method
Effect of Co-Doping on the Stability of gamma '-Ni3Al: A First-Principles Study
期刊论文
RARE METAL MATERIALS AND ENGINEERING, 2020, 卷号: 49, 期号: 8, 页码: 2746-2753
作者:
Li Yamin
;
Chen Yinping
;
Liu Hongjun
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2022/03/01
first-principles
gamma ' phase
electronic structure
stability
Influence of Temperature on Mechanical Properties of Nanocrystalline 316L Stainless Steel Investigated via Molecular Dynamics Simulations
期刊论文
Materials, 2020, 卷号: 12, 期号: 13, 页码: 2803
作者:
Husain, Abdelrahim
;
Peiqing La(喇培清)
;
Yuehong Zheng(郑月红)
;
Jie Sheng(盛捷)
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2021/02/10
mechanical properties
316L austenitic stainless steels
grain size
temperature effect
molecular dynamics
embedded atom method
C/N/O centred metal clusters: super valence bonding and magic structure with 26 valence electrons
期刊论文
MOLECULAR PHYSICS, 2019, 卷号: 118, 期号: 5
作者:
Tang, Jianling
;
Zhang, Cairong
;
Chen, Hongshan
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/11/15
Nonmetal doped metal clusters
extended Jellium model
super valence bond
magic number cluster
superatomic anion
Barrier mechanism of nitrogen-doped graphene against atomic oxygen irradiation
期刊论文
APPLIED SURFACE SCIENCE, 2019, 卷号: 479, 页码: 669-678
作者:
Ren, Siming
;
Cui, Mingjun
;
Li, Qiang
;
Li, Wensheng
;
Pu, Jibin
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2019/11/15
Graphene
Nitrogen-doping
Cu foil
Atomic oxygen
Oxidation resistance
Effect of Cu additions on mechanical properties of Ni3Sn4-based intermetallic compounds: First-principles calculations and nano-indentation measurements
期刊论文
VACUUM, 2019, 卷号: 164, 页码: 7-14
作者:
Bi, Xiaoyang
;
Hu, Xiaowu
;
Jiang, Xiongxin
;
Li, Qinglin
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2019/11/15
Intermetallic compounds
Nano-indentation
First-principles calculations
Mechanical properties
Effects of element doping on electronic structures and optical properties in cubic boron nitride from first-principles
期刊论文
MODERN PHYSICS LETTERS B, 2017, 卷号: 31, 期号: 16
作者:
Wei, Yin
;
Wang, Hongjie
;
Lu, Xuefeng
;
Fan, Xingyu
;
Wei, Heng
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2019/11/15
Cubic boron nitride
first-principles
electronic structure
optical properties
A First Principles Study of H-2 Adsorption on LaNiO3(001) Surfaces
期刊论文
MATERIALS, 2017, 卷号: 10, 期号: 1
作者:
Pan, Changchang
;
Chen, Yuhong
;
Wu, Na
;
Zhang, Meiling
;
Yuan, Lihua
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/11/15
density functional theory
LaNiO3(001)
surface adsorption
conductivity
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