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金属研究所 [7]
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厦门大学 [2]
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期刊论文 [30]
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First-principles study on the atomic structure of two-dimensional molybdenum boride
期刊论文
Materials Research Express, 2022, 卷号: 9, 期号: 3
作者:
Ma,Linlin
;
Cheng,Chao
;
Zhang,Xin
;
Wang,Shaoqing
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2022/07/01
2D molybdenum boride
binding energy
chemical bonding
atomic structure stability
low-dimensional material
Integrating data mining and machine learning to discover high-strength ductile titanium alloys
期刊论文
ACTA MATERIALIA, 2021, 卷号: 202, 页码: 211-221
作者:
Zou, Chengxiong
;
Li, Jinshan
;
Wang, William Yi
;
Zhang, Ying
;
Lin, Deye
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  |  
浏览/下载:45/0
  |  
提交时间:2021/03/15
High-throughput calculation
Machine learning
Electron work function
Similar atomic environment
Bonding charge density
Influence of temperature on mechanical properties of nanocrystalline 316l stainless steel investigated via molecular dynamics simulations
期刊论文
Materials, 2020, 卷号: 13, 期号: 12, 页码: 1-16
作者:
Husain, Abdelrahim
;
La, Peiqing
;
Hongzheng, Yue
;
Jie, Sheng
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  |  
浏览/下载:2/0
  |  
提交时间:2020/12/18
Deformation
Grain boundary sliding
Grain size and shape
Molecular dynamics
Nanocrystals
Twinning
Yield stress316 L stainless steel
Deformation twinning
Dominant deformation mechanism
Extended dislocations
Increasing temperatures
Inter-atomic bonding
Inter-atomic distances
Molecular dynamics simulations
Atomic bonding and electronic stability of the binary sigma phase
期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 811, 页码: 8
作者:
Liu, Wei
;
Lu, Xiao-Gang
;
Hu, Qing-Miao
;
Wang, Hao
;
Liu, Yi
收藏
  |  
浏览/下载:48/0
  |  
提交时间:2021/02/02
sigma phase
atomic bonding
electronic stability
DOS
ELF
first-principles calculations
Strong metal-metal interaction and bonding nature in metal/oxide interfaces with large mismatches
期刊论文
ACTA MATERIALIA, 2019, 卷号: 179, 页码: 237-246
作者:
Li, Hongping
;
Saito, Mitsuhiro
;
Chen, Chunlin
;
Inoue, Kazutoshi
;
Akagi, Kazuto
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  |  
浏览/下载:12/0
  |  
提交时间:2021/02/02
Metal/oxide incoherent interface
Scanning transmission electron microscopy
First-principles calculations
Atomic-scale structure
Bonding nature
Strong metal-metal interaction and bonding nature in metal/oxide interfaces with large mismatches
期刊论文
ACTA MATERIALIA, 2019, 卷号: 179, 页码: 237-246
作者:
Li, Hongping
;
Saito, Mitsuhiro
;
Chen, Chunlin
;
Inoue, Kazutoshi
;
Akagi, Kazuto
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  |  
浏览/下载:33/0
  |  
提交时间:2021/02/02
Metal/oxide incoherent interface
Scanning transmission electron microscopy
First-principles calculations
Atomic-scale structure
Bonding nature
Performance Research of Magnesium Base Lanthanum Hexaaluminate Prepared by Co-Precipitation
期刊论文
ACTA METALLURGICA SINICA, 2019, 卷号: 55, 期号: 5, 页码: 657-663
作者:
Li Ying
;
Sun Chao
;
Gong Jun
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  |  
浏览/下载:53/0
  |  
提交时间:2021/02/02
magnetoplumbite phase
lanthanum hexaaluminate
crystal structure
atomic bonding
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
Lattice structures and electronic properties of MO/MoSe2 interface from first-principles calculations
期刊论文
Physica E: Low-Dimensional Systems and Nanostructures, 2015, 卷号: 66, 页码: 342-349
作者:
Zhang, Yu
;
Tang, Fu-Ling
;
Xue, Hong-Tao
;
W.-J., Lu
;
J.-F., Liu
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2022/02/17
Atoms
Calculations
Chemical bonds
Density functional theory
Electronic properties
Lattice mismatch
Lattice theory
Molybdenum
Selenium
Selenium compounds
Atomic positions
Bonding energies
Density of state
First principles
First-principles calculation
Interface bonding energy
Lattice structures
Plane wave calculations
Atomic site occupation determined by magnetism in the Heusler alloy Mn2CoGa doped with Cr
期刊论文
PHYSICA B-CONDENSED MATTER, 2014, 卷号: 454, 页码: 1
Zhang, YJ
;
Li, GJ
;
Liu, EK
;
Chen, JL
;
Wang, WH
;
Meng, FB
;
Wu, GH
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  |  
浏览/下载:22/0
  |  
提交时间:2015/04/14
Heusler alloy
Magnetic properties
Atomic configuration
Covalent bonding
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