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期刊论文 [37]
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First Principle Study on Effects of Al and Fe Doping on Properties of Cr20Ni80 Electrothermal Alloy
期刊论文
Cailiao Daobao/Materials Reports, 2022, 卷号: 36, 期号: 11
作者:
Li, Yamin
;
Zhang, Yaoyao
;
Zhou, Shengrui
;
Liu, Hongjun
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2022/07/20
Aluminum
Binary alloys
Binding energy
Calculations
Chromium alloys
Iron alloys
Al-doping
Cr20ni80 electrothermal alloy
Elastic properties
Fe doping
First principles
First-principle study
Formation heat
Property
Super cell
Supercell model
First-Principles Study on the Effect of Cu on Nb Segregation in Inconel 718 Alloy
期刊论文
ACTA METALLURGICA SINICA, 2022, 卷号: 58, 期号: 2, 页码: 241-249
作者:
Li Yamin
;
Zhang Yaoyao
;
Zhao Wang
;
Zhou Shengrui
;
Liu Hongjun
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  |  
浏览/下载:34/0
  |  
提交时间:2022/03/01
Inconel 718 alloy
alloying element interaction
Nb segregation mechanism
first principle
Optoelectronic properties of Rb-doped inorganic double perovskite Cs2AgBiBr6
期刊论文
Chemical Physics Letters, 2021, 卷号: 771
作者:
Chen, Hong
;
Zhang, Cai-Rong
;
Liu, Zi-Jiang
;
Gong, Ji-Jun
;
Zhang, Mei-Ling
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  |  
浏览/下载:8/0
  |  
提交时间:2021/04/12
Bismuth compounds
Bromine compounds
Cesium compounds
Density functional theory
Doping (additives)
Electronic structure
Energy gap
Perovskite
Rubidium compounds
Silver
Silver compounds
Ag$++$
Cs$++$
Density-functional-theory
Double perovskites
Electronic.structure
Inorganics
Optical-
Optoelectronics property
Property
Supercell model
Vacancy defects on optoelectronic properties of double perovskite Cs2AgBiBr6
期刊论文
Materials Science in Semiconductor Processing, 2021, 卷号: 123
作者:
Chen, Hong
;
Zhang, Cai-Rong
;
Liu, Zi-Jiang
;
Gong, Ji-Jun
;
Wang, Wei
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  |  
浏览/下载:2/0
  |  
提交时间:2021/03/02
Binding energy
Bismuth compounds
Cesium compounds
Crystal atomic structure
Defects
Density functional theory
Electronic structure
Energy gap
Excitons
Light absorption
Perovskite
Red Shift
Silver compounds
Absorption capability
Double perovskites
Exciton-binding energy
Low energy regions
Optoelectronic properties
Slight deformations
Supercell model
Vacancy effects
A new model on cation distribution in cation-disordered Li1+xTM1-xO2 cathodes
期刊论文
SOLID STATE IONICS, 2020, 卷号: 351, 页码: 9
作者:
Huang, Yang
;
Liu, Long
;
Zhu, Yuanyuan
;
Gao, Min
;
Zhang, Junrong
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  |  
浏览/下载:12/0
  |  
提交时间:2020/08/24
Elastic properties of face-centered cubic, body-centered cubic and hexagonal high entropy alloys by MaxEnt approach
期刊论文
MATERIALS RESEARCH EXPRESS, 2018, 卷号: 5, 期号: 7, 页码: -
作者:
Zheng, SM
;
Wang, SQ
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  |  
浏览/下载:15/0
  |  
提交时间:2018/12/25
high-entropy alloys
first-principles calculation
maximum entropy
elastic properties
Thermal vacancy formation enthalpy of random solid solutions: The FePt case
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 143, 页码: 206-211
作者:
Luo, HB
;
Hu, QM
;
Du, J
;
Yan, AR
;
Liu, JP
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  |  
浏览/下载:17/0
  |  
提交时间:2018/06/05
Potential Model
Alloys
Nanoparticles
Coercivity
Transition
Energetics
Metals
Energy
Thermal vacancy formation enthalpy of random solid solutions: The FePt case
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 143, 页码: 206-211
作者:
Hu, Q. M.
;
Liu, J. P.
;
Yan, A. R.
;
Du, J.
;
Luo, H. B.
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  |  
浏览/下载:21/0
  |  
提交时间:2018/12/04
Potential Model
Alloys
Nanoparticles
Coercivity
Transition
Energetics
Metals
Energy
Construction of ground-state preserving sparse lattice models for predictive materials simulations
期刊论文
NPJ COMPUTATIONAL MATERIALS, 2017, 卷号: 3, 页码: 9
作者:
Huang, Wenxuan
;
Urban, Alexander
;
Rong, Ziqin
;
Ding, Zhiwei
;
Luo, Chuan
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  |  
浏览/下载:35/0
  |  
提交时间:2019/12/10
Local lattice distortion in high-entropy alloys
期刊论文
AMER PHYSICAL SOC, 2017, 卷号: 1, 期号: 2, 页码: -
作者:
Song, Hongquan
;
Tian, Fuyang
;
Hu, Qing-Miao
;
Vitos, Levente
;
Wang, Yandong
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  |  
浏览/下载:14/0
  |  
提交时间:2018/01/10
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