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中国科学院上海应用物理研究所机构知识库
Knowledge Management System Of Shanghai Institute of Applied Physics, CAS
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Migration behavior of tellurium in bcc iron against typical alloying elements: A first-principles study
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2020, 卷号: 181, 页码: -
Authors:
Zhang, ZD
;
Ren, CL
;
Tan, ML
;
Yang, YQ
;
Yin, YR
;
Wang, CY
;
Han, H
;
Huai, P
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Submit date:2021/09/06
INITIO MOLECULAR-DYNAMICS
SOLVENT SELF-DIFFUSION
AB-INITIO
ALPHA-IRON
FE
VACANCIES
NICKEL
ENERGY
DIFFUSIVITIES
TRANSITION
Sample spinning to mitigate polarization artifact and interstitial-vacancy imbalance in ion-beam irradiation
期刊论文
NPJ COMPUTATIONAL MATERIALS, 2020, 卷号: 6, 期号: 1, 页码: -
Authors:
Ren, CL
;
Yang, Y
;
Li, YG
;
Huai, P
;
Zhu, ZY
;
Li, J
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Submit date:2021/09/06
CHARGED-PARTICLE
CHALLENGES
FE
Ion beam irradiation of ABO(4) compounds with the fergusonite, monazite, scheelite, and zircon structures
期刊论文
JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 2020, 卷号: 103, 期号: 10, 页码: 5502-5514
Authors:
de los Reyes, M
;
Aughterson, RD
;
Gregg, DJ
;
Middleburgh, SC
;
Zaluzec, NJ
;
Huai, P
;
Ren, CL
;
Lumpkin, GR
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CRYSTAL-STRUCTURE
NEUTRON-DIFFRACTION
RADIATION-DAMAGE
TEMPERATURE
TRANSFORMATION
PYROCHLORE
PHASE
AMORPHIZATION
TRANSITIONS
REFINEMENT
First-principles study of helium behavior in nickel with noble gas incorporation
期刊论文
JOURNAL OF APPLIED PHYSICS, 2020, 卷号: 127, 期号: 17, 页码: -
Authors:
Liao, LX
;
Zhang, X
;
Ren, CL
;
Zhang, ZD
;
Huang, HF
;
Ma, GH
;
Huai, P
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Submit date:2021/09/06
ION
IRRADIATION
EVOLUTION
MICROSTRUCTURE
ALLOY
Direct Synthesis of Semimetal Phthalocyanines on a Surface with Insights into Interfacial Properties
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2020, 卷号: 124, 期号: 15, 页码: 8247-8256
Authors:
Hu, JB
;
Strand, FS
;
Chellappan, RK
;
Zhang, ZD
;
Shen, KC
;
Hu, JP
;
Ji, GW
;
Huai, P
;
Huang, H
;
Wang, P
;
Li, ZS
;
Jiang, Z
;
Wells, JW
;
Song, F
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Submit date:2021/09/06
RAY PHOTOELECTRON-SPECTROSCOPY
COBALT PHTHALOCYANINE
IRON PHTHALOCYANINE
BISMUTH
PORPHYRINS
AG(111)
COORDINATION
METALATION
MOLECULES
EXCHANGE
Impact of dislocations and dislocation substructures on molten salt corrosion of alloys under plasticity-imparting conditions
期刊论文
CORROSION SCIENCE, 2020, 卷号: 176, 页码: -
Authors:
Muransky, O
;
Karatchevtseva, I
;
Danon, AE
;
Holmes, R
;
Huai, P
;
Zhang, ZM
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Theoretical prediction of radiation-enhanced diffusion behavior in nickel under self-ion irradiation
期刊论文
NUCLEAR SCIENCE AND TECHNIQUES, 2020, 卷号: 31, 期号: 9, 页码: -
Authors:
Chen, XY
;
Wen, AL
;
Ren, CL
;
Wang, CB
;
Zhang, W
;
Huang, HF
;
Chen, ZW
;
Huai, P
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Submit date:2021/09/06
Ab initio investigation of pressure-induced structural transitions and electronic evolution of Th3N4
期刊论文
HIGH PRESSURE RESEARCH, 2020, 卷号: 40, 期号: 2, 页码: 267-282
Authors:
Zhang, Y
;
Guo, YL
;
Liao, ZG
;
Liu, CD
;
Huai, P
;
Zhu, ZY
;
Ke, XZ
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Submit date:2021/09/06
TOTAL-ENERGY CALCULATIONS
EQUATION-OF-STATE
CRYSTAL-STRUCTURE
SOFT-MODE
PHASE
FUNCTIONALS
STABILITY
OXIDATION
NITRIDE
电场、应力和电荷态对Ti_2CO_2电子性质调控的理论研究
期刊论文
无机材料学报, 2020, 卷号: 35, 期号: 01, 页码: 73-80
Authors:
王昌英
;
路宇畅
;
任翠兰
;
王刚
;
怀平
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Submit date:2021/04/25
第一性原理
Ti2co2
电场
应力
电荷态
电子性质
VaspCZ:一个提高效率的VASP计算辅助程序
期刊论文
核技术, 2020, 卷号: 43, 期号: 03, 页码: 34-40
Authors:
张正德
;
谈蒙露
;
任翠兰
;
怀平
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Submit date:2021/04/25
第一性原理
VASP
辅助程序
电子结构计算
过渡态计算