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期刊论文 [36]
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Solute segregation induced stabilizing and strengthening effects on Ni ς3 [110](111) symmetrical tilt grain boundary in nickel-based superalloys
期刊论文
Journal of Materials Research and Technology, 2021, 卷号: 11, 页码: 1281-1289
作者:
Xue, Hongtao
;
Luo, Yaqiao
;
Tang, Fuling
;
Yu, Xuefeng
;
Lu, Xuefeng
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2021/06/03
Alloying elements
Atoms
Binary alloys
Calculations
Cobalt alloys
Density functional theory
Fracture toughness
Nickel alloys
Segregation (metallography)
Superalloys
Thermodynamic stability
Titanium alloys
Transition metals
Zircaloy
First principles
Grain boundary segregation
Grain-boundaries
Grain-boundary energy
Ni ς3 [110](111) symmetrical tilt grain boundary
Nickel-based superalloys
Stabilizing effects
Strengthening effect
Tilt grain boundary
Work of separation
An Analogous Periodic Law for Strong Anchoring of Polysulfides on Polar Hosts in Lithium Sulfur Batteries: S- or Li-Binding on First-Row Transition-Metal Sulfides?
期刊论文
ACS ENERGY LETTERS, 2017, 卷号: 2, 期号: 4, 页码: 795-801
Chen, Xiang
;
Peng, Hong-Jie
;
Zhang, Rui
;
Hou, Ting-Zheng
;
Huang, Jia-Qj
;
Li, Bo
;
Zhang, Qang
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  |  
浏览/下载:31/0
  |  
提交时间:2017/08/17
Relativistic GVVPT2 Multireference Perturbation Theory Description of the Electronic States of Y-2 and Tc-2
期刊论文
journal of physical chemistry a, 2014
Tamukong, Patrick K.
;
Hoffmann, Mark R.
;
Li, Zhendong
;
Liu, Wenjian
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  |  
浏览/下载:2/0
  |  
提交时间:2015/11/11
TRANSITION-METAL ATOMS
RARE-GAS MATRICES
ANO BASIS-SETS
SPIN-RESONANCE
GROUND-STATE
TECHNETIUM
DIMERS
SPECTROSCOPY
MOLECULES
MANGANESE
Theoretical and numerical assessments of spin-flip time-dependent density functional theory
期刊论文
journal of chemical physics, 2012
Li, Zhendong
;
Liu, Wenjian
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  |  
浏览/下载:5/0
  |  
提交时间:2015/11/12
COUPLED-CLUSTER METHODS
INCLUDING TRIPLE EXCITATIONS
TAMM-DANCOFF APPROXIMATION
GAUSSIAN BASIS FUNCTIONS
SELF-CONSISTENT-FIELD
ATOMIC BASIS SETS
FIRST-ROW ATOMS
EXCITED-STATES
MOLECULAR CALCULATIONS
BOND-BREAKING
Adsorption of Au and Pt dimers on Ge(001) and Si(001): A first-principles study
期刊论文
SOLID STATE COMMUNICATIONS, 2011, 卷号: 151, 期号: 9, 页码: 655
Niu, CY
;
Wang, JT
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  |  
浏览/下载:7/0
  |  
提交时间:2013/09/17
AUGMENTED-WAVE METHOD
AB-INITIO
NANOWIRES
EFFECTS OF STRUCTURAL MODIFICATION ON THE GROUND STATE OF METALLABENZENES: SINGLET VERSUS TRIPLET STATE
期刊论文
2011
Lin, Minglian
;
Li, Pengfei
;
Cao, Zexing
;
曹泽星
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浏览/下载:3/0
  |  
提交时间:2012/02/17
Metallabenzenes
DFT calculations
spin states
stability
价键优选法:二、三周期小团簇的理论研究
期刊论文
2010, 2010
何春龙
;
袁喆
;
申旭阳
;
许雅歌
;
李家明
;
He Chun-Long
;
Yuan Zhe
;
Shen Xu-Yang
;
Xu Ya-Ge
;
Li Jia-Ming
收藏
  |  
浏览/下载:2/0
Selective adsorption of first-row atoms on BN nanotubes
期刊论文
2010, 2010
Li, Jia
;
Zhou, Gang
;
Liu, Haitao
;
Duan, Wenhui
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  |  
浏览/下载:2/0
Optimum valence bond scheme: theoretical study of small clusters of elements in the second and third row of periodic table
期刊论文
2010, 2010
He, CL
;
Yuan, Z
;
Shen, XY
;
Xu, YG
;
Li, JM
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  |  
浏览/下载:2/0
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