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Theoretical investigation on structure, mechanical performance and oxidation resistance of the boron-doped PyC interphase in SiCf/ SiC composites
期刊论文
OAI收割
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, 2024, 卷号: 44, 期号: 5, 页码: 3074-3083
作者:
Liu, Mei
;
Zhang, Siyan
;
Luo, Yixiu
;
Sun, Luchao
;
Wang, Jiemin
  |  
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Machine Learning-Accelerated First-Principles Study of Atomic Configuration and Ionic Diffusion in Li
10
GeP
2
S
12
Solid Electrolyte
期刊论文
OAI收割
MATERIALS, 2024, 卷号: 17, 期号: 8, 页码: 14
作者:
Qi, Changlin
;
Zhou, Yuwei
;
Yuan XZ(袁晓泽)
;
Peng Q(彭庆)
;
Yang, Yong
  |  
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  |  
Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoO
x
S
4-
x
2-
Species in the Aqueous Phase by the ONIOM Method
期刊论文
OAI收割
ACS EARTH AND SPACE CHEMISTRY, 2023, 卷号: 7, 期号: 1, 页码: 142-155
作者:
He, Yuyang
;
Gao, Caihong
;
Wei, Wei
;
Liu, Yun
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Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoOxS4-x2- Species in the Aqueous Phase by the ONIOM Method
期刊论文
OAI收割
ACS EARTH AND SPACE CHEMISTRY, 2022, 页码: 14
作者:
He YY(何雨旸)
;
Gao,Caihong
;
Wei,Wei
;
Liu,Yun
  |  
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  |  
Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoOxS4-x2- Species in the Aqueous Phase by the ONIOM Method
期刊论文
OAI收割
ACS EARTH AND SPACE CHEMISTRY, 2022, 页码: 14
作者:
He, Yuyang
;
Gao, Caihong
;
Wei, Wei
;
Liu, Yun
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Theoretical prediction on structure evolution and optimal properties of silicon modified hexagonal boron nitride as interphase in SiCf/SiC composite
期刊论文
OAI收割
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, 2022, 卷号: 42, 期号: 13, 页码: 5323-5333
作者:
Zhang, Siyan
;
Liu, Mei
;
Luo, Yixiu
;
Sun, Luchao
;
Wang, Jiemin
  |  
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  |  
Structures and energetics of multiple helium atoms in a tungsten monovacancy
期刊论文
OAI收割
JOURNAL OF NUCLEAR MATERIALS, 2022, 卷号: 561
作者:
Song, Chi
;
Hou, Jie
;
Kong, Xiang-Shan
;
Chen, L.
;
Wang, Sake
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Phase behaviors of ionic liquids attributed to the dual ionic and organic nature
期刊论文
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COMMUNICATIONS IN THEORETICAL PHYSICS, 2022, 卷号: 74, 期号: 9, 页码: 97601
作者:
Tang, Chenyu
;
Wang, Yanting
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Computational Auxiliary for the Progress of Sodium-Ion Solid-State Electrolytes
期刊论文
OAI收割
ACS NANO, 2021, 卷号: 15
作者:
Yang, Kaishuai
;
Liu, Dayong
;
Qian, Zhengfang
;
Jiang, Dongting
;
Wang, Renheng
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Localized Nb clusters in U-Nb liquid alloys: An ab initio molecular dynamics study
期刊论文
OAI收割
NUCLEAR MATERIALS AND ENERGY, 2021, 卷号: 26, 页码: 8
作者:
Shi, Yongpeng
;
Liu, Mingfeng
;
Wang, Jiantao
;
Ma, Hui
;
Li, Ronghan
  |  
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