Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Yue, Chao"'
Autor:
Chen, Zi-Hang, Sheng, Jie, Liu, Yu, Shi, Xiao-Ming, Huang, Houbing, Xu, Ke, Wang, Yue-Chao, Wu, Shuai, Sun, Bo, Liu, Hai-Feng, Song, Hai-Feng
Hydride precipitation in zirconium cladding materials can damage their integrity and durability.Service temperature and material defects have a significant effect on the dynamic growth of hydrides. In this study, we have developed a phase field model
Externí odkaz:
http://arxiv.org/abs/2311.03162
Publikováno v:
J. Phys. Chem. Lett. 2023, 14, 8930
Strongly correlated systems containing d/f-electrons present a challenge to conventional density functional theory (DFT), such as the widely used local density approximation (LDA) or generalized gradient approximation (GGA). In this work, we develope
Externí odkaz:
http://arxiv.org/abs/2307.07745
Autor:
Sheng, Jie, Liu, Yu, Shi, Xiao-Ming, Wang, Yue-Chao, Chen, Zi-Hang, Xu, Ke, Wu, Shuai, Huang, Hou-Bing, Sun, Bo, Liu, Hai-Feng, Song, Hai-Feng
Hydrogen-induced multi-spot corrosion on the surface of polycrystalline rare metals is a complex process, which involves the interactions between phases (metal, hydride and oxide), grain orientations, grain boundaries, and corrosion spots. To accurat
Externí odkaz:
http://arxiv.org/abs/2306.16920
Autor:
Liu, Bei-Lei, Wang, Yue-Chao, Liu, Yu, Xu, Yuan-Ji, Chen, Xin, Song, Hong-Zhou, Bi, Yan, Liu, Hai-Feng, Song, Hai-Feng
Publikováno v:
J. Chem. Phys. 158 (2023) 084108
As correlation strength has a key influence on the simulation of strongly correlated materials, many approaches have been proposed to obtain the parameter using first-principles calculations. However, the comparison of the different Coulomb strengths
Externí odkaz:
http://arxiv.org/abs/2211.16260
Autor:
Sheng, Jie, Wang, Yue-Chao, Liu, Yu, Wu, Shuai, Xu, Ke, Chen, Zi-Hang, Sun, Bo, Liu, Hai-Feng, Song, Hai-Feng
Publikováno v:
Comp. Mater. Sci. 213 (2022) 111663
Hydrogen-induced pitting corrosion of metallic is a common phenomenon that damages the integrity and durability of the materials. Its numerical simulation is still a challenge due to many complex mechanisms, especially solid-solid phase transformatio
Externí odkaz:
http://arxiv.org/abs/2203.07289
Autor:
Wang, Yue-Chao, Liu, Bei-Lei, Liu, Yu, Liu, Hai-Feng, Bi, Yan, Gao, Xing-Yu, Sheng, Jie, Song, Hong-Zhou, Tian, Ming-Feng, Song, Hai-Feng
Density functional theory plus $U$ (DFT+$U$) is one of the most efficient first-principles methods to simulate the cold pressure properties of strongly-correlated materials. However, the applicability of DFT+$U$ at ultra-high pressure is not sufficie
Externí odkaz:
http://arxiv.org/abs/2111.12863
Autor:
Wang, Yue-Chao, Xu, Yuan-Ji, Liu, Yu, Han, Xing-Jie, Zhu, Xie-Gang, Yang, Yi-feng, Bi, Yan, Liu, Hai-Feng, Song, Hai-Feng
Publikováno v:
Phys. Rev. B 103, 165140 (2021)
In the heavy fermion materials, the characteristic energy scales of many exotic strongly correlated phenomena (Kondo effect, magnetic order, superconductivity, etc.) are at milli-electron-volt order, implying that the heavy fermion materials are surf
Externí odkaz:
http://arxiv.org/abs/2102.10796
Autor:
Zhu, Xie-Gang, Liu, Yu, Zhao, Ya-Wen, Wang, Yue-Chao, Zhang, Yun, Lu, Chao, Duan, Yu, Xie, Dong-Hua, Feng, Wei, Jian, Dan, Wang, Yong-Huan, Tan, Shi-Yong, Liu, Qin, Zhang, Wen, Liu, Yi, Luo, Li-Zhu, Luo, Xue-Bing, Chen, Qiu-Yun, Song, Hai-Feng, Lai, Xin-Chun
The physical mechanism driving the $\gamma$-$\alpha$ phase transition of face-centre-cubic (fcc) cerium (Ce) remains controversial until now. In this work, high quality single crystalline fcc-Ce thin films were grown on Graphene/6$H$-SiC(0001) substr
Externí odkaz:
http://arxiv.org/abs/1911.10722
Autor:
Bei-Lei Liu, Yue-Chao Wang, Yu Liu, Yuan-Ji Xu, Xin Chen, Hong-Zhou Song, Yan Bi, Hai-Feng Liu, Hai-Feng Song
As correlation strength has a key influence on the simulation of strongly correlated materials, many approaches have been proposed to obtain the parameter using first-principles calculations. However, the comparison of the different Coulomb strengths
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9425fe9a154d2cdcba50e03ac4ca0b07