Zobrazeno 1 - 10
of 808
pro vyhledávání: '"Liu, Hai Feng"'
The $f$-electron materials have many unique properties under pressure, thus of great interest in high-pressure physics and related industrial fields. However, the $f$-electrons pose a substantial challenge to simulations since the electron correlatio
Externí odkaz:
http://arxiv.org/abs/2410.09498
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
Publikováno v:
Chin. Phys. B, 2024, 33(4): 048201
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
Publikováno v:
Comp. Mater. Sci. 235 (2024) 112779
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
Publikováno v:
In Ocean Engineering 15 November 2024 312 Part 3
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:
Liu, Hai-Feng1 (AUTHOR), Wang, Ya-Yu2 (AUTHOR), Zhang, Xue-Zu3 (AUTHOR), Li, He-Yun4 (AUTHOR), Xiang, Mei5 (AUTHOR), Lu, Rui6 (AUTHOR), Liu, Cong-Yun7 (AUTHOR), Li, Wang8 (AUTHOR), Feng, Quan-Li1 (AUTHOR), Guo, Yun-Jie1 (AUTHOR), Huang, Rong-Wei1 (AUTHOR), Fu, Hong-Min1 (AUTHOR) fuhongmin@kmmu.edu.cn
Publikováno v:
BMC Infectious Diseases. 9/19/2024, Vol. 24 Issue 1, p1-12. 12p.
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:
Liu, Hai-Feng a, Hu, Xiao-Zhong b, Liu, Cong-Yun c, Guo, Zheng-Hong d, Lu, Rui e, Xiang, Mei f, Wang, Ya-Yu g, Yin, Zhao-Qing h, Wang, Min i, Sui, Ming-Ze a, Yang, Jia-Wu a, Fu, Hong-Min a, ⁎
Publikováno v:
In Heliyon 15 August 2024 10(15)