activity
20072023
most citedFirst-principles study of surface properties of PuO2: Effects of thickness and O-vacancy on surface stability and chemical activity

48 citations · 137 across the 15 of their papers we have counts for

collaborators

15 papers

cond-mat.mtrl-sci2023★ 1 cited

Phase-field simulations of the effect of temperature and interface for zirconium $δ\mbox{-}$hydrides

Zi-Hang Chen, Jie Sheng, Yu Liu +8

Hydride precipitation in zirconium cladding materials can damage their integrity and durability.Service temperature and material defects have a significant effect on the dynamic gr…

cond-mat.str-el2023★ 11 cited

Doubly screened Coulomb correction approach for strongly correlated systems

Bei-Lei Liu, Yue-Chao Wang, Yu Liu +2

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)…

cond-mat.stat-mech2023★ 1 cited

Extend the random-walk shielding-potential viscosity model to hot temperature regime

Yuqing Cheng, Xingyu Gao, Qiong Li +3

The transport properties of matter have been widely investigated. In particular, shear viscosity over a wide parameter space is crucial for various applications, such as designing…

cond-mat.mtrl-sci2021★ 1 cited

The underestimation of high pressure in DFT+ simulation for the wide range cold-pressure of lanthanide metals

Yue-Chao Wang, Bei-Lei Liu, Yu Liu +7

Density functional theory plus (DFT+) is one of the most efficient first-principles methods to simulate the cold pressure properties of strongly-correlated materials. Howeve…

cond-mat.stat-mech2021★ 3 cited

Random-walk shielding-potential viscosity model for warm dense metals

Yuqing Cheng, Haifeng Liu, Yong Hou +7

We develop a novel model, called the ``random-walk shielding-potential viscosity model'' (RWSP-VM) that introduces the statistics of random-walk ions and the Debye shielding effect…

cond-mat.str-el2021★ 12 cited

The first-principles research on the role of surface in the heavy fermion compound CeRhSi

Yue-Chao Wang, Yuan-Ji Xu, Yu Liu +6

In the heavy fermion materials, the characteristic energy scales of many exotic strongly correlated phenomena (Kondo effect, magnetic order, superconductivity, etc.) are at milli-e…