Yan Sun

Reconstructive phase transitions involving breaking and reconstruction of primary chemical bonds are ubiquitous and important for many technological applications. In contrast to di…

cond-mat.mtrl-sci2023★ 15 cited

Symmetry breaking induced insulating electronic state in Pb $_{9}$ Cu(PO $_{4}$ ) $_{6}$ O

Jiaxi Liu, Tianye Yu, Jiangxu Li +5

The recent experimental claim of room-temperature ambient-pressure superconductivity in a Cu-doped lead-apatite (LK-99) has ignited substantial research interest in both experiment…

cond-mat.mtrl-sci2023★ 54 cited

First-principles study on the electronic structure of Pb $_{10 - x}$ Cu $_{x}$ (PO $_{4}$ ) $_{6}$ O ( $x$ =0, 1)

Junwen Lai, Jiangxu Li, Peitao Liu +2

Recently, Lee et al. reported the experimental discovery of room-temperature ambient-pressure superconductivity in a Cu-doped lead-apatite (LK-99) (arXiv:2307.12008, arXiv:2307.120…

cond-mat.mtrl-sci2023★ 20 cited

Hardness and fracture toughness models by symbolic regression

Jinbin Zhao, Peitao Liu, Jiantao Wang +5

Superhard materials with good fracture toughness have found wide industrial applications, which necessitates the development of accurate hardness and fracture toughness models for…

cond-mat.mtrl-sci2023★ 14 cited

Comprehensive ab initio study of effects of alloying elements on generalized stacking fault energies of Ni and Ni $_{3}$ Al

Heyu Zhu, Jiantao Wang, Yun Chen +5

Excellent high-temperature mechanical properties of Ni-based single crystal superalloys (NSCSs) are attributed to the yield strength anomaly of Ni $_{3}$ Al that is intimately relate…

Layer-by-layer phase transformation in Ti3​O5​ revealed by machine learning molecular dynamics simulations

Symmetry breaking induced insulating electronic state in Pb9​Cu(PO4​)6​O

First-principles study on the electronic structure of Pb10−x​Cux​(PO4​)6​O (x=0, 1)

Hardness and fracture toughness models by symbolic regression

Comprehensive ab initio study of effects of alloying elements on generalized stacking fault energies of Ni and Ni3​Al

Layer-by-layer phase transformation in Ti $_{3}$ O $_{5}$ revealed by machine learning molecular dynamics simulations

Symmetry breaking induced insulating electronic state in Pb $_{9}$ Cu(PO $_{4}$ ) $_{6}$ O

First-principles study on the electronic structure of Pb $_{10 - x}$ Cu $_{x}$ (PO $_{4}$ ) $_{6}$ O ( $x$ =0, 1)

Comprehensive ab initio study of effects of alloying elements on generalized stacking fault energies of Ni and Ni $_{3}$ Al