activity
20152022
most citedA Computational Study of Yttria-Stabilized Zirconia: II. Cation Diffusion

73 citations · 188 across the 11 of their papers we have counts for

collaborators

11 papers

cond-mat.mtrl-sci2022★ 14 cited

Mechanism of Local Lattice Distortion Effects on Vacancy Migration Barriers in FCC Alloys

Zhucong Xi, Mingfei Zhang, Louis G. Hector +2

Accurate prediction of vacancy migration energy barriers, , in multi-component alloys is extremely challenging yet critical for the development of diffusional transformation…

cond-mat.mtrl-sci2022

A bond counting model for accurate prediction of lattice parameter of bcc solid solution alloys

Chris Tandoc, Liang Qi, Yong-Jie Hu

Lattice Parameter is an important material feature in High Entropy Alloy (HEA) Design. Vegards Law is typically used to estimate lattice parameters but is often inaccurate for meta…

cond-mat.mtrl-sci2020★ 6 cited

Screening of generalized stacking fault energies, surface energies and intrinsic ductile potency of refractory multicomponent alloys

Yong-Jie Hu, Aditya Sundar, Shigenobu Ogata +1

Body-centered cubic (bcc) refractory multicomponent alloys are of great interest due to their remarkable strength at high temperatures. Meanwhile, further optimizing the chemical c…

cond-mat.mtrl-sci2019★ 10 cited

Predicting densities and elastic moduli of SiO2-based glasses by machine learning

Yong-Jie Hu, Ge Zhao, Mingfei Zhang +8

Chemical design of SiO2-based glasses with high elastic moduli and low weight is of great interest. However, it is difficult to find a universal expression to predict the elastic m…

cond-mat.mtrl-sci2019★ 6 cited

Mechanisms of GaN quantum dot formation during nitridation of Ga droplets

H. Lu, C. Reese, S. Jeon +6

We have examined the formation mechanisms of GaN quantum dots (QDs) via annealing of Ga droplets in a nitrogen flux. We consider the temperature and substrate dependence of the siz…

cond-mat.mtrl-sci2018

Electron Localization Enhances Cation Diffusion in Reduced ZrO2, CeO2 and BaTiO3

Yanhao Dong, Liang Qi, Ju Li +1

According to defect chemistry, the experimental observations of enhanced cation diffusion in a reducing atmosphere in zirconia, ceria and barium titanate are in support of an inter…