97 citations · 237 across the 7 of their papers we have counts for
7 papers
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…
Multi-scale Investigation of Chemical Short-Range Order and Dislocation Glide in the MoNbTi and TaNbTi Refractory Multi-Principal Element Alloys
Hui Zheng, Lauren T. W. Fey, Xiang-Guo Li +6
Refractory multi-principal element alloys (RMPEAs) are promising materials for high-temperature structural applications. Here, we investigate the role of chemical short-range order…
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…
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…
Universal correlation between electronic factors and solute-defect interactions in bcc refractory metals
Yong-Jie Hu, Ge Zhao, Baiyu Zhang +4
The interactions between solute atoms and crystalline defects such as vacancies, dislocations, and grain boundaries play an essential role in determining physical, chemical and mec…
A First-principles approach to predict Seebeck coefficients: Application to La3-xTe4
Yi Wang, Yong-Jie Hu, Shun-Li Shang +6
Theoretical descriptions of the Seebeck coefficient in terms of the differential electrical conductivity given by Cutler and Mott is the foundation of later works in terms of trans…
First-Principles Thermodynamic Theory of Seebeck Coefficients
Yi Wang, Yong-Jie Hu, Shun-Li Shang +3
Thermoelectric effects, measured by the Seebeck coefficients, refer to the phenomena in which a temperature difference or gradient imposed across a thermoelectric material induces…