203 citations · 560 across the 18 of their papers we have counts for
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Complex Strengthening Mechanisms in the NbMoTaW Multi-Principal Element Alloy
Xiang-Guo Li, Chi Chen, Hui Zheng +2
Refractory multi-principal element alloys (MPEAs) have exceptional mechanical properties, including high strength-to-weight ratio and fracture toughness, at high temperatures. Here…
Random Forest Models for Accurate Identification of Coordination Environments from X-ray Absorption Near-Edge Structure
Chen Zheng, Chi Chen, Yiming Chen +1
Analyzing coordination environments using X-ray absorption spectroscopy has broad applications ranging from solid-state physics to material chemistry. Here, we show that random for…
Unified Theory of Thermal Quenching in Inorganic Phosphors
Mahdi Amachraa, Zhenbin Wang, Hanmei Tang +4
We unify two prevailing theories of thermal quenching (TQ) in rare-earth-activated inorganic phosphors - the cross-over and auto-ionization mechanisms - into a single predictive mo…
A Performance and Cost Assessment of Machine Learning Interatomic Potentials
Yunxing Zuo, Chi Chen, Xiangguo Li +8
Machine learning of the quantitative relationship between local environment descriptors and the potential energy surface of a system of atoms has emerged as a new frontier in the d…
Grain Boundary Properties of Elemental Metals
Hui Zheng, Xiang-Guo Li, Richard Tran +5
The structure and energy of grain boundaries (GBs) are essential for predicting the properties of polycrystalline materials. In this work, we use high-throughput density functional…
Oxygen-vacancy tuning of magnetism in SrTiFeCoO perovskite
Mariel A. Opazo, Shyue Ping Ong, P. Vargas +2
We use density functional theory to calculate the structure, band-gap and magnetic properties of oxygen-deficient SrTiFeCoO with x = y = 0.125 and = (…