144 citations · 250 across the 5 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…
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…
Anisotropic work function of elemental crystals
Richard Tran, Xiang-Guo Li, Joseph Montoya +3
The work function is a fundamental electronic property of a solid that varies with the facets of a crystalline surface. It is a crucial parameter in spectroscopy as well as materia…
An Electrostatic Spectral Neighbor Analysis Potential (eSNAP) for Lithium Nitride
Zhi Deng, Chi Chen, Xiang-Guo Li +1
Machine-learned interatomic potentials based on local environment descriptors represent a transformative leap over traditional potentials based on rigid functional forms in terms o…