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Exploring effective charge in electromigration using machine learning
Yu-chen Liu, Benjamin Afflerbach, Ryan Jacobs +2
The effective charge of an element is a parameter characterizing the electromgration effect, which can determine the reliability of interconnection in electronic technologies. In t…
Flux effects in precipitation under irradiation - Simulation of Fe-Cr alloys
Jia-Hong Ke, Elaina R. Reese, Emmanuelle A. Marquis +2
Radiation-enhanced precipitation of Cr-rich α' in irradiated Fe-Cr alloys, which results in hardening and embrittlement, depends on the irradiating particle and the displacement pe…
Materials Discovery of Stable and Nontoxic Halide Perovskite Materials for High-Efficiency Solar Cells
Ryan Jacobs, Guangfu Luo, Dane Morgan
Two critical limitations of organic-inorganic lead halide perovskite materials for solar cells are their poor stability in humid environments and inclusion of toxic lead. In this s…
Assessing correlations of perovskite catalytic performance with electronic structure descriptors
Ryan Jacobs, Jonathan Hwang, Yang Shao-Horn +1
Electronic structure descriptors are computationally efficient quantities used to construct qualitative correlations for a variety of properties. In particular, the oxygen p-band c…