Accurate and Efficient Calculation of the Solution Enthalpy and Diffusivity of Solutes in Liquid Metals Using Machine Learning Potential.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00270
Abstract: Liquid metals (LMs) have various applications in energy systems, such as coolants in advanced nuclear reactors. In addition, room-temperature LMs are attracting attention as flexible components in robotics and electronics and as novel chemical reaction… read more here.
Keywords: solution enthalpy; using machine; machine learning; liquid metals ... See more keywords