Composition-dependent microstructure evolution in liquid MgCl2-KCl: A first-principles molecular dynamics study
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2020.113131
Abstract: Abstract The structural evolution of MgCl2-based materials is of considerable interest due to their current and potential applications in numerous technologies, such as electrolyte in magnesium electrolysis, secondary coolant for high-temperature reactors, and a new… read more here.
Keywords: evolution; molecular dynamics; principles molecular; mgcl2 kcl ... See more keywords
Development of Deep Potentials of Molten MgCl2-NaCl and MgCl2-KCl Salts Driven by Machine Learning.
Sign Up to like & getrecommendations! Published in 2023 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.2c19272
Abstract: Molten MgCl2-based chlorides have emerged as potential thermal storage and heat transfer materials due to high thermal stabilities and lower costs. In this work, deep potential molecular dynamics (DPMD) simulations by a method combination of… read more here.
Keywords: mgcl2 nacl; deep potentials; machine learning; nacl mgcl2 ... See more keywords