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
Modeling the high-pressure solid and liquid phases of tin from deep potentials with ab initio accuracy
Sign Up to like & getrecommendations! Published in 2022 at "Physical Review Materials"
DOI: 10.1103/physrevmaterials.7.053603
Abstract: Constructing an accurate atomistic model for the high-pressure phases of tin (Sn) is challenging because properties of Sn are sensitive to pressures. We develop machine-learning-based deep potentials for Sn with pressures ranging from 0 to… read more here.
Keywords: deep potentials; liquid phases; pressure; high pressure ... See more keywords