Transferable Deep Learning Potential Reveals Intermediate-Range Ordering Effects in LiF–NaF–ZrF<sub>4</sub> Molten Salt
Rajni Chahal, Santanu Roy, Martin Brehm, Shubhojit Banerjee, Vyacheslav S. Bryantsev, Stephen Lam
Abstract
content. In such cases, machine learning-based simulations capable of accessing larger time and length scales (beyond 17 Å) were critical for accurately predicting both structure and ionic diffusivities.
Topics & Concepts
Molten saltEutectic systemRaman spectroscopyIonic bondingFlatteningRange (aeronautics)Materials scienceChemical physicsChemistryIonAlloyOpticsMetallurgyPhysicsOrganic chemistryComposite materialMolten salt chemistry and electrochemical processesMachine Learning in Materials ScienceInorganic Fluorides and Related Compounds