Ab initio molecular dynamics (AIMD) simulations of NaCl, UCl<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si1.svg"><mml:msub><mml:mrow/><mml:mn>3</mml:mn></mml:msub></mml:math> and NaCl-UCl<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si1.svg"><mml:msub><mml:mrow/><mml:mn>3</mml:mn></mml:msub></mml:math> molten salts
David A. Andersson, Benjamin Beeler
Topics & Concepts
Eutectic systemChemistryThermodynamicsvan der Waals forceMolecular dynamicsMixing (physics)Ab initioPhysical chemistryComputational chemistryMoleculeCrystallographyPhysicsOrganic chemistryMicrostructureQuantum mechanicsMolten salt chemistry and electrochemical processesMetallurgical Processes and ThermodynamicsMaterial Dynamics and Properties