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Ab-Initio molecular dynamics simulations of binary NaCl-ThCl4 and ternary NaCl-ThCl4-UCl3 molten salts

Gaoxue Wang, Bo Li, Ping Yang, David A. Andersson

2023Journal of Molecular Liquids16 citationsDOIOpen Access PDF

Topics & Concepts

Eutectic systemTernary operationMole fractionMolecular dynamicsMolten saltChemistryThermodynamicsMixing (physics)Heat capacityMolten salt reactorPhysical chemistryCrystallographyInorganic chemistryComputational chemistryComputer scienceQuantum mechanicsPhysicsProgramming languageMicrostructureMolten salt chemistry and electrochemical processesNuclear Materials and PropertiesNuclear materials and radiation effects
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