A reactive force field approach to modeling corrosion of NiCr alloys in molten FLiNaK salts
Hamdy Arkoub, Swarit Dwivedi, Adri C. T. van Duin, Miaomiao Jin
Topics & Concepts
ReaxFFDissolutionCorrosionMaterials scienceMolecular dynamicsMolten saltAlloyForce field (fiction)NichromeFluorideChemical physicsMetallurgyInorganic chemistryChemistryComputational chemistryInteratomic potentialPhysical chemistryComputer scienceArtificial intelligenceMolten salt chemistry and electrochemical processesNuclear Materials and Propertiesnanoparticles nucleation surface interactions