Predicting thermal storage property of NaCl-NaF-Na2CO3 heterogeneous molten salt by depth potential molecular dynamics simulation

Key Points

• Thermal storage properties were accurately predicted using depth potential molecular dynamics simulation, showcasing the material's applicability.
• The simulations indicated a significant variance in thermal storage efficiency between the different salt compositions, highlighting the importance of formulation.
• Using molecular dynamics allowed for a detailed analysis of atomic interactions within the molten salt mixture, leading to improved predictions.
• This work suggests that optimized molten salt compositions could enhance energy storage technologies, enabling better renewable energy integration.