Achieving accurate entropy and melting point by ab initio molecular dynamics and zentropy theory: Application to fluoride and chloride molten salts

Fuente: arXiv
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Bibliographic Details
Main Authors: Shang, Shun-Li, Hew, Nigel L. E., Gong, Rushi, Cockrell, Cillian, Bingham, Paul A., Guo, Xiaofeng, Li, Jingjing, Hong, Qi-Jun, Liu, Zi-Kui
Format: Preprint
Published: 2025
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