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ChemInform Abstract: First‐Principles Molecular Dynamics Investigation on Na3AlF6 Molten Salt. |
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| Authors: | Xiaojun Lv Zhenming Xu Jie Li Jiangan Chen Qingsheng Liu |
| Abstract: | The partial radial distribution function, coordination numbers, bond angles, F atoms type, self‐diffusion coefficient, viscosity, and ionic conduction of molten Na3AlF6 are investigated by first‐principles molecular dynamics simulation. |
| Keywords: | theory of the condensed state aluminum Al sodium Na fluorine F |