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The effect of electric field and molecular ratio CR (NaF/AlF3) on basic structure and transport properties of NaFAlF3 molten salts were investigated by molecular dynamics simulations with the Buckingham potential model. The [AlF6]3− groups are the dominant specie in NaFAlF3 molten salts at CR ≥ 2.6, and followed by the [AlF5]2− groups, while CR ≤ 2.4, [AlF5]2− groups are the protagonists up to 40%...
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