eo ry o f lin ear response applied to the lith iu m isotope effects
نویسنده
چکیده
Expressions in terms of group-velocity time-correlation functions for the ionic mobilities of molten 6LiCl,7 LiCl and (6Li,7 Li)Cl are derived, taking the time-averaged zero momentum of inertia of each of the three groups of ions into account. MD-simulations have been performed for 6LiCl and 7 LiCl, yielding agreement between the simulated and the published experimental reduced isotope effect, although the temperature volume conditions of the simulations did not conform with natural LiCl.
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