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The structure of molten DyF_3-LiF system has been simulated by Monte Carlo method.Theradial distribution functions(RDFs)and the local structure have been obtained.It is concluded that F~- ionsdistribute closely around Dy~(3+) ions.There exist some fissures and holes between F~- ions and Li~+ ions.There are mainly two kinds of ionic types:the complex ions like DyF_n~(3-n) clusters with the central Dy~(3+) ions(the main ionic clusters are octahedral complex ions like DyF_6~(3-))and the“free”Li~+ ions.Moreover,somecomplex ions like DyF_n~(3-n) clusters are connected to one another by flourine-bridge,forming more compli-cated ionic clusters like Dy_m~(3m-n) F_n.By calculating the potential energies of all types of ions,it is concludedthat Li~+ ions have the highest potential energy in the molten system,which are current-carrying ions in theelectrolytic conductance.
The structure of molten DyF_3-LiF system has been simulated by Monte Carlo method. The radial distribution functions (RDFs) and the local structure have been obtained. It is said that F ~ - ions is distributed closely around Dy ~ (3+) ions.There exist some fissures and holes between F ~ - ions and Li ~ + ions. There are mainly two kinds of ionic types: the complex ions like DyF_n ~ (3-n) clusters with the central Dy ~ (3+) ions (the main ionic clusters are octahedral complex ions like DyF_6 ~ (3 -)) and the “free” Li ~ ions.Moreover, somecomplex ions like DyF_n ~ (3-n) clusters are connected to one another by flourine-bridge, forming more compli- cated ionic clusters like Dy_m ~ (3m-n) F_n.By calculating the potential energies of all types of ions, it is concluded that Li ~ + ions have the highest potential energy in the molten system, which are current-carrying ions in the electrolysis conduits .