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用Ｂｕｓｉｎｇ离子间势对ＹＣＣｌ＿３熔盐作分子动力学计算机模拟，得到的偏径向分布函数与中子衍射实验测量结果大致符合。Ｃｌ－Ｙ－Ｃｌ的角度分布表明熔体中存在类似正八面体结构或其“碎片”。
Using Busing ion potential on YCCl_3 molten salt as a molecular dynamics simulator, the calculated radial distribution function is in good agreement with the neutron diffraction experimental results. The angular distribution of Cl-Y-Cl indicates the presence of a similar octahedral structure or “debris” in the melt.