由於液態金屬鉍的結構異常，引起了本論文的研究動機。首先，用GEINMP
理論與硬球模型理論分別建立虛位能，以分子動力學模擬的方法求得結構
因子S(q)及徑向分佈函數 g(r)，並與實驗結果相比較。本論文並引入 S.
Natio和 I.Yokoyama所提的位能修正項，配合上述執行分子動力學模擬所
得結果，再次以分子動力學模擬的方法來求得徑向分佈函數g(r)及結構因
子S(q)並與實驗結果相比較。本論文並進一步修正Natio和Yokoyama所提
的位能修正項以試圖使由分子動力學模擬所得結果g(r)及對應之S(q)更接
近實驗結果，並針對所使用的有效配對位能V(r)做探討。

The structure inhomogeneity of liquid Bi in Molecular dynamics
simulation(MD) have studied in this work. The GEINMP and soft
hard sphere model potential are used as the pseudopotential in
the simulation, respectively. The effective potentials which
are modified the tail part suggested by Natio and Yokoyama are
also considered in the simulation. The shoulder in high q part
of the first peak of S(q) as the experimental results is
reproduced in our simulation. The relation between the g(r) and
the effective potential is also discussed.