液態鋰的動力學性質研究

Abstract

2000年時，一篇利用非彈性X光散射實驗研究液態鋰的文獻被發表。本論文的第一個目的是比較我們的模擬計算結果與此篇文獻的實驗結果，以了解我們模擬系統的真實性。另一方面，利用瞬間正則模分析液態鎵的研究結果中，發現在低頻時存在著瞬間共振模的振動模式。本篇論文的第二個目的則是利用瞬間正則模分析研究液態鋰。在分析的結果中，液態鋰並沒有發現到瞬間共振模的存在。

A paper about inelastic X-ray scattering of liquid lithium has been published. In this thesis, we have performed the MD simulations of liquid lithium and calculated the spectrum of inelastic X-ray scattering to compare with the experimental results. Then we can understand how good the model we simulate is. Secondly, the instantaneous normal mode analysis has been used to study liquid gallium, and the results show the existence of the instantaneous resonant modes, which are low frequencies, in liquid gallium. We use the same analysis to study liquid lithium for searching the low frequency instantaneous resonant modes, and we don’t find instantaneous resonant modes in liquid lithium.