本文討論非彈性碰撞的碰撞理論模型，並在Stopping power理論中所建的能量損失模型中殼層所造成的能量損失中做出一殼層修正，在殼層修正中敘述出一條可以畫出全能量區域都能描述的殼層修正曲線，並且最後模擬帶正電離子撞擊矽晶格的能量變化，也利用現今幾個著名的第一原理計算軟體CPMD和SIESTA，來幫助我們進行量化跟粒子散射的模擬。我們以CPMD模擬聚焦離子束蝕刻過程以分子動力學來進行虛擬的實驗，討論粒子撞擊後的效應與效果。我們在模擬碰撞過程中需要一台計算力強大的電腦，所以我們運用叢集電腦系統來達到計算力的擴充這樣我們就更能模擬現實的情況。

This article is discusses the collision theory of inelastic collisions and energy losses in different media. Stopping power theory models build the energy losses mode of the atom shell. It call shell correction .We described and draw out the full energy region by the shell correction and we simulation the charged ions strike the silicon lattice, al-so used today several first-principles software “CPMD” and “SIESTA” to calculation, to help us simulation the scattering circumstances. We study to simulate focused ion beam etched by molecular dynamics for virtual experiments, so we need a strong computing power of the computer, so we use the cluster computer system to simulate reality case.

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