本論文以分子動力學（Molecular Dynamics，MD）理論作為基礎，採用氬純元素系統模型與Lennard-Jones 勢能，來進行非晶固體再結晶機制之研究。本文設定一個快速固化環境，與面心立方結構之晶種基版在不同的基版溫度條件下，觀察模擬系統其再結晶過程中模型的溫度分佈變化曲線、再結晶曲面之表面形貌變化（粗糙度）、再結晶曲面移動高度與晶種基版溫度之間的關係，並標定出三維系統之結晶態與非晶態區交界面層狀區域與其厚度之變化情況，此三維系統層狀區域之研究方法與結果有別於前人之研究，以往多採取將三維模型系統中非晶態區與結晶態區之交界面視為二維界面來簡化模型，或是僅設定二維模型系統進行交界區域之界定等研究議題。本文以三維空間的方式定義此結晶態與非晶態交界區域，並藉由動態觀察此區之移動與再結晶連續生長過程，可以得知再結晶之溫度差異越小，再結晶速率越慢，再結晶交界層厚度越
大，再結晶曲面之粗糙度越大。

In this paper, the mechanism of amorphous solid recrystallization has been carried out sing molecular dynamics (MD) simulations. The imulated model is filled with Argon atoms and the Lennard-Jones potential is employed to calculate the nteractions between Argon atoms. Based on the conditions of the specific rapid solidification and F.C.C. crystal substrate under the different temperature, we have examined some significant data, such as temperature variation as a function of time,recrystallization velocity, recrystallization surface's roughness, recrystallization surface moving velocity, radial distribution function (RDF) of crystal zone, amorphous zone and coexisting zone. Besides, the thickness of crystal and amorphous coexisting one and it’s variation are also defined. This result is compared to previous reports which mostly the coexisting surface is defined a plane surface in simulated system. Finally, the moving of ecrystallization surface and the continuous recrystallization growth have been observed, the results shown that the decreasing of the ecrystallization temperature led to the slow velocity of recrystallization, meanwhile, the thickness of crystal and amorphous coexisting zone, and the roughness of recrystallization surface are decreasing.

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