透過飛秒脈衝雷射於單晶銅材缺陷修補奈米空孔、乃至於微小裂縫與缺陷，已證實是未來修補各種固態材料內部結構之重要技術。本文提出一套分子動力學方法模擬飛秒雷射退火過程對單晶銅材內部缺陷修補之理論流程並提出改善修補效率的方法。
本文前半段以分子動力研究飛秒雷射誘生單晶銅材內部缺陷修補，使用了標準Morse勢能函數並結合無反射動力邊界技術，模擬孔與狹縫缺陷情形，透過差排理論進行視覺化特性分析與展現，並應用連體與原子等級結合式的模擬方法，探索微觀模擬的暫態現象與差排演化的過程，同時經由各物理量的展現，適度的評估修補效率，以提出此製程技術之修補效率與改善條件。透過各種不同能量密度下脈衝寬度的雷射加工入射角，材料受壓變形之機械及熱應力與勢能動力關係，並且進一步對提昇修補效率之實作特性與能量轉化，提出最佳製程效能之最適方案。
本文後半段則是針對顯著因子彼此間高度非線性關係對於修補效率的影響，提出完整耦合系統修補效率模型，透過統計科學之推估與模擬，並且以部分因子設計篩選實作中影響修補效率的顯著因子，採用完全因子鍵別顯著因子之主要與交互作用對修補效率的影響，以及這些顯著因
子效應在製程中之能量分配與高效製程之最適安排，並與未實驗設計修補效率數值作比對，若是效率無顯著的提昇，再一次搜尋出額外影響系統的顯著因子，並且建構高效精省模型。針對單晶銅材內部缺陷最低成本與最速修補訴求條件下，應用已建構完整耦合系統修補效率模型，並且來回疊代作修正，以建構出降低單晶銅材內部缺陷修補成本與提昇單晶銅材內部缺陷修補效率為訴求的精省回歸模型。

The objective of this thesis is to investigate the efficiency enhancement of finding defects mending inside the single crystal copper. The femtosecond Pulse Laser(FSPL) has emergeced on an important techniques for mending of various internal structures for solid material in recent year. In the context, the molecular dynamics simulation of defect mending in device of single crystal coppers by fentosecond plus laser(FSPL) is presented, elaborated and validated. At the end, the efficiency improvent of mending approaches are presented and compared via experimental desige technique.
In the first part of the study, molecular dynamics simulation research on defect mending in devices of single crystal coppers by femtosecond plus laser seconds, using standard Morse potential energy function and combined non-reflecting dynamic boundary technique, Simulation of regular and irregular defect cases, through Visual analysis based on Dislocation theory and demonstrated, and conjoined with atomic level simulation of combined method, explore the microscopic simulation of transient phenomena and processes of differential evolution of row, at the same time by the physical quantity display moderate repair efficiency assessment in order to make this patch of process technology efficiency and improve conditions. Through a variety of different energy density pulse width laser processing of incident angle, mechanical and thermal stress of the material compressive deformation and energy power relations and further in enhancing the efficiency of repair of real property and conversion of energy, best processes effectiveness most suitable programmes.

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