本研究使用準連續法(Quasi-continuum, QC)模擬分析銅對銅材料間的接觸效應。使用之材料的方向性為X[110]-Y[001]，X[001]-Y[110]，X[1 ̅10]-Y[111]和X[111]-Y[1 ̅10]分別為上述四組方向性進行接合的研究。藉由改變材料表面形狀，以表面平整與表面粗糙度R_a的形式，探討接合過程中產生的變化及材料成形性的變化。在模擬中使用不同接合深度，其中所帶來之材料內部應力及原子滑移之應變效應，四種方向性下帶來的接合效應有著明顯的不同，且在不同方向性下所產生之原子滑移方向有著顯著的差異。在下基板方向性為X[001]-Y[110]的平整表面所產生的應變區的相較於其他方向性所產生的應變區，有明顯較大的原子滑移範圍。而從方向性X[1 ̅10]-Y[111]中發現，不管下基板表面的表現方式為表面平整或粗糙表面的形式，原子滑移的方向都與其他三種方向性有所不同，原子滑移的方式多了平行滑移的部分，且此方向性的原子滑移方向較其他三種方向性不同。

In this study, the quasi-continuum method (QC) was used to analyze the bonding of Cu-Cu, and the directionality of the material was [110][001] to study the bonding. By changing the shape of the surface of the material, in the form of surface smoothness, regular arrangement (concave blocks) and surface roughness Ra, the changes in the bonding process and the changes in material formability are discussed. Using different bonding depths in the simulation, the internal stress of the material and the strain effect of atomic slippage are brought about. The Contact effect brought about by the four directions is obviously different, and the atomic slippage produced in different directions is different. There is a significant difference in the direction of movement. Compared with the strained regions generated by other directivities, the strained regions generated on the flat surface of the lower substrate with the directionality of X[001]-Y[110] have a significantly larger atomic slip range. From the directionality X[1 ̅10]-Y[111], it is found that no matter the surface of the lower substrate is expressed in the form of surface flatness or roughness surface, the direction of atomic slip is different from the other three directions. The way of atomic slip has more parallel slip parts, and the number of atomic slip directions in this direction is more than that of the other three directions.

摘要 i
Abstract ii
誌謝 iv
目錄 v
圖目錄 vii
表目錄 ix
符號說明 x
第1章 緒論 1
1.1 前言 1
1.2 研究動機與目的 2
1.3 本文架構 3
第2章 文獻回顧 4
2.1 銅金屬與準連續法文獻回顧 4
2.2 奈米接合文獻回顧 7
第3章 準連續法理論 11
3.1 準連續法基本理論介紹[6] 11
3.2 局部區域建立及計算[6] 16
3.3 非局部區域有效計算[6] 17
3.4 局部與非局部區域耦合[6] 19
3.5 局部與非局部區域的判定機制[6] 19
3.6 網格自適應方法[6] 20
第4章 銅對銅之接合模型 21
4.1 模擬之物理模型 21
第5章 結果與討論 28
5.1不同方向性對平坦表面的影響 28
5.2不同方向性對粗糙表面的影響 48
5.3分子動力學對平坦表面的影響 66
第6章 結論與建議 70
6.1 結論 70
6.2 建議與未來展望 71
參考文獻 72
簡歷 81

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