臺灣博碩士論文加值系統

本研究利用多尺度方法模擬鎳與銅兩種材料間的接觸效應。研究結果表明接合深度對於接合應力並無明顯的影響，同時在[-110][111]方向性具有最高的接合應力。而搭接效應的結果發現，在搭接長度2.5 nm時，有較高的搭接應力值，然而與接合效應的結果不同是，方向性對於搭接應力的影響不大。最後在小尺寸的接合中，接觸深度對於接合應力有顯著的影響，然而方向性的效應卻與大尺寸不同，這是因為尺度上的影響使方向性效應並不顯著。最後分子動力學模擬的結果發現奈米線拉伸在最佳方向性[-110][111]與多尺度方法的數值相當接近，能驗證接合的結果相當接近材料本身的性質。然而在[110][001]與[111][-110]方向性多尺度方法與分子動力學的結果相差相當的大，這是因為多尺度的接合過程中，基板底部有非常嚴重的應變影響區域，此一現象造成了接合過程中的降伏延遲與應力上升。因此最終結果表明，奈米線接合中材料方向性影響劇烈，且接合的最佳深度需要進行測試得知。同時一般奈米線中的基板的接觸效果也有相當明顯的影響，這在實驗中必須進行考慮。

In this study, the multi-scale method was used to simulate the contact effect between nickel and copper. The results show that the contact depth has a significant effect on the contact stress, and the [-110][111] direction has the highest contact stress. The results of the lap effect show that there is a high contact stress when the lap length is 2.5 nm. However, unlike the result of the jointing effect, the directionality has little effect on the lap stress. Finally, in small-size joints, the contact depth has a significant effect on the contact stress, whereas the directional effect is different from the large size because the effect on the scale makes the directivity effect not significant.The results of the final molecular dynamics simulation show that the nanowires are stretched in the best direction [-110][111] is quite close to the multiscale method, and the results of the bonding are quite close to the properties of the material itself. However, the results of the [110][001] and [111][-110] directional multi-scale methods differ greatly from those of the molecular dynamics, because of the very serious strain at the bottom of the substrate during the multi-scale bonding process Region, this phenomenon caused by the bonding process in the fall delay and stress rise. Therefore, the final results show that the direction of the material in the nanowire bonding is critical, and the optimum depth of the joint needs to be tested. At the same time the general nanowires in the substrate contact effect also has a very significant impact, which must be considered in the experiment.

摘要 ............................................................................................................. i
Abstract ...................................................................................................... ii
誌謝 ........................................................................................................... iii
符號表 ....................................................................................................... iv
目錄 ........................................................................................................... vi
表目錄 ..................................................................................................... viii
圖目錄 ....................................................................................................... ix
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 ......................................................................................... 4
第2章 文獻回顧 ...................................................................................... 5
2.1 銅鎳金屬相關文獻回顧 ................................................................. 5
2.2 奈米接合技術及相關文獻回顧 ..................................................... 6
2.3 奈米壓印技術相關文獻回顧 ......................................................... 7
2.4 奈米表面技術相關文獻回顧 ......................................................... 9
第3章 分子動力學及多尺度理論方法 ................................................ 12
3.1 分子動力學之基本理論 ............................................................... 12
3.1.1 原子間作用力 .......................................................................... 13
3.1.2 勢能函數 .................................................................................. 15
3.1.3 截斷半徑及表列法 .................................................................. 19
3.1.4 週期性邊界條件(Periodic boundary condition, PBCs) .......... 23
3.1.5 最小映像法則(Minimun image criterion, MIC) ..................... 24
3.1.6 參數無因次化 .......................................................................... 25
3.2 多尺度方法介紹 ........................................................................... 26
3.2.1 多尺度方法基本理論 .............................................................. 26
3.2.2 局部區建立及計算:移除自由度 ............................................. 30
3.2.3 非局部區:有效的能量/力量計算 ............................................ 32
3.2.4 局部與非局部區的耦合 .......................................................... 33
3.2.5 局部與非局部區的判斷機制 .................................................. 33
3.2.6 網格自適應方法 ...................................................................... 34
第4章 鎳銅金屬奈米接合特性 ............................................................ 36
4.1 奈米接合效應 ............................................................................... 36
4.2 模擬之物理模型 ........................................................................... 36
4.3 不同接合深度對結合性的影響 ................................................... 43
4.4 不同方向性下對結合性的影響 ................................................... 46
4.5 不同材料間之結合性 ................................................................... 49
4.6 鎳銅金屬奈米對接特性結論 ....................................................... 50
第5章 鎳銅金屬奈米搭接特性 ............................................................ 51
5.1 搭接接合 ....................................................................................... 51
5.2 模擬之物理模型 ........................................................................... 51
5.3 不同長度的搭接效應 ................................................................... 55
5.4 不同方向性的搭接性質 ............................................................... 59
5.5 不同材料間的搭接性質 ............................................................... 64
5.6 鎳銅金屬奈米搭接特性結論 ....................................................... 66
第6章 接合效應之比較 ........................................................................ 67
6.1 接合效應之小尺寸效應 ............................................................... 67
6.2 鎳鋁合金成分之晶格距離分析 ................................................... 75
6.3 分子動力學模擬鎳銅之拉伸狀態 ............................................... 76
第7章 結論與未來展望 ........................................................................ 80
7.1 結論 ............................................................................................... 80
7.2 未來展望 ....................................................................................... 82
參考文獻 ................................................................................................... 83
個人簡歷 ................................................................................................... 88

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