臺灣博碩士論文加值系統

利用蒙地卡羅法模擬二維奈米粒子膠體溶液乾燥過程中於基板上形成的自組成現象，藉由改變不同的參數探討自組成對展透現象的影響，並藉由多次的模擬得到此機制下展透門檻值的極限。因為展透現象是與粒子的連接有關係，所以在自組成過程中，我們藉由統計粒子彼此間的連接數來分析自組成結構的變化。

We use a square lattice gas model with the Monte Carlo method to simulate two-dimensional drying-mediated self-assembly of nanoparticles from colloidal solution. Discuss the self-assembly of nanoparticles upon the percolation by the change different parameter, in this research work, we analyze the upper and lower limits of the percolation transition threshold in two-dimensional self-assembly of nanoparticles. In the process of the self-assembly of nanoparticles, we by statistics nanoparticles each other the number of the linking of to analyze the variety of self-assembly of nanoparticles structure.

摘要............................................................................................................I
英文摘要...................................................................................................II
致謝..........................................................................................................III
目錄..........................................................................................................IV
圖目錄.......................................................................................................V
第一章 前言..............................................................................................1
第二章 理論..............................................................................................3
2.1蒙地卡羅法模擬...........................................................................3
2.2 展透理論......................................................................................8
第三章 結果與討論.................................................................................11
3.1 自組成的模擬果........................................................................11
3.2 自組成下的展透現象................................................................14
3.3 網路狀粒子自組成下的展透現象............................................18
3.4 加入斜向移動及次近鄰能交互作用能的自組成模擬............23
3.5 加入修正項後的網狀結構自組成下的展透現象....................29
3.6 粒子自組成結構的探討............................................................32
第四章 總結............................................................................................52
第五章 參考文獻....................................................................................54
Fig 2.1 模型示意圖.................................................................................4
Fig 2.2 機率分佈函數的功用示意圖.....................................................5
Fig 2.3 粒子移動示意圖.........................................................................6
Fig 2.4 平面格點陣列.............................................................................8
Fig 2.5 叢集示意圖.................................................................................8
Fig 2.6 點展透模型示意圖.....................................................................9
Fig 2.7 鍵展透模型示意圖.....................................................................9
Fig 2.8展透現象示意圖..........................................................................10
Fig 3.1 自組成模擬的過程.....................................................................12
Fig 3.2 自組成模擬的過程(網狀)..........................................................13
Fig 3.3 自組成模擬的結果(粒徑5)........................................................14
Fig 3.4 自組成模擬的結果(粒徑4)........................................................15
Fig 3.5 自組成模擬的結果(粒徑3)........................................................15
Fig 3.6 自組成模擬的結果(粒徑2)........................................................16
Fig 3.7 自組成模擬的結果(粒徑1)........................................................16
Fig 3.8 導通率與覆蓋率的曲線圖(粒徑1-5) .......................................17
Fig 3.9 自組成模擬的結果(網狀) (粒徑5).............................. .............18
Fig 3.10 自組成模擬的結果(網狀) (粒徑4)..........................................18
Fig 3.11 自組成模擬的結果(網狀) (粒徑3)..........................................19
Fig 3.12 自組成模擬的結果(網狀) (粒徑2)..........................................19
Fig 3.13 自組成模擬的結果(網狀) (粒徑1)..........................................19
Fig 3.14 最低覆蓋率下有展透現象之自組成結果.............................. 20
Fig 3.15 方型結構...................................................................................21
Fig 3.16 模擬的過程(網狀) (粒徑1)......................................................22
Fig 3.17次近鄰位置示意圖....................................................................23
Fig 3.18 斜向移動模擬結果(最近鄰：次近鄰＝1：1).........................24
Fig 3.19 斜向移動模擬結果(最近鄰：次近鄰＝1：1/√2 )........................25
Fig 3.20 斜向移動模擬結果(最近鄰：次近鄰＝1/√2：1)........................26
Fig 3.21 斜向移動模擬結果(最近鄰：次近鄰＝1/(2√2)：1)........................27
Fig 3.22 有斜向移動與無斜向移動的結果比較...................................28
Fig 3.23 斜向移動自組成下的展透現象之自組成結果(粒徑3)..........29
Fig 3.24 斜向移動自組成下的展透現象之自組成結果(粒徑1)......... 30
Fig 3.25 斜向移動自組成下的展透現象之自組成結果(粒徑3)
(最低覆率)…...........................................................................................31
Fig 3.26 n0-n4曲線變化圖(ε_n=2kT,ε_l=1kT,ε_nl=1.5kT)........33
Fig 3.26.2 n0-n4曲線變化圖(ε_n=2kT,ε_l=1kT,ε_nl=1.5kT)
(溶劑不蒸發) ........................................................................................34
Fig 3.27 n0-n4曲線變化圖(ε_n=2.5kT,ε_l=1kT,ε_nl=1.5kT).......35
Fig 3.27.2 n0-n4曲線變化圖(ε_n=2.5kT,ε_l=1kT,ε_nl=1.5kT)
(2).............................................................................................................36
Fig 3.28 粒子自組成形貌(ε_n=2.5kT,ε_l=1kT,ε_nl=1.5kT)...........36
Fig 3.29 n0-n4曲線變化圖(ε_n=1.5kT,ε_l=1kT,ε_nl=1.5kT).......37
Fig 3.29.2 n0-n4曲線變化圖(ε_n=1.5kT,ε_l=1kT,ε_nl=1.5kT)(2)..................................................................................................38
Fig 3.30 粒子自組成形貌(ε_n=1.5kT,ε_l=1kT,ε_nl=1.5kT)...........38
Fig 3.31 n0-n4曲線變化圖(ε_n=2kT,ε_l=1kT,ε_nl=2kT).............39
Fig 3.21.2 n0-n4曲線變化圖(ε_n=2kT,ε_l=1kT,ε_nl=2kT)(2).....................................................................................................40
Fig 3.32 粒子自組成形貌(ε_n=2kT,ε_l=1kT,ε_nl=2kT).................40
Fig 3.33 n0-n4曲線變化圖(ε_n=2kT,ε_l=1kT,ε_nl=1kT).............42
Fig 3.33.2 n0-n4曲線變化圖(ε_n=2kT,ε_l=1kT,ε_nl=1kT)(2).....................................................................................................42
Fig 3.34 粒子自組成形貌(ε_n=2kT,ε_l=1kT,ε_nl=1kT).................43
Fig 3.35 不同覆蓋率下, 改變ε_n的自組成形貌示意圖........................44
Fig 3.36 不同覆蓋率下，改變ε_n的平均粒子連接數(n ̅)示意圖............45
Fig 3.37 改變ε_n，在不同覆蓋率下其n ̅的變化曲線圖...........................47
Fig 3.38不同化學能下的n ̅變化曲線圖..................................................50
Fig 3.39不同溫度下的n ̅變化曲線圖......................................................51

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