本研究利用分子動力學模擬，探討接合面粗糙度、黏著劑與黏著物之
間的接著強度與黏著劑厚度等，對於黏著接合強度及破壞模式之影響。經 由模擬分析的結果，可以歸納出以下幾點結論：
1. 當承受拉伸負載時，增加黏著物與黏著劑之間的接著強度ump，可以使 得黏著接合破壞模式由接合面破壞轉為黏著劑破壞，並且可以大幅提升 拉伸強度。
2. 當承受拉伸負載且破壞模式為接合面破壞時，因為粗糙表面會對黏著劑 產生應力集中的現象，使得拉伸強度下降。相對地，黏著劑厚度則與拉 伸強度無明顯關聯。
3. 當承受拉伸負載且破壞模式為黏著劑破壞時，在接合面為平滑表面(R=0) 或低粗糙度表面(R=0.2)的情況下，其拉伸強度並無太大的差異。但是當
粗糙度R=0.4時，其拉伸強度便有明顯的下降，此現象與黏著劑的分子
密度分佈有關。當粗糙度較高時，黏著劑無明顯的高密度區域，因此當 黏著劑內部產生孔洞時，其結構阻止孔洞擴張的能力較差，連帶降低黏 著接合拉伸強度。
4. 當承受拉伸負載且破壞模式為黏著劑破壞時，黏著接合拉伸強度會隨黏 著劑厚度增加而下降，其原因是由於黏著劑分子密度分佈的影響，黏著
劑厚度越小，高密度區域占整體黏著劑的比例越高，隨著黏著劑厚度增 加，其高密度比例隨之下降，連帶使得拉伸強度下降。
5. 當承受橫向剪力負載時，由於黏著物的粗糙表面與黏著劑之間的互鎖效 應，粗糙接合面可大幅提升橫向黏著接合剪力強度。當接合面為平滑表
面(R=0)或低粗糙度表面(R=0.2)時，其破壞模式皆為接合面破壞，因此
黏著劑厚度對其橫向剪力強度無明顯的影響。當接合面粗糙度 R=0.4 時，由於金屬與PE 之間的互鎖效應較佳，且黏著劑分子密度分佈較為 均勻，並無多個高密度區，使得破壞模式轉變為黏著劑破壞，且不同厚 度的橫向剪力強度幾乎一致。
6. 當承受縱向剪力負載時，其破壞模式皆為接合面破壞。由於增加接合面 粗糙度，其接觸面積亦隨之增加，因此接合面越粗糙，黏著接合縱向剪 力強度越高。但由於破壞模式均為接合面破壞，因此黏著劑厚度與縱向 剪力強度之間無明顯的趨勢。
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附 表
表2.1 平衡後模擬室的 z 方向邊長
PE 分子鏈數目 R=0 R=0.2 R=0.4
25 80 90 90
33 90 100 100
50 110 120 120
(單位: Å)
表 3.1 黏著劑厚度為 4nm 且金屬與 PE 間接著強度ump =1.0ump0 之拉伸強度
Roughness 0 0.2 0.4
Tensile strength(MPa) 375.74 327.91 342.91
表3.2 黏著物(Al)及黏著劑(PE)材料性質
Al PE
Young’s modulus (GPa) 68.9 3
Poisson’s ratio 0.33 0.4
表3.3 黏著劑厚度為 4nm 之黏著接合拉伸強度 25 0
.
0 ump 1.0ump0 4.0ump0 R=0 95.52 375.74 516.11
R=0.2 77.30 327.91 540.58 R=0.4 65.71 342.91 474.70
(單位:MPa)
表3.4 金屬與 PE 接合面為平滑表面(R=0)的拉伸強度 Adhesive
thickness 0.25ump0 1.0ump0 4.0ump0 3nm 85.92 358.58 559.57
4nm 95.52 375.74 516.11
6nm 100.38 370.45 480.88
(單位:MPa)
表 3.5 金屬與 PE 接合面粗糙度 R=0.2 的拉伸強度 Adhesive
thickness 0.25ump0 1.0ump0 4.0ump0 3nm 72.85 335.32 575.83
4nm 77.30 327.91 540.58
6nm 88.84 332.70 489.66
(單位:MPa)
表 3.6 金屬與 PE 接合面粗糙度 R=0.4 的拉伸強度 Adhesive
thickness 0.25ump0 1.0ump0 4.0ump0 3nm 65.35 341.10 497.18
4nm 65.71 342.91 474.70
6nm 77.14 335.20 458.70
(單位:MPa)
表4.1 金屬與 PE 接著強度ump =1.0ump0 的橫向剪力強度
3nm 4nm 6nm R=0 20.77 32.02 35.60
R=0.2 189.10 171.89 182.88 R=0.4 169.31 169.81 165.57
(單位:MPa)
表4.2 金屬與 PE 接著強度ump =1.0ump0 的縱向剪力強度
3nm 4nm 6nm R=0 20.77 32.02 35.60
R=0.2 44.68 57.33 44.63 R=0.4 68.20 82.90 68.30
(單位:MPa)
附 圖
Distance (Å)
Energy(J)
0
圖 2.1 二體勢能函數其能量與兩顆原子間距離關係圖
r
cr
ij圖2.2 截斷半徑示意圖
i
r
cr
c+Δr
c圖 2.3 Verlet 表列法示意圖
1 2 3
4 5 6
7 8 9
i
圖2.4 Cell link 表列法示意圖
i
C H
H n
圖2.7 聚乙烯單體
r
θφ
(a) (b)
(c)
圖2.8 鍵結能示意圖：(a)延展鍵結勢能(stretch bond)、(b)角度鍵結勢能(angle bond)及(c)扭轉鍵結勢能(torsion bond)
x
z 2A0
(a) (b) λ
圖 2.9 不同粗糙度之金屬接合面：(a)平滑接合面 (b)粗糙接合面
NVT系綜 溫度:1000K
移動兩片金屬板，將直鏈狀的PE分子鏈壓縮混合至適當的密度
NVT系綜 溫度:1000K、600K
時間:各400ps
NPT系綜
溫度:300K、100K、50K、0K 壓力: 0
時間:各400ps
圖2.10 建立黏著接合結構的模擬流程圖
x z
y
圖 2.11 黏著接合壓縮前之初始結構
L0 L
x z
圖2.12 黏著接合結構之拉伸負載
L0
Δw
x,y z
圖2.13 黏著接合結構之剪力負載
x z
y
圖2.14 黏著接合結構之橫向剪力負載
x z
y
圖2.15 黏著接合結構之縱向剪力負載
黏著物(Adherend) 黏著劑(Adhesive)
(a) (b) (c)
圖2.16 黏著接合破壞模式示意圖：(a)黏著劑破壞、(b)接合面破壞、(c)黏著 物破壞
Strain(%)
Strain(%)
Tensilestress(MPa)
0 10 20 30 40
0 50 100 150 200 250 300 350 400
R=0 R=0.2 R=0.4
圖3.3 黏著劑厚度 4nm，不同接合面粗糙度之應力-應變圖
(a) (b) (c) (d)
圖 3.4 黏著劑厚度為 4nm 之平滑接合面(R=0)黏著接合受拉伸負載之變形 圖，其應變分別為(a)0%、(b)10.1%、(c)12%及(d)40%
(a) (b) (c) (d)
圖3.5 黏著劑厚度為 4nm 之粗糙接合面(R=0.2)黏著接合受拉伸負載之變形 圖，其應變分別為(a)0%、(b)8.6%、(c)12%及(d)40%
(a) (b) (c) (d)
圖3.6 黏著劑厚度為 4nm 之粗糙接合面(R=0.4)黏著接合受拉伸負載之變形 圖，其應變分別為(a)0%、(b)10.4%、(c)14%及(d)40%
圖 3.7 黏著劑厚度為 4nm 之金屬與 PE 分離起始位置示意圖
20Å
40Å
20Å
48.6Å Pressure (P)
Pressure (P) Adherend
Adhesive
Adherend x
y
圖 3.8 有限元素模型的幾何及邊界條件
A
B
x y
圖 3.9 有限元素分析之接合面粗糙度 R=0.2 的 y 方向應力(σyy)
A B
x y
圖3.10 有限元素分析之接合面粗糙度 R=0.4 的 y 方向應力(σyy)
(a) (b) (c)
crack
crack crack
圖3.11 含裂紋之黏著接合模型 (a)裂紋位於平滑接合面的上層金屬與 PE 之 間(b)裂紋位於粗糙接合面的上層金屬波峰與 PE 之間 (c)裂紋位於粗糙接合
面的上層金屬波谷與PE 之間
crack
crack
圖3.12 裂紋位於上層金屬波谷與 PE 間之黏著接合有限元素模型網格
δ
aStrain =0% Strain =10% Strain =20% Strain =30% Strain =40%
(a)
(b)
(c)
圖3.15 黏著劑厚度為 4nm 且ump =0.25ump0 之黏著接合受拉伸負載之變形 圖，(a)R=0、(b)R=0.2 及(c)R=0.4
Strain =0% Strain =10% Strain =20% Strain =30% Strain =40%
(a)
(b)
(c)
圖3.16 黏著劑厚度為 4nm 且ump = 4.0ump0 之黏著接合受拉伸負載之變形 圖，(a)R=0、(b)R=0.2 及(c)R=0.4
x
z
1Å 1Åz =0
圖3.17 黏著劑密度之子體積示意圖
Z (Å)
Thickness(nm)
Tensilestrength(MPa)
3 4 5 6
0 100 200 300 400 500 600 700
4.0u0mp 1.0u0mp 0.25u0mp
圖3.19 平滑接合表面之黏著劑厚度與拉伸強度關係圖
Z (Å) (a)3nm、(b)4nm 及(c)6nm
Thickness(nm)
Roughness
Shearstrength(MPa)
0 0.1 0.2 0.3 0.4
0 20 40 60 80 100 120 140 160 180 200
圖4.1 黏著劑厚度 4nm，其接合面粗糙度與橫向剪力強度關係圖
Strain =0% Strain =10% Strain =20% Strain =30% Strain =40%
(a)
(b)
(c)
圖4.2 黏著劑厚度為 4nm 之黏著接合受橫向剪力負載，在不同應變下的變 形圖，其接合面粗糙度為(a)R=0、(b)R=0.2 及(c)R=0.4
(a) (b)
(a)
Roughness
Shearstrength(MPa)
0 0.1 0.2 0.3 0.4
0 10 20 30 40 50 60 70 80 90 100
圖4.6 黏著劑厚度 4nm，其接合面粗糙度與縱向剪力強度關係圖
Strain =0% Strain =10% Strain =20% Strain =30% Strain =40%
(a)
(b)
圖4.7 黏著劑厚度為 4nm 之黏著接合受縱向剪力負載，在不同應變下的變 形圖，其接合面粗糙度為(a)R=0.2 及(b)R=0.4
Thickness(nm)
Shearstrength(MPa)
3 4 5 6
0 10 20 30 40 50 60 70 80 90 100
R=0.4 R=0.2 R=0
圖4.8 不同接合面粗糙度，其黏著劑厚度與縱向剪力強度關係圖