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In this paper, molecular dynamics method is used to simulate the evolution mechanism of void nucleation, growth and closure of diffusion-welded copper/aluminum bilayer film under cyclic loading condition with a strain-to-width ratio of R = –1. It is found that under cyclic loading condition, the voids mainly nucleate inside the aluminum side of the copper/aluminum bilayer film, and two kinds of evolution modes of voids I and II are found. The void I nucleates at the position of the gap defect produced by the Kirkendall effect when the copper-aluminum diffuses to form the bilayer film. Under this nucleation mode, after the gap defects have become void, the void moves into the area where copper atoms are relatively dense inside the OTHER structure on the aluminum side. When gaps accumulate to form voids, the voids grow at a fixed position. The void II on the aluminum side nucleates at the position of the gap defect formed by overcoming the stair-rod dislocation and then remains motionless in the process of nucleation, growth and closure. Comparing with the void I, the stress corresponding to the nucleation of void II is large, the growth speed of the void II is fast and the size of the void II is slightly large in the process of strain loading. The void II closure speed is also faster in the strain unloading stage. The two kinds of voids have two common characteristics in the process of nucleation, growth and closure. 1) Both kinds of voids nucleate at the position of the gap defect inside OTHER structure on the aluminum side. 2) In the process of voids growth and closure, both kinds of voids have the same shape changes. In the void growth stage, both kinds of voids first grow along the strain loading direction, then expand in the direction perpendicular to the strain loading direction, and finally, the shapes of two kinds of voids tend to become spherical. In the stage of void closure, the two kinds of voids are first compressed into ellipsoidal shape along the strain loading direction, and then disappear from both ends of the void to the center of the void in the direction perpendicular to the strain loading direction. In the subsequent cyclic loading process, none of new voids appears again at the position where the voids disappearred, but the nucleation of voids at other position of gap defect forms inside the other structure located on the aluminum side.
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Keywords:
- molecular dynamics /
- Cu/Al film /
- cyclic load /
- void
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图 1 纳米铜/铝双层膜模型(注: 上层蓝色为铜原子, 下层红色为铝原子)
Figure 1. Cu/Al bilayer films model (The upper blue for copper atoms and the lower red for aluminum atoms).
图 2 纳米铜/铝双层膜在循环载荷作用下应力-时间曲线
Figure 2. Stress-time curve of Cu/Al bilayer films under cyclic loading.
图 3 孔洞Ⅰ: 孔洞形核演化截图(红色代表铝原子, 蓝色代表铜原子) ε分别为(a) 0.0000; (b) 0.0528; (c) 0.0531; (d) 0.0534; (e) 0.0537; (f) 0.0540
Figure 3. Void I: screenshot of the nucleation evolution of the void (red for aluminum atoms, blue for copper atoms), ε is (a) 0.0000; (b) 0.0528; (c) 0.0531; (d) 0.0534; (e) 0.0537; (f) 0.0540.
图 4 孔洞Ⅰ: 孔洞形核演化的原子结构分析截图(红色代表HCP结构, 绿色代表FCC结构, 白色代表OTHER结构) ε分别为(a) 0.0000; (b) 0.0528; (c) 0.0531; (d) 0.0534; (e) 0.0537; (f) 0.0540
Figure 4. Void I: screenshot of the atomic structure of nucleation evolution of the void (red for HCP structure, green for FCC structure, white for OTHER structure), ε is (a) 0.0000; (b) 0.0528; (c) 0.0531; (d) 0.0534; (e) 0.0537; (f) 0.0540.
图 5 ε = 0.0510时, 孔洞Ⅰ: 孔洞形核位置处的位错分析截图(红色原子为HCP结构原子, 紫色为
$\langle 110\rangle/6$ 压杆位错线, 绿色为$\langle 112\rangle/6$ 肖克莱位错线, 深红色为OTHER结构位错线)Figure 5. ε = 0.0510, Void I: screenshot of dislocation analysis at the nucleation position of the void (red atoms are HCP structure atoms, purple represents
$\langle 110\rangle/6$ the stair-rod dislocation line, green represents$\langle 112\rangle/6$ the shockley dislocation line, dark red represents the OTHER structure dislocation line).
图 6 ε = 0.0528时, 孔洞Ⅰ: 孔洞形核位置处的位错分析截图(红色原子为HCP结构原子, 紫色为
$\langle 110\rangle/6$ 压杆位错线, 绿色为$\langle 112\rangle/6$ 肖克莱位错线, 深红色为OTHER结构位错线)Figure 6. ε = 0.0528, Void I: screenshot of dislocation analysis at the nucleation position of the void (red atoms for HCP structure atoms, purple represents
$\langle 110\rangle/6$ the stair-rod dislocation line, green represents$\langle 112\rangle/6$ the shockley dislocation line, dark red represents the OTHER structure dislocation line).
图 7 ε = 0.0537时, 孔洞Ⅰ: 孔洞形核位置处的位错分析截图(红色原子为HCP结构原子, 紫色为
$\langle 110\rangle/6$ 压杆位错线, 绿色为$\langle 112\rangle/6$ 肖克莱位错线, 深红色为OTHER结构位错线)Figure 7. ε = 0.0537, Void I: screenshot of dislocation analysis at the nucleation position of the void (red atoms are HCP structure atoms, purple represents
$\langle 110\rangle/6$ the stair-rod dislocation line, green represents$\langle 112\rangle/6$ the shockley dislocation line, dark red represents the OTHER structure dislocation line).
图 8 孔洞Ⅰ: 孔洞生长演化图(红色代表铝原子, 蓝色代表铜原子) ε分别为(a) 0.0540; (b) 0.0600; (c) 0.0750; (d) 0.0900; (e) 0.1050; (f) 0.1206
Figure 8. Void I: screenshot of the growth evolution of the void (red for aluminum atoms, blue for copper atoms), ε is (a) 0.0540; (b) 0.0600; (c) 0.0750; (d) 0.0900; (e) 0.1050; (f) 0.1206.
图 9 孔洞Ⅰ: 孔洞生长演化的原子结构分析截图(红色代表HCP结构, 绿色代表FCC结构, 白色代表OTHER结构) ε分别为(a) 0.0540; (b) 0.0600; (c) 0.0750; (d) 0.0900; (e) 0.1050; (f) 0.1206
Figure 9. Void I: screenshot of the atomic structure of the growth evolution of the void (red for the HCP structure, green for the FCC structure, white for the OTHER structure), ε is (a) 0.0540; (b) 0.0600; (c) 0.0750; (d) 0.0900; (e) 0.1050; (f) 0.1206.
图 10 扩散后铜和铝原子在拉伸方向(Z轴)的原子浓度分布
Figure 10. Atomic concentration distribution of copper and aluminum atoms in the tensile direction (Z-axis) after diffusion.
图 11 孔洞Ⅰ: 孔洞闭合演化图(红色代表铝原子, 蓝色代表铜原子) ε分别为(a) 0.0906; (b) 0.0606; (c) 0.0306; (d) 0.0006; (e) –0.0294; (f) –0.0444
Figure 11. Void I: screenshot of the closure evolution of the void (red for aluminum atoms, blue for copper atoms), ε is (a) 0.0906; (b) 0.0606; (c) 0.0306; (d) 0.0006; (e) –0.0294; (f) –0.0444.
图 12 孔洞Ⅰ: 孔洞闭合演化的原子结构分析截图(红色代表HCP结构, 绿色代表FCC结构, 白色代表OTHER结构) ε分别为(a) 0.0906; (b) 0.0606; (c) 0.0306; (d) 0.0006; (e) –0.0294; (f) –0.0444
Figure 12. Void I: screenshot of the atomic structure of the closure evolution of the void (red for HCP structure, green for FCC structure, white for OTHER structure), ε is (a) 0.0906; (b) 0.0606; (c) 0.0306; (d) 0.0006; (e) –0.0294; (f) –0.0444.
图 13 孔洞Ⅱ: 孔洞形核位置处
$\left( {\bar 111} \right)$ 面位错与$\left( {1\bar 11} \right)$ 面位错交截形成压杆位错的分析图(只显示HCP原子)Figure 13. Void II: An analytical diagram of the stair-rod dislocation formed by the intersection of
$\left( {\bar 111} \right)$ plane dislocations and$\left( {1\bar 11} \right)$ plane dislocations at the nucleation position of the void (only HCP atoms are shown).
图 14 孔洞Ⅱ: 孔洞形核演化图(红色代表铝原子, 蓝色代表铜原子) ε分别为(a) 0.1050; (b) 0.1155; (c) 0.1158; (d) 0.1161; (e) 0.1164; (f) 0.1167
Figure 14. Void Ⅱ: screenshot of the nucleation evolution of the void (red for aluminum atoms, blue for copper atoms), ε is (a) 0.1050; (b) 0.1155; (c) 0.1158; (d) 0.1161; (e) 0.1164; (f) 0.1167.
图 15 孔洞Ⅱ: 孔洞形核演化的原子结构分析截图(红色代表HCP结构, 绿色代表FCC结构, 白色代表OTHER结构) ε分别为(a) 0.1050; (b) 0.1155; (c) 0.1158; (d) 0.1161; (e) 0.1164; (f) 0.1167
Figure 15. Void Ⅱ: screenshot of the atomic structure of the nucleation evolution of the void (red for HCP structure, green for FCC structure, white for OTHER structure), ε is (a) 0.1050; (b) 0.1155; (c) 0.1158; (d) 0.1161; (e) 0.1164; (f) 0.1167.
图 16 孔洞Ⅱ: 孔洞生长演化截图(红色代表铝原子, 蓝色代表铜原子) ε分别为(a) 0.1170; (b) 0.1173; (c) 0.1179; (d) 0.1182; (e) 0.1185; (f) 0.1206
Figure 16. Void Ⅱ: screenshot of the growth evolution of the void (red for aluminum atoms, blue for copper atoms), ε is (a) 0.1170; (b) 0.1173; (c) 0.1179; (d) 0.1182; (e) 0.1185; (f) 0.1206.
图 17 孔洞Ⅱ: 孔洞生长演化的原子结构分析截图(红色代表HCP结构, 绿色代表FCC结构, 白色代表OTHER结构) ε分别为(a) 0.1170; (b) 0.1173; (c) 0.1179; (d) 0.1182; (e) 0.1185; (f) 0.1206
Figure 17. Void Ⅱ: screenshot of the atomic structure of the growth evolution of the void (red for the HCP structure, green for the FCC structure, white for the OTHER structure), ε is (a) 0.1170; (b) 0.1173; (c) 0.1179; (d) 0.1182; (e) 0.1185; (f) 0.1206.
图 18 孔洞Ⅱ: 孔洞闭合演化截图(红色代表铝原子, 蓝色代表铜原子) ε分别为(a) 0.1203; (b) 0.0906; (c) 0.0756; (d) 0.0606; (e) 0.0456; (f) 0.0306
Figure 18. Void Ⅱ: screenshot of the closure evolution of the void (red for aluminum atoms, blue for copper atoms), ε is (a) 0.1203; (b) 0.0906; (c) 0.0756; (d) 0.0606; (e) 0.0456; (f) 0.0306.
图 19 孔洞Ⅱ: 孔洞闭合演化的原子结构分析截图(红色代表HCP结构, 绿色代表FCC结构, 白色代表OTHER结构) ε分别为(a) 0.1203; (b) 0.0906; (c) 0.0756; (d) 0.0606; (e) 0.0456; (f) 0.0306
Figure 19. Void Ⅱ: screenshot of the atomic structure of the closure evolution of the void (red for HCP structure, green for FCC structure, white for OTHER structure), ε is (a) 0.1203; (b) 0.0906; (c) 0.0756; (d) 0.0606; (e) 0.0456; (f) 0.0306.
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[2] 谢军, 吴卫东, 叶成钢, 黄丽珍, 袁光辉 2004 强激光与粒子束 16 607
Xie J, Wu W D, Ye C G, Huang L Z, Yuan G H 2004 High Pow. Las. Part. Beam 16 607
[3] 谢军, 吴卫东, 杜凯, 郑凤成, 叶成钢, 黄丽珍, 袁光辉 2004 原子能科学技术 38 120
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