臺灣博碩士論文加值系統

本研究試圖利用分子動力學 (MD) 模擬來更好地理解銅基板上冷噴塗 (CS) 過程
中金多粒子的變形和混合。 這項工作研究了馮米塞斯應力 (VMS)、Au 和 Cu 之間
的混合以及 Au 顆粒直徑、衝擊速度和表面狀況的變形行為等物理特性。 研究結果
表明，界面區主要是沉積後高應力區、結構蝕變和位錯集中的地方。 此外，研究
表明，較大程度的表面粗糙度或紋理會導致金顆粒和銅基板之間的混合、扁平率和
結合增加。 入射速度從 400 增加到 1000 m/s 會導致穿透深度、Au-Cu 結合和變形
率顯著增加。 有趣的是，提高變形率涉及降低顆粒尺寸。 此外，具有較大衝擊速
度的顆粒在冷噴塗過程中表現出更強的夯實作用，導致塗層滲透和隨後的基材損壞
的風險更大。

This study attempts to provide a better understanding of the deformation and mixing of
an Au multi-particle during a cold spray (CS) procedure on a Cu substrate Using molecular
dynamics (MD) simulation. This work investigates the physical properties such as von
Misses stress (VMS), intermixing between Au and Cu, and deformation behaviors on the
diameter, impact speed, and surface conditions of Au particles. The findings imply that the
interfacial zone is primarily where the high-stress zone, structural alteration, and
dislocation concentrate following deposition. Furthermore, the investigation revealed that
a larger degree of surface roughness or texture results in increased intermixing, flattening
ratio, and bonding between the Au particle and Cu substrate. Increases in incident velocity
from 400 to 1000 m/s result in notably greater penetration depth, Au-Cu bonding, and
deformation rate. It's interesting to note that improving the deformation rate involves
lowering the particle size. Furthermore, particles with a greater impact velocity displayed
a stronger tamping action during cold spray, resulting in a larger risk of coating penetration
and subsequent substrate damage.

摘要 .................................................................................................................. i
Abstract ........................................................................................................... ii
Acknowledgments ......................................................................................... iii
Contents ......................................................................................................... iv
List of abbreviations and symbols ................................................................. vi
List of figure captions ................................................................................... vii
Chapter 1 Introduction .................................................................................... 1
1.1 Overview .................................................................................................1
1.2 Thesis Objectives ....................................................................................4
1.3 Thesis Outline .........................................................................................4
Chapter 2 Literature Review ........................................................................... 5
2.1 Cold spray process ..................................................................................5
2.2 Cold spray principle ................................................................................8
Chapter 3 Simulation Method ......................................................................... 9
3.1 Simulation model ....................................................................................9
3.2 Interatomic potentials .......................................................................... 12
3.3 Gold multi-particle on copper surfaces via cold spray ........................ 13
3.4 The software for the simulations ......................................................... 13
Chapter 4 Results and Discussions ............................................................... 17
4.1 Effect of different particle sizes........................................................... 17
4.2 Effect of impact velocity ..................................................................... 23
4.3 Effect of number particle ..................................................................... 27
4.4 Effect of textured surface .................................................................... 30
v
4.5 The comparison between previous MD simulation and experimental
results .................................................................................................... 39
Chapter 5 Conclusion and Future Work ....................................................... 40
5.1 Conclusion ........................................................................................ 40
5.2 Future Work ......................................................................................... 41
Reference ...................................................................................................... 42
Curriculum vitae ........................................................................................... 48

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