臺灣博碩士論文加值系統

本論文採用分子動力學方法對Ni(001)基板上的合金薄膜進行研究。研究了基材的成分、事变角度和溫度對混频、表面形貌、結構成分和殘留應力的影響。隨著銅比例從55%降低到10%，薄膜的表面粗糙度增加。此外，薄膜表面的粗糙度在 30∘處達到最大值。然而，在較高溫的基板溫度下薄膜的表面粗糙度降低。 CuFeAlCr原子和Ni原子之間的混频發生於界面區。混频比例受鍍膜過程中的成分和事变角度的影響比例受鍍膜過程中的成分和事变角度的影響。當基板溫度上升時，混频比例上升。有趣的是，在塗層過程中，形成了 CuFeAlCr 薄膜的晶體結構。通過降低銅比例來改善薄膜的晶體結構。相比之下，它隨著 Ni樣品溫度的升高而降低。Cu25Fe25Al25Cr25薄膜的平均雙軸應力和平均法向應力隨著入射角的增加只有很小的變化。然而，Cu25Fe25Al25Cr25薄膜的平均雙軸向應力會隨著溫度的升高而增加。
此外，還通過壓痕研究了Co50Ni50薄膜厚度和負載速度對樣品力學性能和變形行為的影響。結果表明，退火後薄膜的混频和晶體結構獲得增強。此外，當膜厚從18Å增加到 38Å 時，Co50Ni50樣品的結構轉變速率和錯位密度隨薄膜變厚而降低。有趣的是，Co50Ni50 樣品在溝槽表面的塑性變形率和錯位密度高於平坦樣品。此外，加載速度的增加會引起塑性變形和局部應力率。如果負載速度足夠高，Co50Ni50 樣品的錯位密度會降低。
在 CuxNi100-x 薄膜中具有不同成分的 Ni(001) 襯底上的 Cu 和 Ni 原子的沉積過程。在納米壓痕過程中研究了 CuxNi100-x/Ni 襯底的機械特性。當溫度參數變化時，還研究了納米壓痕過程中的變形行為。有趣的是，CuNi 合金的晶格常數隨著 CuNi 合金中 Cu 含量的增加而增加。在不同的Cu原子含量的情況下，CuxNi100-x/Ni基板的受力、硬度隨著Cu含量的增加而降低。剪切應變區域隨著加載過程後溫度的升高而增加。 Cu40Ni60/Ni基體的受力和硬度會隨著溫度的升高而降低。而錯位密度隨著加載過程後壓痕深度的增加而增加。

In this thesis, the molecular dynamics method is imperilled to investigate the alloy film on Ni(001) substrate. The effects of compositions, incident angle, and temperature of the substrate on the intermixing, surface morphology, structure composition and residual stress are studied. The surface roughness of the film increases as the Cu ratio decreases from 55 to 10%. Besides, the roughness of the film surface achieves the maximum value at 30o. However, the surface roughness of the film decreases at a higher substrate temperature. The intermixing between Cu-Fe-Al-Cr atoms and Ni atoms happens at the interfacial zone. The intermixing rate is affected by the composition and incident angle in the coating process. The intermixing rate rises when rising the temperature of the substrate. Interestingly, during the coating process, the crystal structure of the CuFeAlCr film is formed. The crystal structure of the film is improved by decreasing the Cu ratio. In comparison, it reduces with the higher temperature of the Ni sample. The average biaxial stress and average normal stress of the Cu25Fe25Al25Cr25 film only have minor changes when increasing the incident angle. However, the average biaxial stress of the Cu25Fe25Al25Cr25 film increases as raising the temperature.
In addition, the effects of the Co50Ni50 film thickness and loading velocity on the mechanical properties and deformation behaviours of the sample are also surveyed by indentation. The results represent that the intermixing and lattice structure of the film is enhanced after annealing. Moreover, the sample hardness is improved as the deposited Co50Ni50 film when the film thickness rising from 18 to 38 Å. In contrast, the structure transformation rate and dislocations density of the Co50Ni50 sample decrease when the film becomes thicker. Interestingly, the plastic deformation rate and dislocation density of the Co50Ni50 sample at the trench surface are higher than the flat one. Besides, the increase of the loading velocity gives rise to the plastic deformation and the local stress rates. The dislocation density of the Co50Ni50 sample is reduced if the loading speed is high enough.
In the deposition process of Cu and Ni atoms on the Ni (001) substrate with the different compositions in the CuxNi100-x film. The mechanical characteristics of CuxNi100-x/Ni substrate are investigated during the nanoindentation process. The deformation behavior in the nanoindentation process is also investigated when the parameter for temperature changes. Interestingly, the lattice constant of CuNi alloy increases as Cu content in CuNi alloy rising. In the case of different contents of Cu atoms, the force, hardness of the CuxNi100-x/Ni substrate reduce as increasing the content of Cu. The shear strain region increase as increasing the temperature after the loading process. The force and hardness of the Cu40Ni60/Ni substrate reduce as increasing the temperature. While the dislocation density increases as increasing the indentation depth after the loading process.

摘要　i
ABSTRACT　iii
Acknowledgments v
Contents　vi
List of symbols viii
List of table captions x
List of figure captions xi

Chapter 1 Introduction 1
1.1 Overview　1
1.2 Thesis Objectives　2
1.3 Thesis Outline　3

Chapter 2 Literature review　4
2.1 Alloy coatings and mechanical properties studies　4

Chapter 3 Simulation model and method　9
3.1 Simulation model of deposition process　9
3.1.1 Cu-Fe-Al-Cr atoms 9
3.1.2 Co-Ni atoms　12
3.1.3 Cu-Ni atoms　14
3.2 Simulation model of indentation process　15
3.2.1 Co50Ni50 alloy film　15
3.2.2 CuxNi100-x alloy film　17
3.3 Method　19

Chapter 4 Results and Discussion　21
4.1 Deposition study　21
4.1.1 Influences of Cu ratio variation in Cux(FeAlCr)100-x film 21
4.1.2 Influences of different Ni substrate temperature in the Cu25Fe25Al25Cr25 film　29
4.1.3 Effects of the various angle in the Cu25Fe25Al25Cr25 film 36
4.1.4 Deposition of Co-Ni atoms onto Ni substrate　43
4.1.5 Coating of Cu-Ni atoms onto Ni substrate　47
4.2 Indentation study of Co50Ni50/Ni, and CuxNi100-x/Ni samples 50
4.2.1 The effect of various Co50Ni50 film thickness　50
4.2.2 The effect of various indenter velocities in Co50Ni50/Ni sample　58
4.2.3 The influence of interface shape in Co50Ni50/Ni sample　66
4.2.4 The influence of various composition in CuxNi100-x films　72
4.2.5 The influence of various temperatures in Cu40Ni60(V)/Ni sample　81

Chapter 5 Conclusions　87

References　90
Curriculum vitae　107
Publication list　108

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