臺灣博碩士論文加值系統

本研究使用分子動力學(MD)模擬奈米晶NiCoCrFe合金在奈米刮痕及奈米壓痕下探討合金的加工和變形特性。本文研究了初始表面粗糙度、成分、晶粒尺寸(GS)、切削深度、切削速度和溫度對NiCoCrFe合金在刮痕加工下的變形行為和次表面破壞的影響。在切削過程中去除原子的能力取決於合金成分及晶粒尺寸。當Ni、Co成分保持不變，最大切削力和平均摩擦係數隨著Fe成分從40 %降低到24 %而降低，然後隨著Fe成分繼續降低到20 %呈現反向增加。最大法向力和平均 VMSS 隨 Fe 成分的增加而增加。此外，差排隨著Co成分的增加而增加，導致切削過程效率降低與磨損原子數減少。其原因是較高的Co含量會阻礙差排運動並降低材料的堆疊層錯能。變形機制結果顯示晶界結構有效阻止差排傳播和堆疊層錯的發展。 且晶界還充當釋放熱殘餘應力以幫助降低切削力的中間路徑。隨著平均晶粒尺寸增加到81 Å，磨損原子的數量明顯增加，然後隨著晶粒尺寸持續增加到108 Å而減少。NiCoCrFe的硬度隨著升溫增加的楊氏模數而降低，由於晶界處的原子強烈振盪導致寬晶界的增加，此現象減少對外力的抵抗力。

The representation of the nanocrystalline NiCoCrFe alloy is employed to investigate machining and deformation characterization alloy through nanoscratching and nanoindentation processes using molecular dynamics (MD) simulation. The effect of initial surface roughness, composition, grain sizes (GSs), cutting depths, cutting velocity, and temperature on the deformation behaviors and subsurface damages of scratched NiCoCrFe alloys are examined. The ability to remove atoms during the cutting process depends on the alloy composition and GSs. When Ni, Co compositions are kept constant, the maximum tangential force and average friction coefficient decrease as decreasing Fe composition from 40% to 24%, then that inverse increase as continuous decrease Fe composition to 20%. Maximum normal force and average von Mises stress increase with increasing percentage composition of Fe. Besides, the dislocation increases with the Co composition increase leading to a reduction in the efficiency of the cutting process or reducing the number of worn atoms. The reason is that the higher Co content results hinder dislocation movement and reduce the stacking fault energy of the material. The deformation mechanism presents that GBs keep a vital act in barring the propagation dislocation and the development of stacking fault. The GBs also act as an intermediary path to release thermal residual stresses to help reduce cutting force. Interestingly, the number of worn atoms clearly increases as increasing average GS to 81 Å, then decreases as continuously increasing GS to 108 Å. The hardness decreases while young’s modulus of NiCoCrFe increases as increasing temperature due to the atoms at GB strongly oscillating leading to an increase in the wide GB, which decreases resistance to external forces.

Contents
摘要 ................................................................................................................................. iv
ABSTRACT .................................................................................................................... v
Acknowledgments ......................................................................................................... vii
Contents .......................................................................................................................... ix
List of figure captions .................................................................................................. xiv
List of figure captions ................................................................................................... xv
Chapter 1 Introduction .................................................................................................. 1
1.1 Overview .................................................................................................................. 1
1.2 Thesis objectives ........................................................................................................ 2
1.3 Organization of the dissertation .................................................................................. 3
Chapter 2 Literature review .......................................................................................... 4
2.1 The deformation behavior and machining mechanism of high entropy alloy ............ 4
Chapter 3 Methodologies ............................................................................................... 8
3.1 Scratching and indentation simulation model Ni-Co-Cr-Fe alloys ............................ 8
3.2 Interatomic Potentials. .............................................................................................. 13
3.3 Method for simulation .............................................................................................. 15
Chapter 4 Results and Discussion ............................................................................... 18
4.1 Studying nanocrystalline NiCoCrFe alloys scratching phenomenon ....................... 18
4.1.1 Effect of initial surface roughness ..................................................... 18
4.1.2 Effect of various alloy compositions ................................................. 26
4.1.3 Effect of various grain sizes .................................................................. 40
4.1.4 Effect of various cutting depths ............................................................. 52
4.1.5 Effect of cutting velocity ................................................................... 62
4.2 Studying polycrystalline Ni25Co25Cr25Fe25 alloys indentation phenomenon ........... 63
4.2.1 Effect of indentation depth ................................................................ 63
4.2.2 Effect of temperature ......................................................................... 65
4.2.3 Effect of indentation velocity ............................................................ 67
4.3 Summary and comparison ........................................................................................ 69
Chapter 5 Conclusions and future work .................................................................... 72
5.1 Conclusions .............................................................................................................. 72
5.2 Future work .............................................................................................................. 74
References...................................................................................................................... 75
Curriculum vitae .......................................................................................................... 91
Publication list .............................................................................................................. 92

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