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完整後設資料紀錄
DC 欄位 | 值 | 語言 |
---|---|---|
dc.contributor.advisor | 陳俊杉(Chuin-Shan Chen) | |
dc.contributor.author | Jo-Fan Wu | en |
dc.contributor.author | 吳若凡 | zh_TW |
dc.date.accessioned | 2021-06-15T13:35:14Z | - |
dc.date.available | 2018-02-15 | |
dc.date.copyright | 2016-02-15 | |
dc.date.issued | 2015 | |
dc.date.submitted | 2016-01-28 | |
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dc.identifier.uri | http://tdr.lib.ntu.edu.tw/jspui/handle/123456789/51466 | - |
dc.description.abstract | 形狀記憶合金具有別於一般合金的重要力學特性,而這樣的特性是固態之間的相變化所造成的。從更微觀的角度來看,可以發現是微結構的演進過程主宰了這樣的相變行為。近年來,形狀記憶合金中微結構行為的分析已趨近完備,並且已經有許多分子動力學的模型在進行相關的電腦模擬。然而無論是在電腦模擬或者實驗中,由於原子的數量眾多,要區分麻田散體相裡頭的變異體仍然是一項困難的挑戰。本研究提出一得已區分出分子動力學模型中的沃斯田體以及各個麻田散變異體的方法。藉由計算模型中每個晶格的轉變矩陣,就可以找到其相對應的晶體變異體。此方法已經運用在鎳鈦合金中熱致相變的模擬,也已成功得出低溫相中各變異體的體積分率與模擬時間的分布圖;微結構的空間分布情形亦有所記錄。而透過將數個分子動力學模型中的雙晶交界面與兼容條件方程式產生的理論解的比較,可以驗證此方法據有足夠的可靠性。 | zh_TW |
dc.description.abstract | Shape memory alloys (SMAs) behave interesting and important mechanical properties due to the solid-solid phase transformation. These phenomena are dominated by the evolution of microstructures. In recent years, the microstructures in SMAs have been studied extensively and modeled using molecular dynamics (MD) simulations. However, it remains challenging to identify the crystal variants in the simulation results which consist of large amount of atoms. In the present work, a method is developed to identify the austenite parent phase and the monoclinic martensite crystal variants from MD results. The transformation matrix of the lattices is calculated to determine the corresponding crystal variants. Evolution of the volume fraction of the crystal variants and the microstructure in the Ni-Ti SMAs under thermal cycling induced phase transition are examined. The method is validated by comparing several interface normal observed from MD results with the theoretical solutions via the compatibility equation. | en |
dc.description.provenance | Made available in DSpace on 2021-06-15T13:35:14Z (GMT). No. of bitstreams: 1 ntu-104-R02521605-1.pdf: 5908334 bytes, checksum: 4be4678c93442fab782479bbc1b440cb (MD5) Previous issue date: 2015 | en |
dc.description.tableofcontents | 口試委員會審定書 I
Acknowledgement II 中文摘要 III Abstract IV Table of Contents V List of Figures VIII List of Tables XI Chapter 1. Introduction 1 1.1. Background and Motivation 1 1.2. Objective of the Thesis 2 1.3. Organization of the Thesis 3 Chapter 2. Ni-Ti Shape Memory Alloys 4 2.1. Phenomenology of Phase Transition in SMAs 4 2.1.1. Temperature Driven Phase Transition 5 2.1.2. Stress-induced Phase Transition 8 2.1.3. Combination of Temperature and Stress Induced Phase Transition 10 2.2. Phase Diagram and Crystallographic Theory 13 2.2.1. Phase Diagram of Ni-Ti Binary Alloy System 13 2.2.2. Crystallographic Theory 14 2.3. Twinning and Microstructures 15 Chapter 3. Theory and Methodology 17 3.1. Continuum Theory in Crystalline Solids 17 3.1.1. Deformation Gradient 17 3.1.2. Rotation and Stretch: The Polar Decomposition Theorem 19 3.1.3. Link between Lattice and Continuum: The Cauchy-Born Hypothesis 19 3.2. Transformation Matrix: Cubic to Monoclinic-I Phase Transition 20 3.3. Molecular Dynamics Simulations for SMAs 22 3.3.1. Interatomic Potential 22 3.3.2. Modeling Details of Stress-induced Phase Transition 25 3.3.3. Modeling Details of Temperature-induced Phase Transition 27 3.4. Analysis Method for Identifying Martensite Variants and Austenite 28 3.5. Theoretical Solution of Martensite-Martensite Twinning Interface 34 Chapter 4. Results and Discussion 36 4.1. Stress-induced Phase Transition 36 4.1.1. Model 1: Stress-induced Phase Transition at 450K 36 4.1.2. Model 1: Stress-induced Twinning Microstructure 37 4.2. Variation of Volume Fraction 39 4.2.1. Model 2: A General Case Induced by Cooling from 450K to 100K 39 4.2.2. Model 3: A Special Case Cooling from 450K to 100K 40 4.2.3. Model 4: A General Case Heating from 0K to 100K 42 4.3. Evolution of Microstructure 44 4.3.1. Model 2: A General Case Cooling from 450K to 100K 44 4.3.2. Model 3: A Special Case Cooling from 450K to 100K 46 4.3.3. Model 4: A General Case Heating from 0K to 100K 48 4.4. Unexpected Issue Captured in Analyzing Lattice Deformation 49 Chapter 5. Conclusions and future work 51 5.1. Conclusions 51 5.2. Future Work 52 References 54 | |
dc.language.iso | en | |
dc.title | 以分子動力學模擬形狀記憶合金並分辨其麻田散變異體之研究 | zh_TW |
dc.title | Molecular Dynamics Simulation and Crystal Variant Identification of Shape Memory Alloys | en |
dc.type | Thesis | |
dc.date.schoolyear | 104-1 | |
dc.description.degree | 碩士 | |
dc.contributor.coadvisor | 鄒年棣(Nien-Ti Tsou) | |
dc.contributor.oralexamcommittee | 吳錫侃(Shyi-Kaan Wu),舒貽忠(Yi-Chung Shu) | |
dc.subject.keyword | 鎳鈦形狀記憶合金,微結構,相變,分子動力學, | zh_TW |
dc.subject.keyword | Ni-Ti shape memory alloys,Microstructure,Phase transition,Molecular dynamics, | en |
dc.relation.page | 56 | |
dc.rights.note | 有償授權 | |
dc.date.accepted | 2016-01-29 | |
dc.contributor.author-college | 工學院 | zh_TW |
dc.contributor.author-dept | 土木工程學研究所 | zh_TW |
顯示於系所單位: | 土木工程學系 |
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