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研究生: 郭佳柔
Kuo, Jia-Rou
論文名稱: 菊池圖譜與應變誘導差排之關係
Simulation investigation of dislocation structures on induced strain and Kikuchi diffraction pattern.
指導教授: 郭瑞昭
Kuo, Jui-Chao
學位類別: 碩士
Master
系所名稱: 工學院 - 材料科學及工程學系
Department of Materials Science and Engineering
論文出版年: 2026
畢業學年度: 114
語文別: 中文
論文頁數: 143
中文關鍵詞: 電子背向散射繞射菊池圖譜差排應變電子繞射圖譜分析晶格變形
外文關鍵詞: Electron Backscatter Diffraction (EBSD), kikuchi pattern, dislocation induced strain, lattice deformation
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  • 當材料尺寸降至奈米尺度時,原子級的缺陷效應則不可忽視;以差排為例,其插入規則排列的晶格時所誘發之彈性應變場,將改變鄰近晶體的局部結構與材料性質,而該缺陷可透過繞射圖譜之變化觀測。故本研究旨在探討差排所造成之晶格變形與 EBSD 菊池圖譜變化之關聯性,以差排理論作為出發點,分析差排周圍原子的位移行為以建立變形晶體結構,並進一步生成對應的變形菊池圖譜,再系統性比較原始圖譜與變形圖譜的菊池帶寬度、菊池帶位移與區域軸位移等差異。建立一套由「原子位移晶格變形-菊池圖譜變化」之分析架構。
    結果顯示,菊池帶寬度可透過晶面間距變化進行預測,而菊池帶位移則與晶面法向量旋轉密切相關。此外,區域軸位移則可透過晶軸方向結合球面投影(gnomonic projection)進行預測,且其位移量與相對於 Pattern Center 之位置高度相關。整體結果顯示,利用晶體結構變化能有效預測繞射圖譜之改變,有助於未來利用繞射圖譜快速判別晶體缺陷與結構變形行為,並可作為建立缺陷圖譜資料庫與自動化辨識方法之基礎。

    The study investigates the relationship between strain-induced dislocation and changes in electron backscatter diffraction (EBSD) Kikuchi patterns. Based on classical dislocation theory and Molecular dynamics (MD), atomic displacements around a dislocation were analyzed to construct deformed crystal structures and simulate the corresponding Kikuchi patterns. The results show that Kikuchi band width and displacement can be predicted from changes in interplanar spacing and plane normal directions, respectively. Zone axis displacement can also be predicted from crystallographic direction changes combined with gnomonic projection and is strongly dependent on its position relative to the Pattern Center. These results establish a framework linking atomic displacement, lattice deformation, and Kikuchi pattern variation.

    中文摘要3 目錄14 圖目錄18 表目錄24 第一章 前言25 第二章 文獻回顧28 2.1不同尺度的應變對於繞射圖譜之影響28 2.1.1 應變對於XRD圖譜之影響30 2.1.2 應變對於EBSD圖譜之影響35 2.1.3 應變對於TEM圖譜之影響42 2.2 差排與晶體塑性變形機制44 2.2.1 微觀尺度:差排與晶格彈性應變44 2.2.2 介觀尺度:差排與晶格旋轉49 第三章 分子動力學及差排理論之模擬模型51 3.1差排理論模擬模型52 3.1.1 理論模擬模型52 3.1.2 應力場計算與統計方式57 3.1.3 應變場計算與統計方式59 3.1.4 原子位移計算方式60 3.1.5 菊池圖譜模擬方式61 3.2 分子動力學模擬模型64 3.2.1 差排分析法(Dislocation Extraction Algorithm, DXA)65 3.2.2 原子級應變67 3.2.3 模擬模型架設69 3.2.4 菊池圖譜模擬方式74 第四章 模擬結果78 4.1 差排理論模擬結果78 4.1.1理論應力場之分析79 4.1.2理論應變場之分析81 4.1.3理論位移場之分析83 4.1.4差排理論之繞射圖譜85 4.2 分子動力學模擬結果91 4.2.1 差排與局部應力場之分析91 4.2.2 差排與原子位移之分析99 4.2.3 分子動力學之繞射模擬圖譜分析102 第五章 討論105 5.1差排結構對應力場之影響105 5.2差排結構對應變場之影響109 5.3差排結構對菊池帶寬度之影響112 5.4差排結構對菊池帶位置之影響118 5.5差排結構對區域軸位置之影響126 第六章 結論136 參考文獻139

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