近年來，隨著鋁合金產品研發及製造的需求日漸增加，製程模擬在工業界扮演的腳色更顯重要。理論上，可透過將生產線的連續製程拆解，並將各製程以模擬的方式進行虛擬製程，藉此降低研發時間及原料成本。在常見的鋁合金製程中，最終成型前的退火製程對產品的物理性質存在顯著影響，而退火製程主要涉及金屬的再結晶行為。由於目前對金屬再結晶行為仍有多種解釋方法，其反映人們對退火再結晶相關理論及機制的不完全了解，因此限制了再結晶模型於工業上模擬退火的實際應用。本研究利用基於細胞自動機的理論建構再結晶模型，考慮鋁合金退火時的再結晶成核及成長行為，來模擬AA1100鋁合金的靜態再結晶時的微結構和集合組織演化。另一方面，本研究結合晶體塑性、Schmid定律以及Sachs理論建立鋁合金凸耳預測模型，並以此模型預測單晶以及多晶AA5151鋁合金的深沖杯緣輪廓。
於再結晶成核模型中，在熱力學及動力學不穩定準則的基礎上，額外考慮了機械不穩定準則，使得成核驅動力能障由一整體平均數值變為局部動態數值，且整體的成核驅動力下降，成核點由99.5%降至37.5%。集合組織方面，當整體成核驅動力下降，再結晶集合組織方位的變形區域仍然有足夠高的驅動力進行成核。此外，成核點周圍有較高比例的晶粒為變形集合組織且較低比例的晶粒為再結晶集合組織，顯示機械不穩定準則的引入，除了可促進再結晶集合組織方位晶粒的成核，亦有利於該孕核藉由消耗鄰近變形集合組織晶粒而成長。Cube和RC20°RD成核點分別顯示與相鄰變形區域有著不同的旋轉軸關係，前者旋轉軸包含<110>, <111>和<112>，而後者旋轉軸包含<122>和<133>，旋轉角分布範圍為45°~65°。
於再結晶成長模型中，本研究設計三種晶界遷移率來探討低角度及高角度不均勻晶界遷移率對鋁合金再結晶微結構和集合組織的影響。結果顯示，低角度和高角度晶界均能促進再結晶方位晶粒的成長。在Cube和RC20°RD集合組織中，高角度晶界相對低角度晶界影響比例為1.40和1.33。在微結構中，模擬結果捕捉到Cube因考慮了以旋轉軸為<111>和方位差為40°時的選擇性成長而有明顯較大的晶粒尺寸。而RC20°RD則未因此選擇性成長而有明顯晶粒尺寸上的變化。由集合組織構分析得知，Cube和RC20°RD集合組織主要透過高角度晶界遷移而形成。
於深沖杯緣輪廓預測模型中，本研究考慮不同應力比值、應變硬化指數以及方位分布對各單晶的影響。C*、S*、Cube和RC20°RD集合組織對應力比值的變化較敏感，而C*、S*、B*、RC20°RD和G集合組織對硬化指數得變化較敏感。本研究最終以應力比值-0.3及硬化指數0.3來修正模型。考慮方位分布後， S*和B*杯緣輪廓的凸耳向45°收斂，即C*凸耳的穩定位置，而RC20°RD和G杯緣輪廓的凸耳向0°/90°收斂，即Cube凸耳的穩定位置。C*和Cube穩定的杯緣輪廓顯示其各自鄰近方位均有相近的杯緣輪廓及凸耳角度。最終，本研究以AA5151中的六個主要集合組織以及退火AA5151中集合組織體積分率預測出不同退火時間鋁材深沖的杯緣輪廓。結果可反映隨退火時間增加，0° 和90°凸耳的形成以及45°凸耳的消失，預測耳率對實驗耳率呈線性關係，斜率為5.27。

In recent years, as the demand for research and manufacturing development of aluminum alloys increases, the role of process simulation in the industry become increasingly important. Theoretically, the production line can be dismantled by parts, which can be virtually processed by simulation. Therefore, the development time and the cost can be reduced. Among the major processes in aluminum alloys, the final annealing process prior to the forming process has significant influence on the physical properties of the products. The annealing process is directly related to the recrystallization behavior of metals. Currently, there are still various explanations for recrystallization, which reveal the incomplete understanding to the theory and mechanism of recrystallization. The practical application of simulating the recrystallization during annealing process in industry is thus limited. In this work, on one hand, the evolutions of microstructure and texture of AA1100 during static recrystallization process are investigated using a recrystallization model based on cellular automata theory with consideration of nucleation and growth during recrystallization of aluminum alloys. On the other hand, an earing model is built by considering the crystal plasticity, Schmid law and Sachs theory to predict the deep drawn profiles of single crystals and annealed polycrystalline AA5151 aluminum alloy.
In the nucleation model, based on the thermodynamic and kinetic instability criteria, the additional mechanical instability criterion switches the barrier of driving force in nucleation from an average constant value to various localized dynamic values, resulting in decrease of overall driving force and reduction the number of nucleation site from 99.5% to 37.5%. In the aspect of texture, although the overall driving force decreases, the deformed regions with orientations of recrystallization textures still possess enough driving force for nucleation. In addition, the neighbors of nucleation sites reveal higher fraction of deformation textures- oriented grains and lower fraction of recrystallization textures- oriented grains. This indicates, with the introduction of mechanical instability criterion, not only the nucleation of grains with orientation of recrystallization is promoted, but the consumption of the surrounding deformed grains with orientation of deformation textures is facilitated by further growth of the nuclei. The nuclei of Cube and RC20°RD reveal different relationship of rotation to their deformed neighbors. The former has three rotation axes of <110>, <111> and <112> to neighboring grains, while the latter has two rotation axes of <122> and <133>to neighboring grains. The range of the misorientation is 45°~65°.
In the growth model, three types of mobility are designed for investigation the effect of migration of LAGB and HAGB on microstructure and texture during recrystallization. The results indicate the migration of LAGB and HAGB promotes the growth of grains with orientation of recrystallization textures. The calculated related percentages ratio of HAGB to LAGB for Cube and RC20°RD are 1.40, and 1.33, respectively. The early stage of abnormal grain growth of Cube-oriented grains is captured with consideration of growth selection of misorientation close to 40°/<111>, while the RC20°RD- oriented grains are not promoted under the condition. The microstructure and texture analysis reveal the Cube- and RC20°RD- oriented grains form by migration of HAGB.
In the prediction model for deep drawn profile, the hardening exponent, stress ratio and orientation spread were considered for various single crystals. The components of C*, S*, Cube and RC20°RD are sensitive to the change of stress ratio, and the C*, S*, B*, RC20°RD and G are sensitive to the change of hardening exponent. Finally, the hardening exponent of 0.3 and stress ratio of -0.3 are selected as the parameters for correction. With consideration of orientation spread, the ears of profiles of S* and B* converge towards 45°, which are the location of C*’s ears; the ears of profiles of RC20°RD and G converge towards 0°/90°, which are the locations of Cube’s ears. The stable profiles of C* and Cube indicate the similar profiles of the surrounding orientations. Finally, with profiles and volume fractions of major 6 components, the profiles of annealed AA5151 aluminum alloy are predicted. The profiles display the formation of ears at 0° and 90° and disappearance of ears at 45° as the annealing time increases. The predicted ear ratio and experimental ear ratio are in linear relation with slope of 5.27.

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