IMR OpenIR
高温结构合金中微观组织演化的相场模拟
其他题名Phase field simulation of microstructural evolution in high-temperature structural alloys
王刚
学位类型博士
导师杨锐
2008-05-27
学位授予单位中国科学院金属研究所
学位授予地点金属研究所
学位专业材料学
关键词钛合金 镍基高温合金 微观组织演化 相场
摘要钛合金和镍基高温合金属于常用的高温结构合金,由于其具有优异的高温力学性能而成为航空发动机中的关键材料。航空航天等高温工程领域的进一步发展对这两种合金的性能提出了更高的要求,迫切需要开发出性能更优异、价格更便宜的新产品,而要想提升合金性能,深刻地理解合金中微观组织的形成机制和演化规律就显得十分必要,这对于指导合金设计和组织控制具有重要意义。 然而,由于微观组织的多样性和复杂性,采用理论或者实验的手段来进行研究都面临相当大的困难。近年来,计算材料学的兴起及其迅猛发展为材料科学和工程研究提供了强有力的工具,使得我们可以采用计算机模拟的方法来研究微观组织方面的问题。本工作采用介观尺度上的相场方法来研究钛合金和镍基高温合金中的微观组织演化过程。 本文首先研究了钛合金中片状组织的形成和长大。建立了Ti-6Al-4V合金中beta-alpha扩散型相变的相场模型,在暂时忽略弹性相互作用的情况下,分别考察了界面能各向异性和热处理温度对合金中片状形貌的影响,结果发现界面能的各向异性能促进片状形貌的形成,并且随着界面能各向异性程度的不同,alpha簇可以呈现出棒状、短片状、长片状等不同的形貌特征,热处理温度的不同则会改变alpha簇的生长速度和片层间距,当温度过高时,即使相变能够进行也得不到片状组织。 采用定量相场模型研究了Ni-Al二元合金中gamma prime颗粒的溶解动力学。先对一维和三维空间中的单个gamma prime颗粒的溶解进行了模拟,并分别与解析解和基于突变界面模型的数值解进行了比较,验证了该定量相场模型的正确性和可靠性,然后将该模型应用于三维空间中多个gamma prime颗粒溶解的情况,研究了不同的初始颗粒尺寸分布对溶解动力学的影响。模拟结果表明平均颗粒尺寸变化对初始颗粒分布非常敏感,而不论初始颗粒尺寸分布如何,颗粒的体积分数均是随时间指数减少,但溶解速率与初始颗粒尺寸分布密切相关。 接着对含有第二相颗粒的体系中的晶粒长大现象进行了相场模拟,建立了颗粒钉扎(又常称为Zener钉扎)的相场模型,分别研究了二维和三维空间中的Zener钉扎现象。在二维情况下,介绍了一种可以直接将实验电子扫描照片转化为数据文件的方法,从而可以将之用作相场模型的初始输入,使得相场模拟与实验更加紧密地结合起来。在三维情况下,首先讨论了颗粒尺寸对于钉扎力的影响,通过相场模拟与理论计算的比较,确定了在相场模型中可以采用的最小颗粒尺寸。大尺度的三维模拟结果显示,颗粒在三维空间中对界面的钉扎力比二维中要弱,而且发现颗粒的尺寸分布对最终的稳定晶粒尺寸有影响,当钉扎颗粒大小不一时,需要引入一个新的参量来表征体系内颗粒的Zener效应,并在此基础上提出了改进型的Zener公式。最后还研究了界面的共格性对颗粒钉扎的影响。在对gamma prime颗粒溶解和Zener钉扎同时进行相场模拟后,提出了镍基高温合金René 104中的晶粒长大第一代快速执行模型。 René 104合金的第二代晶粒长大模型则包含了锻造工艺对晶粒长大的影响。本文分别考察了变形存储能、gamma prime颗粒溶解速率和初始晶粒尺寸分布等因素对晶粒长大动力学的影响,结果表明前两者对晶粒长大的影响较为有限,而初始晶粒尺寸分布可以明显的改变晶粒长大的动力学变化过程。提出了晶粒长大的平均场统计模型,研究了没有钉扎力、钉扎力为恒定值和钉扎力随时间递减等三种情况下的晶粒长大情况,发现当钉扎力可以变化时,可能会发生反常晶粒长大,并导致最终的稳定晶粒尺寸超过Zener极限。以此为基础提出了第二代快速执行模型,可以用来预测热变形和热处理过程中晶粒尺寸的变化情况。
其他摘要Titanium alloys and nickel-base superalloys are the commonly used high-temperature structural alloys, and they have been the key materials in the aeroengine due to their excellent mechanical properties. However, the further developments of high-temperature engineering, such as aeronautic and astronautic industry, set higher requirements for these two kinds of alloys, and it is urgent to develop the new products with better properties and cheaper cost. If one wants to improve the properties of these alloys, it is very necessary and important to understand deeply the formation mechanisms and evolution laws of the microstructures in alloys. Recently the rapid development of computational material sciences has provided a powerful tool for the research of materials science and engineering. Besides theories and experiments, computer simulation can be used to resolve the various problems in materials. In this study, we employ the mesoscopic phase field model to study the microstructural evolution in titanium alloy and nickel-base superalloy. Firstly, the formation and growth of alpha sideplates in titanium alloys are explored. The phase field model of beta-alpha diffusional transformation in Ti-6Al-4V alloy is established. Without taking into account the elastic energy, the effects of interfacial energy anisotropy and heat-treatment temperature on the morphology of alpha sideplates are studied, respectively. The results show that the interfacial energy anisotropy can accelerate the formation of sideplates, and the morphology of alpha colony can change from rod to plate with the different interface energy anisotropy. The heat-treatment temperature also can influence the growth velocity and plate space of alpha colony. When the temperature is high, the sideplates can not be obtained even if the phase transformation still occurs. The dissolution kinetics of gamma prime particles in Ni-Al binary alloy are studied using quantitative phase field model. The dissolution of single particle in one-dimensional (1D) and 3D space are simulated firstly, and the kinetics results are compared with analytical solution and numerical solution obtained from sharp-interface model. The multi-particle dissolution in 3D is then simulated, and the effects of initial particle size distribution (PSD) on the dissolution kinetics are studied. The simulation results show that the change of average particle size depends strongly on the initial PSD, and the particle volume fraction decreases with time exponently in spite of the initial PSD, but the dissolution rate is relative to the initial PSD. The grain growth in the particle-contained system is studied by using phase field method. The phase field model of particle pinning (also called as Zener pinning) is built, and the Zener pinning in 2D and 3D are simulated, respectively. A method is proposed to convert the experimental SEM image into the data file which can be the input of phase field model. In 3D case, the minimum particle size in the phase field model is determined firstly. Then the 3D simulations in big system show that the pinning force in 3D is weaker than that in 2D, and that the particle size distribution has effect on the final stable grain size. A new parameter is introduced to characterize the Zener effect, and a modified Zener equation is proposed. Based on the simulations of gamma prime dissolution and Zener pinning, the first fast acting model (FAM) is proposed to predict the grain growth kinetics in René 104 alloy. The second model of grain growth in René 104 alloy includes the effects of forging. The possible factors, such as stored energy, gamma prime dissolution rate, and initial grain size distribution, are examined, respectively. The simulation results indicate that both stored energy and gamma prime dissolution rate seem to have little influence on the grain growth kinetics. But the initial grain size distribution can change the kinetics obviously. A mean field statistical model of grain growth is proposed, and the grain growth in three cases are studied, including without pinning force, with constant pinning force, and with decreasing pinning force. It is found that, when the pinning force decreases with time, the abnormal grain growth may occur, which will lead to a final stable grain size beyond the Zener limit. Based on these results, the second FAM is proposed to predict the grain growth kinetics during hot deformation and heat treatment.
页数141
语种中文
文献类型学位论文
条目标识符http://ir.imr.ac.cn/handle/321006/17113
专题中国科学院金属研究所
推荐引用方式
GB/T 7714
王刚. 高温结构合金中微观组织演化的相场模拟[D]. 金属研究所. 中国科学院金属研究所,2008.
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