各向异性条件下晶粒长大过程的相场法模拟

引入与时间有关的取向错配场变量,模拟了晶界能各向异性条件下晶粒长大的演化行为.模拟结果表明,与晶界能各向同性系统相比,随演化时间的延长,晶界能各向异性延迟晶粒的生长,使得晶粒的平均面积呈非线性变化;在相同的演化时间下,各向异性系统的晶粒尺寸分布比各向同性系统宽;晶界边数少的晶粒所占的比例明显增加;进入准稳态后,各向异性和各向同性系统中的晶粒相对尺寸分布随时间皆无明显变化.     

两种Ni-Zn铁氧体复合材料的烧结性能和射频磁性能*

用sol-gel法获得了两种铁氧体复合材料：以镁橄榄石为基体的Ni-Zn铁氧体复合材料和以MAS为基体的Ni-Zn铁氧体复合材料。比较了这两种复合材料的结晶性能和烧结性能。两种复合材料在射频区（100MHz-1GHz)的磁性能优于纯Ni-Zn铁氧体，这种优于纯Ni-Zn铁氧体的磁性能与复合材料的显微结构密切相关：复合材料中Ni-Zn尖晶石晶粒的尺寸较一般纯Ni-Zn铁氧体晶粒尺寸小一个数量级，晶粒间的磁相互作用较纯铁氧体晶粒间弱。     

热处理对STO铁电薄膜微结构的影响

系统研究了 CFA与 RTA两种热处理方式以及热处理温度和时间对 STO 薄膜微结构的影响。STO薄膜采用脉冲激光沉积法(PLD)制备。采用原子力显微镜(AFM)和XRD分别对薄膜的表面形貌和晶粒结构进行分析。结果表明,在热处理温度 650~800℃范围内,相对于 CFA、STO薄膜经 RTA热处理后,薄膜表面晶粒大小分布均匀、致密。两种热处理方法都使薄膜的晶粒直径随温度升高而增大,并且温度越高,薄膜的晶形越完整,同样热处理温度下,RTA与CFA相比薄膜的晶粒较小, 两种热处理方法的最大晶粒尺寸都<120nm。但XRD分析结果表明,在相同热处理温度下,CFA 热处理的结晶转化率较 RTA 热处理要高。在一定范围内,RTA热处理时间对薄膜晶粒尺寸影响不大,热处理时间越长,晶粒更加完整,表面更加均匀平整,结晶转化率越高。     

退火过程中晶粒生长的二维计算机模拟

由于多晶体材料中晶粒取向不同,对晶粒的生长产生影响．本文以蒙特卡罗（ＭｏｎｔｅＣａｒｌｏ）方法为基础,通过对Ｐｏｔｔｓ算法的改进,建立快速的Ｐｏｔｔｓ算法,实现了对多晶材料在退火中晶粒生长过程的结构演化的计算机模拟和统计分析．与以前的模拟过程相比,计算量减少,逼真度较高．生长指数的模拟值约为１／３,与正常晶粒拓朴演化和理论分析的生长动力学相符合．     

航空金属材料平均晶粒尺寸检测标准研究

为制定更适合我国民航行业的金属材料平均晶粒尺寸的检测标准,从标准评级图、面积法计算公式、断口晶粒尺寸法以及其他影响平均晶粒尺寸精确度的因素4个方面,比较分析ASTM和GB检测标准的主要的差异。结果表明:ASTM和GB的标准评级图相同,但给出的金属材料适用范围、放大倍数换算表格不同,导致评级结果精度差异;面积法中,ASTM标准中的圆形法和矩形法分别有Jeffries,Saltykov的研究成果作为支撑,更为科学,而GB使用的测量网格规定和计算公式有待改进;ASTM和GB对于晶粒尺寸等相关概念、检测方法使用规定等方面的表述和理解存在差异,对平均晶粒尺寸的精度存在影响;断口晶粒尺寸法为ASTM独有。在制定我国民航行业的金属材料平均晶粒尺寸检测标准时,相比GB/T 6394——2002,ASTM E112——2012标准更加详细、规范,实用性高,更符合我国民航行业行情。     

IF钢再结晶晶粒尺寸、显微织构和晶界特征分布的EBSD研究

对IF钢板的罩式退火工艺和连续退火工艺进行了模拟，并运用电子背散射衍射(EBSD)技术研究了两种退火工艺处理的IF钢板的再结晶晶粒尺寸、显微织构和晶界特征分布及其与二次加工脆性间的关系。试验结果表明，两种退火工艺的IF钢板在再结晶晶粒尺寸、显微织构和晶界特征分布上存在很大的差异，这种差异导致了两种退火工艺的实验钢板在深冲性能和韧脆转变温度上的差异。     

镍基高温合金热塑性变形晶粒细化与粗化的博弈关系及演进

为深入揭示Ni80A镍基高温合金热塑性变形过程中晶粒细化与晶粒粗化之间的博弈关系及演进,基于晶粒细化等温变形实验和晶粒生长粗化实验分别建立了动态再结晶和晶粒生长数学模型.结合所建数学模型和有限元分析发现,Ni80A镍基高温合金在热塑性变形过程中动态再结晶晶粒细化和晶粒生长粗化的博弈关系及演进共同决定了晶粒尺寸的非线性演变.本工作绘制了两种晶粒尺寸演变机制的博弈关系图并分析其对晶粒尺寸的单独及耦合作用.结果表明:变形初期晶粒生长粗化占主导地位,变形中后期动态再结晶晶粒细化占主导地位,整个热塑性变形过程中二者相互博弈,共同影响试样的晶粒尺寸.     

正常晶粒生长形貌演化的计算机模拟研究

有关多晶材料晶体生长机理及计算机模拟方法，我们已作了详细的论述。本文以蒙特卡罗（Ｍｏｎｔｅ Ｃａｒｌｏ）方法为基础，通过对Ｑ－ｓｔｅｔｅ ｐｏｔｔｓ算法进行改进，建立快速的Ｑ－ｓｔａｔｅ ｐｏｔｔｓ算法，用Ｄｅｌｐｈｌ３．０提供的Ｏｂｊｃｅｔ Ｐａｓｃａｌ语言编写软件，在ＰＣ５８６上实现了多晶材料晶粒生长结构演化的计算机模拟及统计分析。正常晶粒演化形貌图与生产动力力学相符合，逼真度较好。生长指数的     

工艺参数对熔盐法制备钛酸铋粉体影响的研究

研究了工艺参数对熔盐法制备钛酸铋粉体晶粒形貌和尺寸的影响.发现温度、盐的种类和盐的用量能够较显著地影响晶粒的形貌和尺寸.在氯盐中,晶粒尺寸随着温度的升高而逐渐增大,晶粒最终发育为较规则的圆片状,晶粒生长按照Ostwald液相生长机理来进行.在硫酸盐中,晶粒尺寸明显大于相同条件下在氯盐中的尺寸,且晶粒形貌呈不规则片状.当原料与盐的比例<1时,随着盐用量的增加,晶粒尺寸减小,形貌更加不规则.通过调整工艺参数能够控制颗粒的尺寸和形貌,制备具有各向异性生长的钛酸铋片状粉体.     

基于选区激光熔化316L不锈钢晶粒生长的仿真分析

目的 针对选区激光熔化成形316L不锈钢的晶粒生长行为难以被观测且观测成本高的问题,预测不同激光功率（P）、扫描间距（h）下选区激光熔化成形316L不锈钢的晶粒类型、尺寸大小及生长角度,探究不同P–h组合对晶粒生长行为的影响规律。方法 基于元胞自动机模型,采用全因子法设计16种P–h组合,从微观尺度模拟不同成形面316L不锈钢的晶粒生长变化情况,并对模拟结果进行数据统计分析。结果在平行于激光扫描方向的xy平面上,分布着大量晶粒直径小于60μm的等轴晶;而在垂直于激光扫描方向的xz、yz平面上,晶粒直径大于120μm的柱状晶分布得更多。随着扫描间距的增大,xz、yz两平面上的平均晶粒尺寸不断减小,而xy平面上的平均晶粒尺寸呈现先增大后减小的趋势。当P=150 W、h=0.18 mm时,xy平面上的平均晶粒尺寸最小,绝大部分晶粒直径小于20μm,晶粒生长角度均匀分布在0°～90°,没有出现晶粒生长向大角度偏移聚集的现象。结论 不同P–h组合能够通过改变熔池凝固时的冷却速率对选区激光熔化成形316L不锈钢的晶粒生长行为产生显著影响,在较低的激光功率下,适当提高扫描间距能够有效细化晶粒,减少晶...     

HAZ microstructure simulation in welding of a ultra fine grain steel

In the present work the evolution of grain structure in the weld HAZ (heat affected zone) under welding thermal cycle was simulated. Especially the grain growth in the HAZ of a SS400 ultra fine grain steel was investigated. An integrated 3-D Monte Carlo (MC) simulation system for grain growth of the weld HAZ was developed based on Microsoft Windows. The results indicate that MC simulation is an effective way to investigate the grain growth in weld HAZ. The method not only simulates the non-isothermal dynamics process of the grain growth in the weld HAZ, but also visualizes the austenite grains realistically. Moreover, the thermal pinning effect can be easily included in the simulation process. The grain sizes of the CGHAZ (coarse grain heat affected zone) obtained from MC simulation are basically in agreement with the experimental measurement of the real welded joints under different heat input. Furthermore, the simulation indicates that the grain growth degree is higher for the SS400 ultra fine grain steel compared to conventional steel. With the increase in the heat input, the grain growth of the CGHAZ rapidly increases. Because the activation energy of the grain growth is lower for the SS400 ultra fine grain steel, austenite grains can grow at a relatively lower temperature, hence the range of the CGHAZ becomes wider.     

含有烧结助剂的复相陶瓷材料烧结过程的元胞自动机模拟

基于晶界能和晶界曲率的晶粒生长驱动力理论,建立了含有烧结助剂的复相陶瓷晶粒生长的元胞自动机模型并进行了模拟。结果表明,烧结助剂对晶界有着强烈的钉扎作用,其晶粒生长指数小于未含烧结助剂时的生长指数。模拟结果与制备的含有烧结助剂的Al2O3／TiN复相陶瓷材料微观形貌组织吻合,表明所建立的模型适用于含有烧结助剂的陶瓷材料烧...     

铁素体不锈钢焊接HAZ的晶粒长大模型

用物理模拟方法研究了铁素体不锈钢EB26－1焊接热影响区HAZ的晶粒长大,通过在不同规范下的等温晶粒长大物理模拟与分析,并结合焊接试验,建立了HAZ晶粒长大的模型,该模型成功地将Arrhenius公式用于热影响区晶粒长大计算,给出了焊接HAZ存在很陡的温度梯度对晶粒大长起阻碍作用的热钉扎效应,为选择合适的焊接规范和计算机模拟提供了依据。     

Simulation of the effect of anisotropic grain boundary mobility and energy on abnormal grain growth

Abnormal grain growth (AGG) can take place when the grain boundaries of a given grain have the growth advantage exclusively over those of the other grains. The growth advantage can be provided either by high mobility or by low energy of the grain boundaries. Monte Carlo simulation is done to determine which of the two factors is more important in inducing AGG. The results of the simulation indicate that the growth advantage by the low energy induces AGG under a more realistic condition if the grain boundary energy is low enough to allow the AGG grain to grow by solid-state wetting. Grain growth by wetting will take place at the triple junction when the sum of the two grain boundary energies is smaller than the other grain boundary energy. Island grains inside the AGG grain are formed both by anisotropic mobility and energy of grain boundaries. High frequency of island grains, however, comparable to that observed in the initial stage of AGG in an Fe-3%Si alloy, is induced under a condition where growth by wetting is favored while the grain boundary migration is suppressed.     

Three Dimension Monte Carlo Simulation of Austenite Grain Growth in CGHAZ of an Ultrafine Grain Steel

In the present research Monte Carlo technique was used to simulate the grain growth in heat-affected zone(HAZ) of an ultrafine grain steel. An experimental data based (EBD) model proposed by Gao was used to establish the relation between tMCS and real time temperature kinetics in our simulation. The simulations give out the evolution of grain structure and grain size distribution in HAZ of the ultrafine grain steel. A Microsoft Window based on computer program for the simulation of grain growth in the HAZ of weldment in three dimensions has been developed using Monte Carlo technique. For the system, inputting the temperature field data and material properties, the evolution of grain structure, both image of simulated grain structure and numerical datum reflecting grain size distribution can be produced by the program. The system was applied to the ultrafine grain steel welding, and the simulated results show that the ultrafine grain steel has large tendency of grain growth.     

纳米材料晶粒生长理论的研究进展

实验研究表明,纳米材料的晶粒生长速率远低于传统晶粒长大理论所预测的生长速率,为解释这一异常的晶粒生长行为,研究者提出了各种理论模型。综述了纳米晶粒生长理论模型的研究现状:第一类为动力学模型,通过钉轧晶界实现延缓晶粒的生长,起钉轧晶界作用的有溶质原子、三叉晶界和第二相等;第二类是热力学模型,通过降低晶界能来降低晶粒生长的驱动力,从而实现延缓晶粒的生长,如溶质原子偏析晶界和空位注入模型等。对各种理论模型进行了描述和分析,并展望了其发展方向。     

二维晶粒演变过程的模拟及分形研究

以蒙特卡罗随机模拟方法为基础,通过对原有算法进行改进,对二维晶粒的演变过程进行了计算机模拟和分形研究,获得了统计等效组织模型．分析表明,模拟的晶粒在演变过程中具有分形特性,即晶粒形态具有与时间无关的相似性,与晶粒形核和生长的物理机制相一致,证明了模拟过程的合理性．从而为后续热变形显微组织演变的模拟中晶核的空间分布和生长提供较为精确的显微组织基础．     

On grain growth kinetics in two-phase polycrystalline materials through Monte Carlo simulation

Monte Carlo Potts model simulation was carried out on a 2D square lattice for various surface fractions of second phase particles for over 50,000 iterations. The observations are in good agreement with known theoretical and experimental results with respect to both growth kinetics as well as grain size distribution. Further, the average grain size and the largest grain size were computed for various surface fractions which have indicated normal grain growth and microstructure homogeneity. The surface fraction of the second phase particles interacting with the grain boundaries (Φ), hitherto not computed through the simulation route, is shown to vary inversely as the average grain size due to Zener pinning.     

Modeling of the neighborhood topological effect on grain growth in presence of particles pinning

A model for grain growth with the particles effect is suggested. This model, which presents an extension of the von Neumann-Mullins law in presence of pinning particles, predicts two-grain critical numbers. Greater than the minimal critical number or less than the maximal critical number the grain boundary can be moving. Between the two limiting numbers no grain growth takes place. These limiting numbers permit us to introduce the preferential influence of particles on grain boundaries in the simulation procedure. Currently, it is very difficult to include this preferential interaction directly in the classical simulation models. A computer simulation by a modified Monte-Carlo potts technique is used to test our proposed model.     

Influence of the second-phase particle size on grain growth based on computer simulation

A three-dimensional Monte Carlo simulation method for grain growth in two-phased materials is set up, basing on a micro-physical analysis of the interaction between the second-phase particle and the grain boundary. Two-phased systems containing second-phase particles with the same quantity but different sizes are designed, and the complete processes of grain growth are simulated. The influences of the particle size on grain growth are observed and studied quantitatively.