Al-Ti-B细化工业纯铝凝固组织演变过程数值模拟

采用耦合群体动力学方法与元胞自动机方法建立了细化处理条件下铝合金凝固微观组织演变的数值模型.该模型考虑了a-Al的非均匀形核过程、晶粒的初始球形长大以及之后的枝晶生长过程.利用建立的模型模拟了Al-5Ti-1B中间合金细化工业纯铝凝固组织演变过程.结果表明:形核初始阶段,熔体中存在充足数量的有效形核粒子, a-Al形核率随着熔体过冷度的增大逐渐增高;形核开始不久后, a-Al的异质形核过程由熔体中有效形核粒子数量控制,直到再辉发生,形核停止.模拟分析了中间合金添加量以及熔体冷却速度对工业纯铝凝固组织演变过程的影响,模拟结果与实验结果相符,验证了模型的准确性.     

晶体相场法研究金属微互连结构形变过程对界面Kirkendall空洞生长的抑制机理

应用晶体相场方法模拟研究金属微互连结构形变过程对界面Kirkendall空洞生长的抑制作用。主要研究在金属微互连结构对称界面不同取向差的情况下，双向恒定速率应变对Kirkendall空洞微观组织及生长动力学的影响。研究结果表明：金属微互连结构界面在双向恒定速率应变作用下有非晶化趋势，界面原子错配度和缺陷密度增大，进而抑制Kirkendall空洞的生长；双向恒定速率应变不改变Kirkendall空洞在对称界面取向差情况下的形核方式，Kirkendall空洞的形核方式为体系形核点饱和后的晶界形核；Kirkendall空洞在金属微互连结构小角度对称和大角度对称界面皆为均匀分布；随着演化时间的延长Kirkendall空洞平均尺寸和面积均逐渐增大；随着小角度对称界面取向差的增大Kirkendall空洞平均尺寸、面积和生长指数均逐渐降低；随着大角度对称界面取向差的增加，Kirkendall空洞平均尺寸和面积逐渐减小，而生长指数逐渐增大。双向恒定速率应变可有效减小Kirkendall空洞生长尺寸和面积，抑制Kirkendall空洞的生长，进而提升金属微互连结构的可靠性。     

Fe基纳米晶合金晶粒尺寸反常变化的物理机制

晶粒尺寸在很大程度上决定了Fe基纳米晶合金的磁学性能,其随退火温度变化的物理机理是纳米晶领域重要的研究内容.研究了初始晶化温度与二次晶化温度之间退火1 h Fe基纳米晶合金晶粒尺寸随退火温度的变化,并建立了相应的模型.利用提出的模型分析了该温度范围内Fe基纳米晶合金晶粒尺寸随退火温度升高先减小后增大的物理机制. 研究发现,在初始晶化温度与二次晶化温度之间等时退火,当退火温度约为Fe基纳米晶合金熔点的0.6倍时其晶粒尺寸最小.在研究的温度区间内,理论研究结果与实验符合得较好. 本研究提供了一种快速获得小晶粒尺寸纳米晶合金的方法.     

冷却速率对温敏聚N-异丙基丙烯酰胺胶体结晶过程的影响

冷却速率对结晶过程具有重要的影响. 本文采用温敏poly-N-isopropylacrylamide (PNIPAM) 胶体晶体体系实时观察了冷却速率对结晶晶粒尺寸的影响. 通过高倍透射明场观察和Bragg衍射观察研究连续冷却下的晶粒形核和生长实时演化过程, 发现随着冷却速率的增加, PNIPAM胶体晶体晶粒尺寸不断减少. 晶粒尺寸与冷却速率符合幂指数关系, 与金属体系具有相似的演化规律.     

冷轧取向硅钢二次再结晶过程的能量分析

冷轧取向硅钢片高温加热时,二次晶粒形核于极表面附近的区域,核的长大方式与冷轧形变率有关。本文按二次冷轧工艺、H1-B(一次冷轧)工艺下二次晶核的长大特点,分别采用能量分析方法导出了各种组织参量,如:初次晶粒半径、夹杂因子及二次晶核临界尺寸间的定量关系。计算结果与文献实验数据符合。 关键词：     

Cu固液界面能的分子动力学计算

本文使用分子动力学方法对液相Cu中不同半径晶胚的生长和熔化行为进行了研究. 随着半径的增加, 晶胚生长的临界温度升高. 临界形核过冷度和晶胚半径倒数成正比关系, 这和经典形核理论一致. 由上述关系计算得到Cu的Gibbs-Thomson系数为1.12×10^-7 K·m, Cu的固液界面能为0.146 J/m², Cu的Turnbull系数为0.416, 这些计算值均与实验值一致. 关键词： 分子动力学 经典形核理论 固液界面能     

镁铁双羟基复合金属氧化物的可控合成及晶面生长特征研究

采用成核 /晶化隔离法合成镁铁双羟基复合金属氧化物MgFe LDH ,考察了Mg∶Fe摩尔比对MgFe LDH晶形的影响 ,探讨了晶化温度及晶化时间对晶面生长选择性及晶粒尺寸的影响规律 .结果表明 ,随Mg∶Fe摩尔比增大 ,层板阳离子排列更为规整 .晶化温度对晶粒尺寸的影响显著大于晶化时间的影响 .晶化温度相同 ,随晶化时间延长 ,MgFe LDH的晶体结构趋于完整 ,晶粒尺寸变化不大 ;晶化时间相同 ,随晶化温度升高 ,晶体结构趋于完整 ,晶粒尺寸明显增大 .所得到的MgFe LDH沿a轴方向的晶粒尺寸对晶化温度变化的敏感程度远大于对晶化时间变化的敏感程度 ,但总是沿a轴方向的晶粒尺寸大于沿c轴方向的尺寸 ,即 [110 ]晶面的生长速率比[0 0 2 ]晶面的生长速率快     

非晶Ti3Al合金的变形晶化机理的原子模拟

利用分子动力学方法研究了非晶Ti3Al合金拉伸过程中的晶化行为,模拟结果表明局部塑性变形导致非晶合金晶化.从微观结构演化的角度分析了拉伸过程中的晶化机理,局部剪切导致拉伸过程中晶粒发生成核与合并,最终生成的晶粒具有面心立方结构.晶核的生长过程伴随着应力强化现象,非晶相中的纳米晶粒能提高非晶合金材料的强度.     

非晶Ti3Al合金的变形晶化机理的原子模拟

利用分子动力学方法研究了非晶Ti₃Al合金拉伸过程中的晶化行为，模拟结果表明局部塑性变形导致非晶合金晶化.从微观结构演化的角度分析了拉伸过程中的晶化机理，局部剪切导致拉伸过程中晶粒发生成核与合并，最终生成的晶粒具有面心立方结构.晶核的生长过程伴随着应力强化现象，非晶相中的纳米晶粒能提高非晶合金材料的强度. 关键词： 非晶合金 变形晶化 分子动力学     

Ar环境下脉冲激光烧蚀粒子阻尼系数的空间分布

在10 Pa的Ar环境气体中,采用脉冲激光烧蚀技术,分别在半径为2.0,2.5,3.0,3.5和4.0 cm的半圆环不同角度处的衬底上制备了一系列含有纳米晶粒的Si晶薄膜。使用扫描电子显微镜、X射线衍射仪和拉曼光谱仪对其表面形貌和微观结构进行分析表征。结果表明,纳米Si晶粒的平均尺寸和烧蚀粒子的阻尼系数均相对于羽辉轴向呈对称分布,并随着与羽辉轴向夹角的增大而减小;同时,随着衬底半径的增加,晶粒平均尺寸和阻尼系数均逐渐减小。     

Decline of nucleation in the heating process with a high heating rate

The effect of the heating rate on the nucleation of metallic glass in a rapid heating process starting from the glass transition temperature is investigated. The critical nucleus radius increases with the increase of the temperature of the undercooling liquid. If the increment rate of the critical nucleus radius, owing to the heating process, is higher than the growth rate of the nuclei, the nuclei generated at the low temperature will become the embryos at the high temperature. This means that the high heating rate can make no nucleation happen in the heating process. In consideration of the interfacial energy, the growth rate of the nuclei increases with the increase of their size and the growth rate of the critical nucleus is zero. Thus, the lower heating rate can also make the nuclei decline partially. Finally, this theory is used to analyze the nucleation process during laser remelting metallic glass.     

Size distribution evolution equations in space-competing domain growth systems

A model of microstructure development for phase transformations driven by nucleation and growth is presented. The model is based on a set of Fokker-Planck-like equations which allows us to compute the particle grain density distribution at any time during the transformation, provided that the nucleation and growth dependences on time and/or grain radius are known. The model is applicable to any kind of nucleation and growth protocols fulfilling the Johnson–Mehl–Avrami–Kolmogorov conditions, namely spatially random nucleation and isotropic growth. Comparison with stochastic (Monte Carlo) simulations is presented, giving quantitative agreement in all cases. This work shows the relationship between kinetic parameters and microstructure evolution as well as the accuracy of the developed model.     

Li_2O-Al_2O_3-SiO_2-P_2O_5系统微晶玻璃受控析晶分析

应用DTA,XRD,SEM等手段研究了Li2O_Al2O3_SiO2_P2O5系统微晶玻璃的析晶过程和相组成。采用模拟计算方法考察了不同的析晶条件。引入适量的Al2O3等难熔物组分来改变析晶条件及残留玻璃相的组成和粘度。通过抑制主晶相(Li2O.2SiO2)晶粒的生长,最终获得了晶粒尺寸为0.1~0.3μm的透明微晶玻璃。     

Determination of the colloidal crystal nucleation rate density

Colloidal suspensions of charged latex microspheres in water exhibit liquid-like or crystalline ordering depending on particle interaction and concentration. By virtue of large particle spacing and slow dynamics, colloidal systems offer a unique opportunity to study interfacial structure and dynamics. This paper presents the first reported experimental study of the nucleation rate density, c, of an nonequilibrium (supercooled) colloidal liquid to colloidal crystal first order phase transition. Local and global observations of colloidal crystals growing from a metastable colloidal liquid were used to determine c. Microscopic local observations revealed homogeneous nucleation and constant interface velocity growth of quasispherical crystallites in the bulk and heterogeneous nucleation of a crystalline sheet with lower growth velocity at the cell wall. Complementary global observations of the recrystallization transition made by measuring the time dependence of the suspension transparency (the fraction of transmitted laser light) determined c by fitting this curve to a model based on an extension of Avrami's theory of crystallization.     

噪声对均质形核过程影响的晶体相场法研究

采用晶体相场模型,模拟了有色噪声诱发的均质形核过程. 结果表明,噪声强度在一定范围内对系统平衡热力学参量、形核势垒、临界晶核尺寸影响甚微; 而对形核孕育时间影响较大,形核孕育时间随噪声强度的增大呈指数减小趋势. 进一步分析表明,噪声对形核孕育时间的影响主要是由于噪声的引入改变了原子动力学系数.     

Dependence of grain boundary character distribution on the initial grain size of 304 austenitic stainless steel

Abstract

In order to study the dependence of the grain boundary character distributions (GBCD) on the grain size, annealing treatment was carried out on 304 austenitic stainless steel with different initial grain sizes. The evolution of the GBCD was analysed by electron backscatter diffraction. The experimental results showed that abnormal grain growth (AGG) occurred when grain size was small. With a smaller initial grain size, the number density of abnormally large grains and the fraction of low-Σ CSL boundaries increased but the size of abnormally large grains decreased and the random boundaries presented a continuous network. With a larger initial grain size, the fraction of low-Σ CSL boundaries also increased as well as the size of abnormally large grains but the number density of abnormally large grains decreased and the connectivity of random boundary network was disrupted by low-Σ CSL boundaries, especially Σ3ⁿ (n = 1, 2, 3) boundaries. However, with a very large initial grain size, normal grain growth (NGG) occurred, which had no effect on the fraction of low-Σ CSL boundaries and the connectivity of random boundary network.     

Surface Nucleation Kinetics on Active Centers from Supersaturated Vapor

The formation of nuclei from a supersaturated vapor on a surface with active centers is treated within standard self-consistent classical model with exhaustion of active centers. Basic characteristics of nucleation process (total number of nuclei, nucleation rate, time lag and size distribution of nuclei) are determined by numerical solution of kinetic equations. It is shown that standard approach to nucleation on active centers based on Avrami model coincides with our approach in the values of time lag of nucleation process, but it differs in the total number of nuclei.