晶粒生长演变相场法模拟界面表达的物理模型

讨论了当前固态组织演变过程的相场法模拟模型,论证了相场法中界面的概念以及模型中界面的各种处理方法,以AZ31镁合金再结晶系统为例,研究了模型参数取值对界面特征的影响,提出了晶界作用域的概念,阐述了晶界作用域就是相场模型中界面处有序化变量的变化范围,其物理意义是界面能量的分布范围,并对应于成分界面偏析的范围.模拟得出,晶界作用域宽度主要由梯度项系数决定,晶界能则由梯度项系数和耦合项系数共同决定.对于AZ31镁合金,模拟研究了晶界作用域宽度取值的合理性和对显微组织影响的关系,得出取值为1.18 μm时,模拟符 关键词： 相场法 界面 计算机模拟 显微组织     

γ-α相变中不同晶界特征下铁素体生长形貌的相场模拟

利用多相场模型模拟了奥氏体(γ)-铁素体(α)相变过程中不同晶界特征下铁素体晶粒的形貌与生长动力学.模型中通过能量梯度系数和耦合项系数的协同变化定量表达晶界能与晶界迁移率的各向异性,同时固定相场界面宽度来保证计算精度.模拟结果显示:随着原奥氏体晶界能与铁素体-奥氏体晶界能比值σ_(γ,γ)/σ_(α,γ)的增加,三叉相界面处的平衡角β减小,铁素体晶粒沿原奥氏体晶界与垂直于奥氏体晶界方向的生长速率差变大.铁素体与奥氏体晶粒间的晶粒取向越接近,铁素体生长越缓慢.模拟结果可描述铁素体晶粒生长形貌的多样性,与实验结果符合.     

二元合金多晶粒的枝晶生长的等温相场模型

基于Ginzburg-Landau理论和单晶粒的枝晶生长模型，发展了一个单相场控制的多个晶粒的枝晶生长模型. 采用相场和溶质场耦合的方法，以Al-2%Cu合金为例模拟了二元合金等温凝固过程中多个晶粒的生长过程. 结果表明，这个模型的计算结果展现了多个晶粒枝晶的竞争生长，能较真实的再现凝固过程中的枝晶的生长过程. 关键词： 相场法 多晶粒 等温凝固 二元合金     

多晶凝固及后续调幅分解过程的晶体相场法模拟

采用晶体相场模型,模拟了二元合金多晶凝固及后续调幅分解全过程.结果表明,晶体相场模型可完整再现包括形核、生长、粗化、晶界形成等多晶生长过程以及圆满完成从凝固到调幅分解的多相变过程. 关键词： 晶体相场模型 多晶凝固 调幅分解 组织演化     

两相钛合金再结晶退火组织与织构演变的蒙特卡罗模拟

蒙特卡罗(MC)方法被广泛应用于模拟金属材料在退火过程中的静态再结晶行为. 在已有两相材料晶粒长大MC模型基础上, 引入形核阶段, 综合考虑再结晶晶粒吞并形变晶粒和再结晶晶粒竞争长大两种情况, 建立了退火时两相合金再结晶MC模型.结合电子背散射衍射所测 初始晶粒形貌、相成分、晶体学取向及应变储能相对值, 该模型被应用于TC11钛合金退火过程中的微观组织及织构演变模拟.结果表明, 所建模型能够较好体现退火过程中两相晶粒的形核及晶粒长大行为. 与β相相比较, α相具有较低的再结晶速率和较高的晶粒长大速率, 前者主要归结于α相较低的初始应变储能, 后者则体现了该条件下初始组织形貌、分布及两相比例对晶粒长大具有重要影响; 由于非均匀形核的影响, 模拟得到的再结晶速率变化与 假设均匀形核的Johnson-Mehl-Avrami-Kolmogorov 再结晶方程存在明显差异.同时, 两相的基本织构特征在退火过程中无明显变化, 但织构强度增加. 关键词： 两相钛合金 再结晶 蒙特卡罗方法 织构     

相场法模拟NiCu合金非等温凝固枝晶生长

利用相场模型与溶质场、温度场进行耦合计算,以Ni-40.83%Cu合金为例模拟了二元合金枝晶生长过程.系统研究相场模型中相场和温度场耦合强度对枝晶形貌和浓度分布的影响.模拟结果表明:随着耦合强度的增加,相场受温度场的影响加大,界面前沿变得不稳,扰动被放大,主枝上出现了二次枝晶.同时,枝晶尖端的生长速率增大,而枝晶尖端的曲率半径减小,枝晶前沿的溶质富集现象也更严重;另外,计算结果与Ivantsov理论符合较好. 关键词： 相场法 NiCu合金 枝晶生长 Ivantsov理论     

相场法模拟多元合金过冷熔体中的枝晶生长

在二元合金相场模型研究的基础上，进行扩展获得了多元合金相场模型.以Al-Si-Mg三元合金为例，采用该相场模型实现了逼真地模拟多元合金凝固过程的等轴枝晶生长，得到了二次或更高次晶臂生长等复杂的枝晶形貌.随着第三组元Mg含量的减少，枝晶的二次枝晶越发达，枝晶中溶质的偏析越严重，枝晶尖端的生长速率和半径越大，与丁二腈-丙酮体系中枝晶尖端生长速率、半径随溶质浓度变化关系的理论计算和实验结果相符合.另外，枝晶初生晶臂中心的溶质浓度最低，在被二次晶臂包围的界面区域的溶质浓度最高；固液界面区域具有较大的浓度梯度，其中枝晶尖端前沿的梯度最大. 关键词： 相场法 多元合金 凝固过程 枝晶生长     

多晶材料晶粒生长粗化过程的相场方法模拟

基于采用晶体有序化程度参量ψ和晶体学取向θ来表示多晶粒结构的相场模型,利用自适应有限元方法模拟了多晶材料等温过程中的晶粒粗化现象.模拟结果显示,在曲率作用下,通过晶界迁移弯曲晶界逐渐平直化,小晶粒逐渐被大晶粒吞并,当晶界之间的取向差较小时,满足一定能量和几何条件的两晶粒在界面能作用下会发生转动,合并为单个晶粒.模拟结果与实验结果符合较好.因此,该相场模型可以很好地用来模拟固态相变中多晶材料的生长粗化等现象. 关键词： 相场 晶界迁移 晶粒转动 粗化     

二元合金高速定向凝固过程的相场法数值模拟

利用相场法对二元合金高速定向凝固过程进行了模拟，为简化计算，采用了温度冻结近似.模拟了定向凝固时平界面失稳、界面形态演化、溶质浓度分布以及高速绝对稳定性条件下胞晶向平面晶的转变等，得到了不同抽拉速度下胞晶间距、胞晶尖端温度以及有效溶质分配系数等参数，显示了高速生长条件下的溶质截留效应. 关键词： 定向凝固 相场法 高速绝对稳定性 溶质截留     

双模晶体相场研究形变诱导的多级微结构演化

本文采用双模晶体相场模型,计算了双模二维相图;模拟了形变诱导六角相向正方相转变过程的多级微结构演化,详细分析了位相差、形变方向对位错、晶界、晶体结构、新相形貌的影响规律.模拟结果表明:形变方向影响正方相晶核的形核位置和生长方向,拉伸时正方相优先在变形带上形核,垂直于形变方向长大,而压缩时正方相直接在位错和晶界的能量较高处形核,平行于形变方向长大;位相差对形变诱发晶界甄没过程有显著影响,体现在能量峰上为,小位相差晶界位错的攀滑移和甄没形成一个能量峰,大位相差晶界位错攀滑移和甄没因分阶段完成而不出现明显的能量峰;形变诱导相变过程中各种因素相互作用复杂,是相变与动态再结晶的复合转变.     

Ti-6Al-4V合金中片层组织形成的相场模拟

Ti-6Al-4V是典型的α+β钛合金,不同热处理制度和热加工工艺下可得到形貌各异的微观组织,从而表现出不同的力学性能,深刻理解合金中微观组织的形成机制有助于合金的进一步优化和改造.采用相场方法模拟Ti-6Al-4V合金中片层组织的形成及演化,以热力学数据库和动力学数据库为输入,通过计算定量预测β晶界上已存在初生α相时合金组织随时间的演化.结果表明,在一定条件下,随着时间的延长晶界α向β晶内生长形成片层组织,片状α簇的形貌与界面能各向异性密切相关;晶界取向对片层生长有重要作用,垂直于晶界生长时产生最密集的片层,随倾斜角增大片层加厚且生长缓慢;此外,热处理温度显著改变片层组织形貌,温度越高,片层尖端生长速度越慢,片层间距越大. 关键词： Ti-6Al-4V 相场模拟 片层组织     

Microstructure,creep, and tensile behaviour of a Ti–15Al–33Nb (at.%) beta+orthorhombic alloy

The microstructural evolution, creep and tensile deformation behaviour of a Ti–15Al–33Nb (at.%) alloy was studied. Monolithic sheet material was produced through conventional thermomechanical processing techniques comprising non-isothermal forging and pack rolling. Electron microscopy studies showed that depending on the heat-treatment schedule, this alloy may contain three constituent phases including:?β?(disordered body-centred cubic), α₂ (ordered hexagonal close-packed based on Ti₃Al) and O (ordered orthorhombic based on Ti₂AlNb). Heat treatments at all temperatures above 990°C, followed by water quenching, resulted in fully-β microstructures. Below 990°C, Widmanstätten O-phase or α₂-phase precipitated within the?β?grains. The fine-grained as-processed microstructure, which exhibited 90?vol.% β-phase, exhibited excellent strength (UTS?=?916?MPa) and ductility (?_f>12%). After heat treatment, greater volume fractions of the orthorhombic phase precipitated and resulted in lower ? _f values with UTS values ranging between 836–920?MPa. However, RT elongations of more than 2% were recorded for microstructures containing up to 63?vol.% O-phase. Specimens subjected to 650°C tensile experiments tended to exhibit lower strength values while maintaining higher elongation-to-failure. Tensile creep tests were conducted in the temperature range 650–710°C and stress range 49–275?MPa. The measured creep exponents and activation energies suggested that grain boundary sliding operates at intermediate stress levels and dislocation climb is active at high stresses. Microstructural effects on the tensile properties and creep behaviour are discussed in comparison to a Ti–12Al–38Nb O?+?β alloy.     

快速凝固Co-Cu包晶合金的电学性能

研究了Co-Cu包晶合金快速凝固过程中的相选择和组织形成特征, 探索了冷却速率、组织结构和晶体位向与合金电阻率之间的相关规律.实验发现, 快速凝固可使Co在(Cu)中的固溶度扩展至20%.Cu含量大于80%时, L+αCo→(Cu)包晶转变被抑制, (Cu)可从过冷熔体中直接形核析出.Cu含量在40%—70%范围时, Co-Cu合金的液相分离受到抑制, 凝固组织沿条带厚度方向分为两个晶区.细晶区中αCo和(Cu)相竞争形核并生长, αCo枝晶形态细密，细小的（Cu）等轴晶均匀分布于αCo的基体之中.粗晶区αCo相为领先相, 富Cu相分布于αCo枝晶的晶界处.随着冷速的增大, 合金组织显著细化, 晶界增多,对自由电子的散射作用增强, 合金电阻率显著增大.当晶界散射系数r＝0996—0999时, 可采用M-S模型综合分析快速凝固Co-Cu合金的电阻率. 关键词： 电阻率 快速凝固 相结构 晶体生长     

静磁场对镁合金凝固组织的影响

镁合金是一种具有发展潜力的轻合金材料，但尚有待进一步的研究.通过实验研究静磁场作用下镁合金AZ61的凝固过程及其组织，发现在施加静磁场后镁合金的组织发生明显变化，晶界减薄，溶质元素含量在晶内显著增加，而在晶界处略有下降，因此静磁场改善了镁合金的组织，对提高镁合金的性能有重要意义. 关键词： 镁合金 静磁场 溶质元素     

Influence of the mode of deformation on recrystallisation kinetics in Nickel through experiments,theory and phase field model

Abstract

In this paper, we report the influence of the mode of deformation on recrystallisation kinetics through experiments, theory and a phase field model. Ni samples of 99.6% purity are subjected to torsion and rolling at two equivalent plastic strains and the recrystallisation kinetics and microstructure are compared experimentally. Due to significant differences in the distributions of the nuclei and stored energy for the same equivalent strain, large differences are observed in the recrystallisation kinetics of rolled and torsion-tested samples. Next, a multi-phase field model is developed in order to understand and predict the kinetics and microstructural evolution. The coarse-grained free energy parameters of the phase field model are taken to be a function of the stored energy. In order to account for the observed differences in recrystallisation kinetics, the phase field mobility parameter is a required constitutive input. The mobility is calculated by developing a mean field model of the recrystallisation process assuming that the strain free nuclei grow in a uniform stored energy field. The activation energy calculated from the mobilities obtained from the mean field calculation compares very well with the activation energy obtained from the kinetics of recrystallisation. The recrystallisation kinetics and microstructure as characterised by grain size distribution obtained from the phase field simulations match the experimental results to good accord. The novel combination of experiments, phase field simulations and mean field model facilitates a quantitative prediction of the microstructural evolution and kinetics.     

Multi-phase field simulation of competitive grain growth for directional solidification

The multi-phase field model of grain competitive growth during directional solidification of alloy is established. Solving multi-phase field models for thin interface layer thickness conditions, the grain boundary evolution and grain elimination during the competitive growth of SCN-0.24-wt% camphor model alloy bi-crystals are investigated. The effects of different crystal orientations and pulling velocities on grain boundary microstructure evolution are quantitatively analyzed. The obtained results are shown below. In the competitive growth of convergent bi-crystals, when favorably oriented dendrites are in the same direction as the heat flow and the pulling speed is too large, the orientation angle of the bi-crystal from small to large size is the normal elimination phenomenon of the favorably oriented dendrite, blocking the unfavorably oriented dendrite, and the grain boundary is along the growth direction of the favorably oriented dendrite. When the pulling speed becomes small, the grain boundary shows the anomalous elimination phenomenon of the unfavorably oriented dendrite, eliminating the favorably oriented dendrite. In the process of competitive growth of divergent bi-crystal, when the growth direction of favorably oriented dendrites is the same as the heat flow direction and the orientation angle of unfavorably oriented grains is small, the frequency of new spindles of favorably oriented grains is significantly higher than that of unfavorably oriented grains, and as the orientation angle of unfavorably oriented dendrites becomes larger, the unfavorably oriented grains are more likely to have stable secondary dendritic arms, which in turn develop new primary dendritic arms to occupy the liquid phase grain boundary space, but the grain boundary direction is still parallel to favorably oriented dendrites. In addition, the tertiary dendritic arms on the developed secondary dendritic arms may also be blocked by the surrounding lateral branches from further developing into nascent main axes, this blocking of the tertiary dendritic arms has a random nature, which can have aninfluence on the generation of nascent primary main axes in the grain boundaries.     

Soft magnetic properties of amorphous Fe52Co34Hf7B6Cu1 alloy treated by pulsed magnetic field and annealing

<正>The crystallization,microstructure,and soft magnetic properties of Fe₅₂Co₃₄Hf₇B₆Cu₁ alloy are studied.Amorphous Fe₅₂Co₃₄Hf₇B₆Cu₁ alloys are first treated by a pulsed magnetic field with a medium frequency,and then annealed at 100℃-400℃for 30 min in a vacuum.The rise in temperature during the treatment by a pulsed magnetic field is measured by a non-contact infrared thermometer.The soft magnetic properties of specimens are measured by a vibrating sample magnetometer（VSM）.The microstructure changes of specimens are observed by a Mossbauer spectroscopy and transmission electron microscope（TEM）.The results show the medium-frequency pulsating magnetic field will promote nanocrystallization of the amorphous alloy with a lower temperature rise.The nanocrystalline phase isα-Fe（Co） with bcc crystal structure,and the grain size is about 10 nm.After vacuum annealing at 100℃for 30 min,scattering nanocrystalline phases become more uniform,the coercive force and the saturation magnetization of the specimens are 41.98 A/m and 185.15 emu/g.     

Fine-grained structure and properties of a Ni<Subscript>2</Subscript>MnIn alloy after a settling plastic deformation

The structure and properties of a polycrystalline Ni–Mn–In Heusler alloy have been studied after a plastic deformation by upsetting. An analysis of points of a martensitic and magnetic phase transformations shows that the martensite transformation takes place at temperatures lower than the Curie point. At high temperatures in the range 930–1110 K the alloy undergoes the phase transformation of ordered phase L2₁ to disordered phase B2, and the melting temperature of the alloy is 1245 K. The flow curves of the alloy cylindrical samples at temperatures 773, 873, and 973 K have been built. An analysis of the alloy microstructure after upsetting at a temperature of 773 K leads to the conclusion that many macrocracks are initiated in the sample. The treatment at 873 and 973 K causes a fragmentation of the grains with grain sizes from several to several dozen micrometers. However, the upsetting at 873 K leads to insignificant scatter in the grain sizes, and the microstructure is more homogeneous and worked out.