相场法模拟铝合金凝固过程的枝晶演变

本文基于Ginzberg-Landau理论,发展了一个改进的二元合金相场模型.并利用该相场模型与溶质场进行耦合计算,以Al-4.5%Cu合金为例模拟了二元合金等温凝固的枝晶演变过程.实现了逼真地模拟二元合金凝固过程的等轴枝晶演变,得到了二次或更高次晶臂生长等复杂的枝晶形貌.溶质场分布由枝晶生长过程所决定,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;固溶界面区域具有较大的溶度梯度,其中枝晶尖端的梯度最大.相场法模拟计算得到的Peclet数的值与Lvantsov理论计算值吻合较好,从而验证计算结果的正确性.     

CA-LBM模型模拟Al-4.7%Cu固溶体合金成分分布和枝晶形貌

建立了耦合温度场、流场、溶质场的CA-LBM(元胞自动机-格子玻尔兹曼方法)数值模型,并用该模型研究了Al-4.7%Cu固溶体合金的凝固过程。模拟结果验证了模型的合理性,再现了合金凝固过程中的枝晶形貌和溶质偏析,并定量研究了自然对流、初始温度对溶质分布和微观组织的影响。研究表明,自然对流对枝晶形貌有明显的影响,使枝晶生长非对称化,即迎流方向的枝晶生长得到促进,顺流方向的枝晶生长受到抑制。初始温度对凝固进程和枝晶形貌影响较大,降低初始温度,枝晶生长加快且产生了二次枝晶,并造成枝晶尖端固液界面处溶质浓度偏高,加重了溶质偏析。     

二元合金非等温凝固枝晶生长的相场法模拟

利用相场模型与溶质场，温度场进行耦合计算，以Al-4.5%Cu合金为例模拟了二元合金非等温凝固和等温凝固的等轴枝晶生长过程。研究了扰动对过冷合金熔液中的等轴枝晶生长以及溶质场和温度场的分布的影响。结果表明：扰动的引入可以促进枝晶的二次晶臂生长，并使固相中的最高温度提高，但基本不影响枝晶尖端稳定行为；在枝晶生长过程中枝晶尖端的浓度和温度的梯度最大；在非等温凝固时枝晶没有等温凝固时发达，并且凝固界面的溶质浓度也会降低。     

Al-Si二元合金微观偏析的相场法模拟

采用耦合溶质场的相场模型模拟了亚共晶Al-2mol%Si二元合金枝晶生长过程,研究了不同过冷度条件下枝晶的生长形貌以及沿生长方向溶质浓度的分布情况,同时分析了固相溶质扩散系数对微观偏析的影响。结果表明:过冷度对溶质的分布有较大影响,过冷度的增加使凝固界面溶质的富集程度增大;增大固相溶质扩散系数,溶质的微观偏析程度减轻;计算结果与Ivantsov理论值能够较好的吻合。     

二元合金非等温凝固过程的相场法模拟

基于Ginzburg-Landau理论,发展了一个新的相场模型.并利用该相场模型与溶质场、温度场进行耦合计算,以Al-6.5Cu合金为例模拟了二元合金非等温凝固和等温凝固的等轴枝晶生长过程.研究了凝固潜热对过冷合金熔液中的等轴枝晶生长以及溶质场和温度场的分布的影响.结果表明:潜热的释放在一定程度上抑制了枝晶的生长,使非等温凝固时枝晶没有等温凝固时发达,并且凝固界面的溶质浓度也会降低,但不会改变在枝晶生长过程中浓度分布情况.而且非等温凝固时的Peclet数值与Ivantsov理论值符合得更好.     

过冷熔体定向凝固过程枝晶生长的相场法模拟

利用二元合金相场模型与溶质场进行耦合计算，以Al-4．5％Cu合金为例模拟了二元合金定向凝固的枝晶生长过程。研究了不同过冷度下二元合金过冷熔体定向凝固时枝晶的演化过程及其溶质场的分布情况。结果表明：利用相场模型可以逼真地模拟枝晶的生长过程，以及界面形貌从平界面向柱状晶生长的转变，可再现枝晶演变过程中相互之间的竞争生长和熔合现象。     

铝基四元合金枝晶组织及微观偏析的数值模拟

建立了基于元胞自动机(CA)和热力学相平衡计算引擎(PanEngine)的二维耦合模型,并应用于铝基四元合金枝晶组织和微观偏析的数值模拟.在该耦合模型中,采用CA方法模拟枝晶组织的演变.以固/液界面的平衡液相线温度和实际温度的差值作为枝晶生长的驱动力,同时考虑了固/液界面曲率的Gibbs-Thomson效应.通过求解溶质传输方程获得固/液界面处三种溶质的液相成分,耦合PanEngine获得固/液界面处的平衡液相线温度及三种溶质的平衡固相成分,为提高计算效率,采用预制数据表格的优化策略将CA与PanEngine进行耦合.将Al-4.5Cu-0.5Mg-1Si(质量分数,%)四元合金凝固时的固相分数随温度的变化以及固相分数和固相成分分布关系的模拟结果与Scheil模型和平衡凝固模型的预测结果进行了对比,结果表明,该模型不仅可应用于模拟多元合金中的枝晶生长形貌,而且能对铝基四元合金系凝固的微观偏析进行定量预测.     

MODELING OF DENDRITIC STRUCTURE AND MICROSEGREGATION IN SOLIDIFICATION OF AL-RICH QUATERNARY ALLOYS

建立了基于元胞自动机(CA)和热力学相平衡计算引擎(PanEngine)的二维耦合模型, 并应用于铝 基四元合金枝晶组织和微观偏析的数值模拟. 在该耦合模型中, 采用CA方法模拟枝晶组织的演变. 以固/液界面的平衡液相线温度和实际温度的差值作为枝晶生长的驱动力, 同时考虑了固/液界面曲率的Gibbs-Thomson效应. 通过求解溶质传输方程获得固/液界面处三种溶质的液相成分, 耦合PanEngine获得固/液界面处的平衡液相线温度及三种溶质的平衡固相成分. 为提高计算效率, 采用预制数据表格的优化策略将CA与PanEngine进行耦合. 将Al-4.5Cu-0.5Mg-1Si(质量分数, %)四元合金凝固时的固相分数随温度的变化以及固相分数和固相成分分布关系的模拟结果与Scheil模型和平衡凝固模型的预测结果进行了对比, 结果表明, 该模型不仅可应用于模拟多元合金中的枝晶生长形貌, 而且能对铝基四元合金系凝固的微观偏 析进行定量预测.     

应用连续性方法模拟枝晶生长

为了能够从微观尺度上准确的描述凝固过程中枝晶生长情况，采用连续性模型使界面区域内的物理性质不连续现象变成连续型过渡，此外在界面区域内用平均溶质浓度来保证溶质守恒，模拟结果表明这种方法能够很好的处理固／液两相物理性质的差异，显示凝固过程中枝晶的生长、界面失稳、二次枝晶臂、三次枝晶臂的演化和显微偏析。     

相场法模拟对流作用下铝合金的枝晶生长

基于现有二元合金纯扩散相场模型,建立了耦合流场和溶质场的相场模型,采用有限体积法和有限差分法对控制方程进行数值求解,模拟了对流作用下二元合金等温凝固过程中枝晶的生长,研究了过冷度对枝晶生长形貌和溶质场的影响,分析了枝晶主轴中心方向的溶质分布.结果表明:过冷度越大,枝晶的生长速率越快,固液界面前沿溶质扩散层越薄,溶质梯度越大.     

INTERACTION OF PARTICLES WITH A SOLIDIFIED INTERFACE DURING SOLIDIFICATION OF METAL MATRIX COMPOSITE REINFORCED WITH PARTICLES

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L2 droplet interaction with α-Al during solidification of hypermonotectic Al–8 wt.% Bi alloys

Studies of Al-based hypermonotectics have so far focused mainly on droplet motion and coagulation dynamics, with limited attention given to the interaction between droplets and the advancing solidification front which is decisive for the final distribution of the second phase within the α-Al matrix. The current work presents results from directional solidification experiments with Al–8 wt.% Bi alloys. It was found that droplets with large radii were frequently pushed and small droplets were engulfed. This is contradictory to the many models that have been proposed to explain pushing/engulfment of solid particles and can in part be ascribed to the fact that while solid-particle models only consider single, non-interacting particles that remain unaffected by solutal gradients ahead of the advancing solidification front, droplet–droplet interaction and local solute gradients have been found to be critical for droplet pushing/engulfment behaviour in hypermonotectic alloys.     

复合材料凝固过程中的颗粒/界面行为数学模型

根据颗粒增强金属基复合材料凝固过程中的颗粒 /界面作用微观机理 ,导出颗粒附近温度场 ,液 /固界面形状 ,颗粒受力情况及颗粒吞并 /推移临界条件数学模型。分析了热导率、颗粒尺寸和凝固速度不同对颗粒 /界面行为的影响。     

Computer modeling of particle pushing and clustering during matrix crystallization

Two-dimensional cellular automaton computer simulations were carried out to model the geometric interaction between mobile, equiaxed particles and growing matrix grains, thus simulating crystallization (respectively, recrystallization, phase transformation or solidification) of a matrix material containing a mobile second phase (e.g. solid particles, liquid droplets or gas bubbles). The model allows the study of particle pushing by growing grains, which leads to particle accumulation and clustering at grain boundaries and triple points, and concomitant particle depletion within grains. Parameters explored are particle area fraction, particle settling speed, particle cluster mobility and grain nucleation rate under continuous nucleation conditions. These parameters are found to strongly affect the particle spatial distribution and clustering during and after crystallization. Conversely, the particles have no measurable effect on the grain shape or size. Finally, site-saturated nucleation at the boundaries of the simulation field is investigated, simulating e.g. solidification from crucible walls or recrystallization from sample edges. Pronounced clustering of particles takes place at grain boundaries and is further accentuated by particle settling.     

原位TiC/金属基激光熔覆涂层的微结构特征

利用激光熔覆制备了原位形成TiC陶瓷颗粒增强金属基复合材料涂层 ,TiC为熔覆时原位形成。颗粒细小弥散 ,具有内晶型及密度梯度分布特征 ;HREM观察表明 ,TiC/基体界面结构具有洁净及微晶过渡特征 ,无界面反应物 ;熔覆组织具有较高的显微硬度及耐磨性。     

颗粒增强金属基复合材料凝固过程的数值模拟研究进展

综述了颗粒增强金属基复合材料凝固过程数值模拟在宏观和微观两方面的主要研究进展情况。宏观部分着重介绍了一种耦合质量、动量，能量及溶质平衡方程的多相模型。微观部分介绍了临界速率确定模型并指出模拟的关键在于对颗粒／凝固界面相互作用、微观组织及使用性能的准确预测。最后指出了该研究领域目前存在的问题及发展方向。     

连续凝固偏晶合金薄带凝固组织进化过程模拟

分析了偏晶合金薄带垂直连续凝固过程,发展了描述该条件下偏晶合金凝固组织演变的数学模型,将计算的温度场和浓度场与凝固组织演变的控制方程相耦合,模拟了Al-5Pb(质量分数．%)合金的凝固过程．结果表明．在固/液界面前存在一过冷区、弥散相液滴在此区间内形核,这些液滴在移向凝固界面的过程中进行扩散长大,随着凝固速度的提高,形核率升高,弥散相液滴的数量密度增大．平均半径减小。     

Modeling the overall solidification kinetics for undercooled single-phase solid-solution alloys. I. Model derivation

Departing from the volume-averaging method, the equiaxed solidification model was extended to describe the overall solidification kinetics of undercooled single-phase solid-solution alloys. In this model, a single grain, whose size is given assuming site saturation, is divided into three phases, i.e. the solid dendrite, the inter-dendritic liquid and the extra-dendritic liquid. The non-equilibrium solute diffusion in the inter-dendritic liquid and the extra-dendritic liquid, as well as the heat diffusion in the extra-dendritic liquid, is considered. The growth kinetics of the solid/liquid interface is given by the solute or heat balance, where a maximal growth velocity criterion is applied to determine the transition from thermal-controlled growth to solutal-controlled growth. A dendrite growth model, in which the nonlinear liquidus and solidus, the non-equilibrium interface kinetics, and the non-equilibrium solute diffusion in liquid are considered, is applied to describe the growth kinetics of the grain envelope. On this basis, the solidification path is described.     

Application of the maximal entropy production principle to rapid solidification: A multi-phase-field model

Because the Cahn–Hillard and Allen–Cahn equations cannot deal with the additional constraints in the multi-phase-field models, several approximate treatments, e.g. a specific partition relation and the condition of equal or unequal diffusion potentials, were proposed. In this paper, the problem is solved successfully by the maximal entropy production principle and a model is developed for rapid solidification of a binary alloy system. Due to the mixture law used to define the free energy density, solute concentration and chemical potential jumps happen at an “imaginary” sharp interface between solid and liquid. The solute diffusions in solid and liquid are described by two independent equations and additional non-linear equations do not need to be employed to fix the solute concentrations of solid and liquid. Application to solute trapping during rapid solidification of Si–9 at.% As alloy shows that a good agreement between the model predictions and the experimental results is obtained. The interface and bulk contributions are decoupled at very low and very high interface velocities and in other cases the interaction between them depends weakly on the interface velocity.