多元多相合金凝固理论模型的研究进展

工业合金多组元的特点使得多元合金的凝固成为凝固理论研究的重点。由于其复杂性,多元合金的凝固理论研究远远滞后于二元合金,仅在近年来取得一些进展。对这些研究进展进行了综述分析。首先从热力学分析入手,探讨了多元合金凝固过程的溶质再分配特性、凝固路径及相析出规律。进而分析了多组元合金初生单相凝固过程形态演变的理论研究方法和进展。最后简要讨论了多相凝固组织形态的形成原理。     

镍基高温合金定向凝固斑点偏析的数值模拟研究

为了研究铸造高温合金中的斑点偏析，建立了描述多元合金凝固过程传输行为的数学模型。基于伪二元相图方法，模型给出了液相线温度与固相分数及液相多元溶质浓度的耦合关系式。利用该模型对Ni-5．8Al-15．2Ta（质量分数，％）合金铸锭的垂直定向凝固过程进行了模拟。结果表明：该模型能够反映多组元镍基高温合金凝固过程中斑点偏析的形成及发展过程。凝固界面前沿附近热-溶质双扩散对流引起的密度倒置，是诱发斑点偏析的主要原因。在糊状区中形成的偏析通道中，富集溶质从糊状区流向液相区，通道周围局部流动可以通过糊状区从液相区补充通道中的流动。凝固初期形成的通道不能稳定存在，多个通道合并促使局部凝固前沿优先生长，最终形成稳定的偏析通道。     

Al-Si-Mg三元合金的溶质分凝及其对凝固过程的影响

从热力学角度分析了三元合金凝固过程中的溶质分凝行为, 利用耦合热力学计算技术研究了Al-Si-Mg三元合金溶质分凝因数在凝固过程中的变化规律, 获得了其与固相体积分数的定量关系, 进而预测了不同条件下Al-Si-Mg三元合金的凝固过程和相析出规律. 实验发现三元合金中溶质分凝因数在凝固过程变化巨大, 采用二元系中的参数使得对共晶种类和共晶分数的预测均与实验值有较大偏差. 采用耦合热力学计算技术, 获得了分凝因数在凝固过程中的变化规律, 使预测值更好地吻合于实验结果.     

凝固路径对Al-4.5%Cu合金显微偏析参数影响的数值模拟

通过对Al-4.5%Cu合金铸锭显微偏析形成的数值模拟,研究了凝固路径对凝固后铸锭不同位置处显微偏析参数的影响.在显微偏析模型中考虑了树枝晶粗化、固相溶质逆扩散、枝晶尖端过冷、随温度变化的溶质扩散系数等影响显微偏析形成的动力学因素.数值方法中采用变网格技术跟踪移动界面,通过迭代求解溶质扩散方程和溶质守恒方程计算显微偏析参数.结果表明,对于Al-Cu合金,固相扩散主要由溶质扩散速率控制,而非局部凝固时间.显微偏析参数不仅取决于局部凝固时间,还要考虑凝固路径的影响.     

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。     

相场法对比模拟二元合金等温/非等温凝固过程(英文)

基于熵函数建立二元合金的二维相场模型,采用基于均匀网格的有限差分法求解相场和溶质场控制方程;为了避免时间步长的限定,采用交替隐式差分法(ADI)求解温度场控制方程。对Ni-Cu合金非等温凝固过程的部分特征进行模拟研究,对比分析二元合金等温/非等温凝固过程。模拟结果表明:非等温模型更能有效地模拟二元合金的实际凝固过程,并且随着热扩散系数的减小,非等温相场模型逐渐向等温相场模型回归。     

自然对流作用下Al-Si合金凝固过程的组织演变模拟

通过实验观察Al-Si合金的凝固组织,测量枝晶组织的二次枝晶臂间距,并分析温度对凝固组织的影响。在相场模型中引入重力引起的自然对流以预测实验条件下Al-Si合金凝固组织的演变。模拟结果与实验结果吻合良好,验证了本文中提出的模拟方法的可靠性。基于本文的耦合模型,开展一系列不同溶质含量合金柱状晶和等轴晶组织生长的二维和三维模拟,发现合金中溶质含量对凝固组织的演变几乎没有影响,而溶质膨胀系数对枝晶尖端移动速度有显著影响。本文中采用的算法极大地加快计算效率,因此,大规模的数值模拟使难以直接通过同步辐射实验观察的Al-Si合金凝固组织演变过程的研究成为可能。     

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.     

溶质偏析对铸造铝合金疏松缩孔缺陷的影响

研究了溶质偏析行为对铝合金凝固过程中缩孔疏松缺陷的影响。分析不同偏析模型(杠杆定律、Scheil模型、逆扩散模型)下合金的溶质再分配与热物性参数;采用Pro CAST有限元模拟软件包的Niyama判据预测不同偏析模型下凝固缩孔疏松缺陷的形成趋势,并结合试验结果给出溶质偏析对凝固缺陷的影响。     

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.     

Modeling of precipitate-free zone formed upon homogenization in a multi-component alloy

A comprehensive model is presented for the simulation of microstructure evolution during industrial solidification and homogenization processing of aluminum alloys. The model combines on the one hand microsegregation due to long-range diffusion during solidification and subsequent heat treatment with, on the other hand, precipitation in the primary Al phase. The thermodynamic data are directly obtained from a CALPHAD (CALculation of PHAse Diagrams) approach to thermodynamic equilibrium in multicomponent systems. The model is applied to the prediction of structure and segregation evolutions in a 3003 aluminum alloy for typical industrial solidification and homogenization sequences. It is shown that: (i) accounting for the nucleation undercooling of the eutectic/peritectic structures solidifying from the melt is essential to retrieval of the measured volume fractions of intergranular precipitates; (ii) calculations of intragranular precipitation are generally not applicable if long-range diffusion is neglected; (iii) the precipitate-free zone can be quantitatively predicted only based on the coupling between intergranular and intragranular precipitation calculations.     

镁合金铸造成形过程宏观／微观模拟

通过研究镁合金压铸过程中界面热,采用热传导反算法确定压铸过程的界面换热系数,研究镁合金压铸过程中工艺参数及凝固过程对铸件界面换热系数的影响规律,建立镁合金压铸过程界面换热边界条件的处理模型,以实现镁合金压铸过程中凝固过程的准确预测。通过实验研究镁合金压铸过程中凝固组织,建立了镁合金压铸过程中形核模型。采用CA方法,建立了镁合金枝晶生长模型,以实现镁合金凝固组织的预测。采用相场方法研究了镁合金枝晶生长形貌。     

Determining hot cracking index of Al–Mg–Zn casting alloys calculated using effective solidification range

The possibility of determining the hot cracking index using the calculated value of the effective solidification range is investigated for multicomponent cast aluminium alloys based on the Al–Mg–Zn system with Mn, Ni, Fe and Si additives. The upper limit of the effective solidification range was calculated as the temperature of formation of a 65?wt-% solid phase using the Sheil model. The linear relationship of the hot cracking index and the effective solidification range in the industrial and experimental multicomponent alloys based on the Al–Mg–(Zn) system is demonstrated.     

多元合金激光增材制造凝固组织演变模拟

针对多元合金激光熔覆过程,基于有限元方法和元胞自动机技术建立了多元合金激光熔覆熔池三维传热传质及凝固组织形貌演变模型,通过自行开发的宏微观耦合接口程序实现了三维熔池模型和多元合金凝固组织演变模型的耦合. 针对IN718激光熔覆过程中的传热传质和凝固组织演变过程进行了模拟,研究了基板初始晶粒尺寸、异质形核及多层熔覆扫描路径对熔覆层凝固组织形貌的影响机理,并对模拟结果进行了试验验证. 结果表明,模拟结果与实际物理过程吻合较好,所开发的耦合模型能够真实反映多元合金激光熔覆过程.     

Determining hot cracking index of Al–Si–Cu–Mg casting alloys calculated using effective solidification range

The possibility of determining the hot cracking index using the calculated value of the effective solidification range is investigated for multicomponent cast aluminium alloys based on the system Al–Si–Cu–Mg with Mn, Ni, Fe and Zn additives. The upper limit of the effective solidification range was calculated as the temperature of formation of 65 wt-% solid phase using Sheil model. The linear relationship of the hot cracking index and the effective solidification range in the industrial and experimental multicomponent alloys based on the Al–Si–Cu–Mg system is demonstrated.     

Phase-field modelling of as-cast microstructure evolution in nickel-based superalloys

A modelling approach is presented for the prediction of microstructure evolution during directional solidification of nickel-based superalloys. A phase-field model is coupled to CALPHAD thermodynamic and kinetic (diffusion) databases, so that a multicomponent alloy representative of those used in industrial practice can be handled. Dendritic growth and the formation of interdendritic phases in an isothermal (2-D) cross-section are simulated for a range of solidification parameters. The sensitivity of the model to changes in the solidification input parameters is investigated. It is demonstrated that the predicted patterns of microsegregation obtained from the simulations compare well to the experimental ones; moreover, an experimentally observed change in the solidification sequence is correctly predicted. The extension of the model to 3-D simulations is demonstrated. Simulations of the homogenization of the as-cast structure during heat treatment are presented.     

The Solidification of Multicomponent Alloys

Various topics taken from the author’s research portfolio that involve multicomponent alloy solidification are reviewed. Topics include: ternary eutectic solidification and Scheil-Gulliver paths in ternary systems. A case study of the solidification of commercial 2219 aluminum alloy is described. Also presented are modifications of the Scheil-Gulliver analysis to treat dendrite tip kinetics and solid diffusion for multicomponent alloys.     

A phase field model for isothermal solidification of multicomponent alloys

With the ability to model the kinetics and the pattern formation for solidification, a phase field model has been studied by many scientists. Currently available models, however, are restricted not only to binary alloys but also to those with substitutional solute elements. In this work, a new phase field model is developed to study solidification of a multicomponent alloy containing substitutional as well as interstitial solute elements. By employing the number of moles per unit volume as the concentration variable, the evolution equations of both the phase field and the concentration fields are derived from the free energy functional in the thermodynamically consistent way. In the model, the interfacial region is assumed to be a mixture of solid and liquid with the same composition, but with different chemical potentials. Based on this assumption, the phase field parameters are matched to the alloy properties and an interface thickness limitation is also deduced. Using the chemical rate theory, the phase field mobility is determined at a thin-interface limit condition under the assumption of negligible diffusivity in the solid phase. Another advantage of the model is that any thermodynamic database available in the literature can be directly ported to the model such that quantitative results for solidification of the real alloy systems could be made. As an example, a dendritic growth in an Fe-Mn-C ternary alloy is examined with the thermodynamic data from the commercial software Thermo-Calc code.     

Microstructural modeling of the homogenization heat treatment for AA3XXX alloys

The microstructure evolution during homogenization of AA3XXX alloys involves i) the reduction in the microsegregation formed during solidification, ii) the nucleation, growth and coarsening of intra-granular dispersoids, and iii) the growth/dissolution of inter-granular constituent particles. A model that is able to simulate these phenomena and their interaction has been developed recently. It features fully coupling with CALPHAD software. In this paper, the homogenization model is introduced and its predictive power is demonstrated by successfully reproducing experimentally measured microstructure features for an industrial extrusion alloy (AA3003). As such, the model represents a valuable tool for optimizing the design of industrial AA3XXX alloy homogenization heat treatment parameters.     

热处理对不同冷速Al合金共晶相形貌及含量的影响

选取成分为Al-5.17Cu-2.63Si(合金A)、Al-4.29Cu-1.09Mg(合金B)和Al-2.09Si-1.66Mg(合金C)三元铝合金,分别进行不同冷速下的凝固实验。对比研究不同凝固速率下得到的共晶相形貌与含量在接近各合金体系三元共晶温度下热处理前后的变化行为。结果表明:同一合金冷速越慢,得到的原始组织二次枝晶间距越大,合金A的石墨型、砂型、保温型冷却组织的二次枝晶间距分别为24.17、63.32和99.88μm,合金B的二次枝晶间距分别为24.35、82.78和139.42μm。均匀化热处理的热扩散过程可以明显地溶解非平衡共晶相,由于原始组织的尺度不同,共晶相所处的溶解阶段与溶解程度不同。合金A的石墨型、砂型、保温型组织热处理后与热处理前的共晶相含量比值分别为0.44、0.49和0.68,合金B的共晶相含量比值分别为0.084、0.30和0.38。