边界热通量作用下枝晶生长相场模型的有限元法模拟

基于Beckermann和Karma枝晶生长相场模型,建立耦合溶质场、温度场的相场模型,采用有限元法对控制方程进行求解,研究凝固过程Al-3.0%(质量分数)Cu合金在边界热通量作用下的枝晶生长行为。结果表明,边界热通量作用能够显著改变凝固前沿的传热和传质,影响枝晶生长形貌。在边界抽热条件下,枝晶前沿温度降低,实际过冷度增大,从而促进二次枝晶生长发育,界面前沿溶质扩散层薄,枝晶微观偏析严重。而边界加热条件下,枝晶前沿温度升高,实际过冷度减小,抑制枝晶生长发育,界面前沿扩散层厚,枝晶微观偏析减弱。     

基于三维LBM-CA模型模拟Al-4.7%Cu合金的枝晶形貌和成分分布

建立了三维格子玻尔兹曼方法(LBM)-元胞自动机(CA)耦合数值模型,并用该模型模拟研究了Al-4.7%Cu(质量分数)固溶体合金的凝固过程。该耦合模型采用元胞自动机方法模拟枝晶的生长,同时采用基于分子动力学理论的格子玻尔兹曼方法模拟合金凝固过程中的温度场、流场以及溶质场。模拟结果再现了合金凝固过程中的三维枝晶形貌变化以及溶质富集过程,并将三维流场因素考虑进去,定量研究了自然对流、过冷度对单枝晶形貌和成分分布的影响。研究表明,在纯扩散条件下,枝晶呈现对称的生长现象,模拟自由枝晶稳态生长的尖端速度、尖端半径和过冷度的关系与Lipton-Glicksman-Kurz(LGK)理论模型吻合得较好。在自然对流条件下,枝晶的生长形貌呈现不对称性,即枝晶生长在迎流方向上得到了促进,在顺流方向上受到了抑制。熔体过冷度对枝晶生长的影响较大,过冷度的增加导致枝晶生长加快,二次枝晶增多且呈现出粗化现象,枝晶尖端固液界面处的溶质浓度偏高,加重了溶质偏析。     

用相场方法模拟Fe-C合金枝晶生长

采用相场法模拟了Fe-0.5%C合金等温凝固过程中单个枝晶和多个枝晶的生长,研究了过冷度、各向异性、界面厚度、晶体取向以及扰动对枝晶形貌的影响,获得了具有二次分枝的枝晶形貌,再现了枝晶生长过程及枝晶臂之间的竞争生长.模拟结果表明:凝固过程中存在溶质富集和枝晶偏析,枝晶主干溶质浓度最低,枝晶臂之间的液相浓度最高.随着过冷度的增大,枝晶生长加快且分枝发达;界面厚度直接影响枝晶的生长速度;各向异性影响枝晶的形态;晶体取向与坐标轴方向一致时枝晶优先生长;扰动的加入导致枝晶分枝的形成.     

Simulation of dendrite growth of Fe–C alloy using phase field method

采用相场法模拟了Fe--0.5%C合金等温凝固过程中单个枝晶和多个枝晶的生长, 研究了过冷度、各向异性、界面厚度、晶体取向以及扰动对枝晶形貌的影响, 获得了具有二次分枝的枝晶形貌, 再现了枝晶生长过程及枝晶臂之间的竞争生长. 模拟结果表明: 凝固过程中存在溶质富集和枝晶偏析, 枝晶主干溶质浓度最低, 枝晶臂之间的液相浓度最高. 随着过冷度的增大, 枝晶生长加快且分枝发达; 界面厚度直接影响枝晶的生长速度; 各向异性影响枝晶的形态; 晶体取向与坐标轴方向一致时枝晶优先生长;扰动的加入导致枝晶分枝的形成.     

高温合金定向凝固过程中枝晶生长与溶质对流数值模拟

目的 针对高温合金叶片在定向凝固过程中容易出现雀斑缺陷,从而导致叶片报废的问题,对定向凝固枝晶生长与溶质对流进行模拟研究,以揭示雀斑缺陷的形成规律。方法 针对CM247LC合金定向凝固过程,采用相场模型模拟凝固过程枝晶生长,采用格子Boltzmann模型模拟溶质浓度差引起的自然对流。采用基于双重网格的GPU并行算法对相场-格子Boltzmann模型进行数值求解。研究在不同晶体取向角度与取向差条件下的枝晶形貌、对流速度及溶质羽流的演变规律。结果 当晶体取向角度不同时,在枝晶生长过程中,液相区域的平均对流速度均表现为周期性变化。当晶体取向角度较大时,随着晶体取向角度的变大,一次枝晶臂间距变大。当枝晶间存在晶体取向差时,溶质羽流倾向于在发散型晶界附近发起;随着晶体取向差的增大,溶质羽流发起时间提前。溶质羽流的形成阻碍了枝晶尖端及附近枝晶侧臂的生长。结论 晶体取向角度对溶质羽流形成的影响较小,较大的晶体取向差对溶质羽流的形成有促进作用。     

强制对流作用下多晶粒生长的相场模拟

采用Tong和Beckermann等提出的耦合流场相场模型对纯镍凝固中多晶粒枝晶的生长过程进行模拟,研究了多晶粒枝晶的生长形貌和温度分布.结果表明,熔体流动显著改变凝固前沿的传热,从而影响枝晶生长.受熔体流动和多晶粒之间相互影响的共同作用,枝晶在4个最优生长方向上的形貌呈现不对称;熔体流动还改变了枝晶的水平最优生长方向,使得水平主枝向上游倾斜;此外,二次枝晶出现径向熔化和轴向熔化等粗化方式.     

溶质梯度系数对二元合金枝晶生长的影响

为了准确描述金属凝固过程中的微观特性,用相场法模拟流场下二元合金的枝晶形貌.结合C.W.Lan提出的耦合流场的相场模型,在溶质场中加入溶质梯度项,研究溶质梯度系数对合金非等温凝固过程中枝晶生长及溶质截留效应的影响.结果表明:随着溶质梯度系数的增大,上游尖端半径和尖端速率都逐渐增大,固相中的溶质浓度显著提高,溶质截留效应更加明显.另外,此模型的计算结果与Oseen-Ivantsov理论符合较好.     

相场法模拟Zn-Al二元合金凝固过程中的枝晶生长

建立了与温度场和溶质场相耦合的 Zn-Al 二元合金枝晶生长的相场模型,用相场法模拟了枝晶形貌及生长过程。通过分析得到的图像,研究了各向异性强度系数、界面动力学系数以及界面能对枝晶生长形貌和枝晶尖端生长速度的影响。结果表明：随着各向异性强度系数的增大,枝晶生长速率增加,且容易出现二次支臂。此外,界面动力学系数和界面能的增大也会不同程度地加速枝晶生长速率并对二次支臂的产生有着较为明显的促进作用。     

溶质对流对SCN-5%ETH模拟合金垂直向上生长的影响

采用实时观测装置和定向凝固系统研究了SCN-5%ETH(succinonitrile-wt%ethanol,wt%表示质量分数)模拟合金的垂直向上生长过程。实验结果与水平定向生长的SCN-5%ETH模拟合金的胞晶组织,枝晶组织以及枝晶间距比较发现,胞晶垂直向上生长引起的溶质对流减小了胞晶的尖端半径,使胞晶组织呈现尖端尖细的形态;枝晶垂直向上生长时,二次枝晶臂生长速度减小,枝晶一次间距和二次臂长度也减小,并且减小幅度随着界面推移速度的增大而减小,枝晶二次间距和水平定向生长时相比有较小幅度的增大。     

强脉冲磁场中Al-Cu共晶定向凝固组织的演变

脉冲磁场作用于Al Cu共晶凝固的界面,研究了定向凝固组织的演变.随着脉冲磁场强度的提高,Al-Cu共晶定向凝固组织经历了由规则柱晶到破碎枝晶、粗化枝晶到重新规则化柱晶三个演化阶段;在重新规则化柱晶试样中,共晶片层间距减小,晶团间富铜相析出明显.将感生电势场与溶质扩散场相耦合,分析了脉冲磁场对凝固界面稳定性的影响,发现强脉冲磁场在金属熔体引起感生电势场效应,在凝固界面前沿诱发具有振荡特征的电致迁移,从而促进晶间扩散和减小成分过冷区域.     

Numerical Simulation of Microstructure and Microsegregation in Ni-Cu Alloy under Isothermal Condition

Phase-field method can be used to describe the complicated morphologies of dendrite growth without explicitly tracking the complex phase boundaries. The influences of initial temperature and initial concentration on dendrite growth are investigated by using the phase-field model coupling concentration field equations. The calculated results indicate that the supersaturation, which is larger in lower initial temperature and lower concentration under isothermal condition, plays a very important role in microsegregation. It is found that the larger supersaturation causes higher degree microsegregation and faster dendrite growth, and the more serious side-branchs occur. The simulated results agree well with the solidification theory.     

Solute Redistribution with Shear Flow in Molten Pool of Ni-Cr Alloy

Columnar grain growth with shear flow in molten pool of Ni-Cr alloy was simulated with a coupled model of grain growth and solute transport.The results indicate that shear flow alters solute distribution at the vicinity of columnar grains.The solute concentration gradient on the upstream side is greater,while that on the downstream side is smaller,leading to asymmetrical growth of columnar grains.In the interior of a columnar grain,solute concentration increases from the bottom to the dendrite tip,but the rate of increase tends to be reduced.The simulated results are consistent with the experiments.     

A Modified Cellular Automaton Model for the Quantitative Prediction of Equiaxed and Columnar Dendritic Growth

Since the characteristic of dendrite is an important factor determining the performance of castings, a twodimensional cellular automaton model with decentered square algorithm is developed for quantitatively predicting the dendritic growth during solidification process. The growth kinetics of solid/liquid interface are determined by the local equilibrium composition and local actual liquid composition, and the calculation of the solid fraction increment is based on these two compositions to avoid the solution of growth velocity. In order to validate the developed model, quantitative simulations of steady-state dendritic features over a range of undercooling was performed and the results exhibited good agreement with the predictions of LGK（Liptone Glicksman-Kurz） model. Meanwhile, it is demonstrated that the proposed model can be applied to simulate multiple equiaxed dendritic growth, as well as columnar dendritic growth with or without equiaxed grain formation in directional solidification of AleC u alloys. It has been shown that the model is able to simulate the growth process of multi-dendrites with various preferential orientations and can reproduce a wide range of complex dendritic growth phenomena such as nucleation, coarsening of dendrite arms, side branching in dendritic morphologies, competitive growth as well as the interaction among surrounding dendrites.     

The effect of shear flow on the dendritic characteristics

Directional dendritic growth of transparent succinonitrile (SCN)–3.5wt.% H₂O alloy in the presence of shear flow is in-situ observed. The variation of dendritic characteristics, including growth tilting angle, primary arms spacing, and dendrite tip radius are quantitatively measured in wide flow rate (U) and pulling rate (V) regimes. The experimental data show that, the titling angle towards the upstream side is in proportional to (U/V)^0.6. This could be explained by the reason that the dendritic growth process is mainly influenced by the solute diffusion competition between lateral direction and normal direction. Based on this, a mathematic model, which agrees well with the experimental data, is proposed to describe the correlation among the dendritic scales, shear flow rate and pulling rate.     

电场对定向凝固类包晶合金凝固组织的影响

为研究直流电流对亚包晶合金凝固过程的影响,选用与亚包晶合金都存在相似凝固过程的AMPD-4.1%SCN透明亚包晶模拟物为研究对象。使用显微镜感光器件(CCD)和智能通讯测温仪表对实验过程进行实时拍照和温度记录,研究了亚包晶透明模拟物在电场作用下的结晶过程和晶体生长规律。结果表明：在电场的作用下,由电迁移效应使定向结晶的亚包晶模拟物的初生β相颗粒逐渐向正极方向迁移,使凝固界面前沿的液相成分与包晶点的成分(0.05%SCN,原子分数)接近,从而促进包晶反应的进行;电场的作用使电流偏聚产生的焦耳热效应和溶质富集引起的成分过冷,使定向凝固的枝晶尖端产生特殊分裂的生长形貌,使枝晶尖端分裂,枝晶间距减小。     

Phase-field simulation for the evolution of solid/liquid interface front in directional solidification process

In this study, the phase field method was used to study the multi-controlling factors of dendrite growth in directional solidification. The effects of temperature gradient, propelling velocity, thermal disturbance and growth orientation angle on the growth morphology of the dendritic growth in the solid/liquid interface were discussed. It is found that the redistribution of solute leads to multilevel cavity and multilevel fusion to form multistage solute segregation, and the increase of temperature gradient and propelling velocity can accelerate the dendrite growth of directional solidification, and also make the second dendrites more developed, which reduces the primary distance and the solute segregation. When the temperature gradient is large, the solid-liquid interface will move forward in a flat interface mode, and the thermal disturbance does not affect the steady state behavior of the directionally solidified dendrite tip. It only promotes the generation and growth of the second dendrites and forms the asymmetric dendrite. Meanwhile, it is found that the inclined dendrite is at a disadvantage in the competitive growth compared to the normal dendrite, and generally it will disappear. When the inclination angle is large, the initial primary dendrite may be eliminated by its secondary or third dendrite.     

Growth direction and Si alloying affecting directionally solidified structures of Al–Cu–Si alloys

The roles of growth direction and Si content on the columnar/equiaxed transition and on dendritic spacings of Al–Cu–Si alloys still remain as an open field to be studied. In the present investigation, Al–6 wt-%Cu–4 wt-%Si and Al–6 wt-%Cu alloys were directionally solidified upwards and horizontally under transient heat flow conditions. The experimental results include tip growth rate and cooling rates, optical microscopy, scanning electron microscopy energy dispersive spectrometry and dendrite arm spacings. It was found that silicon alloying contributes to significant refinement of primary/secondary dendritic spacings for the upward configuration as compared with corresponding results of the horizontal growth. Experimental growth laws are proposed, and the effects of the presence/absence of solutal convection in both growth directions are discussed.     

Generation of uniform tetrapod-shaped zincoxide nanoparticles by gas-phase reaction with using flow restrictor

Tetrapod-shaped ZnO particles are generated via gas-phase reaction of Zn vapor and oxygen in air, where they undergo homogeneous nucleation from supersaturated ZnO vapor and successive growth by surface reaction. It was found that a simple device for flow restrictor is effective in making ZnO particles of terapod-shape by leaving sufficient amounts of unreacted Zn vapor with the embryos of ZnO. In the absence of the flow restrictor, only spherical particles are formed because the oxidation reaction takes place immediately after mixing and unreacted Zn vapor does not remain for the subsequent crystal growth. The Zn vapor concentration distribution, oxygen concentration distribution, temperature, gas velocity and reaction rate in the reactor were analyzed by using a conventional computational fluid dynamic simulation package. The simulation revealed that the flow restrictor does not enhance mixing between Zn vapor and air but suppresses the mixing and reduces the residence time in the reactor so that sufficient amounts of unreacted Zn vapor remain downstream of the flow restrictor, allowing ZnO particles to grow in tetrapod-shape by abnormal crystal growth.