过冷熔体中非等温凝固枝晶生长相场法模拟

基于二元合金相场模型,建立了耦合溶质场和温度场的相场模型.采用有限差分法对控制方程进行了数值求解,模拟了Al-Cu二元合金非等温凝固时枝晶生长过程,研究了过冷度对等轴枝晶生长行为的影响.结果表明:过冷度越大,枝晶的侧向越发达,甚至三次枝晶出现,枝晶尖端生长速度越大,计算范围内温差越大.     

强迫对流下各相场参数对枝晶生长的影响

基于耦合流场的相场模型,采用有限差分法,研究了各相场参数对纯金属凝固过程中的枝晶生长的影响.结果表明,对流作用下枝晶形貌发生了很大变化,上游枝晶的枝晶臂最长,下游枝晶臂最短,水平方向枝晶臂介于两者之间;过冷度越大,上游及水平方向侧枝越发达;各向异性系数越大,主枝晶枝晶臂越瘦长,二次枝晶间距越小;对流速度越大,上游枝晶生长越快.     

纯Ni枝晶生长过程的相场法数值模拟

采用凝固过程相场模型,对纯Ni过冷熔体中的枝晶生长过程进行了计算模拟,研究了各向异性强度、过冷度、扰动等对枝晶生长的影响.结果表明:随着各向异性强度的增大,枝晶尖端生长速度加快,枝晶结构特征愈加明显;随着过冷度的增加,枝晶尖端稳定性遭到破坏,甚至出现分叉;扰动会促发侧向分枝的形成,但不影响枝晶尖端的稳态生长行为.     

强迫对流影响合金凝固过程枝晶生长的数值模拟

利用耦合溶质场与流场的相场模型,对Al-2.5Cu合金等温凝固时枝晶生长过程进行了模拟.研究了强迫对流、扰动强度及各向异性强度对枝晶生长形貌的影响.结果表明,在流场作用下,枝晶呈非对称性生长,上游的生长速度大于下游;对流影响溶质场的分布,将溶质从上游冲刷到下游,使得上游液相中的浓度低于下游;扰动强度越大,诱发的侧向分枝越多,二次枝晶越发达;各向异性强度越大,枝晶尖端的生长速度越快,曲率半径越小.     

二元合金非等温凝固相场法模拟

利用耦合温度场与溶质场的相场模型对Al-Cu二元合金非等温凝固时枝晶生长过程进行了模拟。研究了人为变化的不同热扩散系数对枝晶生长行为的影响。计算结果表明：随着热扩散系数的减小，潜热释放对熔体内原有温度场的影响也减小，熔体内过冷度能够更好地保持；而枝晶尖端生长速度将增大．枝晶呈现出更发达的侧向分支；同时，溶质偏析程度也越小。将计算模拟结果和实验结果进行了比较，两者吻合良好。     

基于KKS模型三元合金等温凝固相场法模拟

基于KKS模型，采用相场和溶质场两场耦合的方法，对Fe-0．5％C-0．02％P（摩尔分数）合金凝固过程枝晶生长进行了数值模拟。研究了不同过冷度和各向异性系数对枝晶生长的影响。结果表明，在过冷度较大的时候，枝晶生长的各向异性表现的并不明显；当过冷度较小时，各项异性体现的很明显；在没有加扰动的情况下，当过冷度足够小时，会出现二次枝晶，并伴随着重熔脱落等现象；当各向异性系数足够大时，也会出现二次枝晶和二次枝晶的脱落现象。     

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.     

相场法模拟丁二腈枝晶生长研究

基于相场方法对纯物质的凝固,进行了二维数值模拟.以丁二腈（SCN）为例,展示了界面形貌的演化过程,研究了相场参数对枝晶界面形貌的影响.结果表明,随着各向异性值的增加,晶核由一圆核逐渐发展为发达的枝晶,当γ=1/15时与γ=0一样,晶核生长为一圆核;随着过冷度的增大,二次枝晶出现并长大,枝晶的稳态尖端速度呈递增趋势,且增加趋势明显加快;随着耦合系数的增大,枝晶稳态尖端速度呈递增趋势,且耦合系数越大,界面的稳定性越差.     

扰动影响枝晶生长的相场法模拟

采用耦合扰动的相场模型，对枝晶生长过程进行模拟，研究了热扰动强度对枝晶形貌的影响以及热扰动和相场扰动对枝晶侧向分枝形成的影响。结果表明，随着热扰动幅值的减小，枝晶尖端分叉程度减小，横向的二次枝晶变得发达，纵向的二次枝晶退化，doublon结构消失，形成了高度对称的枝晶结构；热扰动能够引发枝晶的侧向不稳定，是侧向分枝形成的主要原因，相场扰动对侧向分枝的贡献不大，在计算中一般可以忽略；当Fo取值适当时，热噪声的引入能引发侧向分枝，但不改变枝晶尖端的稳态行为。     

过冷度对Ni-Cu合金枝晶偏析影响的相场法模拟

采用耦合热扰动的相场模型,对Ni-Cu合金枝晶生长中的枝晶形貌和微观偏析进行计算和分析,并研究过冷度对其凝固过程中溶质分布的影响。结果表明:随着过冷度的增加,二次枝晶变的更发达,枝晶主干变细,一次枝晶干轴对称中心处的溶质浓度升高,一次枝晶干和二次枝晶臂间富集的溶质更多。过冷度越大,固液界面前沿溶质扩散层越薄,枝晶的微观偏析越严重,即溶质微观偏析程度随过冷度的增大而增大。     

镁合金枝晶生长的相场法研究

采用有限差分法求解考虑界面能各向异性的相场模型,对镁合金枝晶生长过程进行了模拟计算,研究了无量纲过冷度和各向异性强度对枝晶生长行为的影响。结果表明:镁合金枝晶在二维平面上具有6个最优生长方向,优先生长方向上枝晶生长迅速,形成枝晶主干,枝晶形貌具有六重对称性。随着过冷度和各向异性强度的增加,枝晶形貌由光滑的类六边形向具有侧向分支的六重对称形貌转变,温度扩散层由类球形向星形过渡,枝晶尖端生长速率增加,尖端曲率半径和温度值减小。     

HCP材料强界面能各向异性的相场模型

基于Karma模型和Eggleston修正强界面能各向异性的方法,建立HCP材料的强界面能各向异性相场模型。采用有限差分法对控制方程进行数值求解,模拟研究HCP材料的枝晶生长行为。结果表明：枝晶形貌呈现出明显的六重对称性,界面方向不连续,导致在主枝和侧枝的尖端出现棱角。当界面能的各向异性强度低于临界值（1/35）时,枝晶尖端稳态生长速度随着各向异性强度的增加而增加;当界面能各向异性强度值超过临界值时,尖端稳态生长速度降低0.89%;当进一步增加各向异性强度值时,尖端稳态速度增加且在各向异性强度值为0.04时达到极大值,随后减小。     

用相场法模拟纯铝的枝晶生长

利用相场法微观组织数值模拟技术,对纯铝物质的枝晶生长过程进行了仿真.研究了初始晶核半径、空间步长和各向异性对纯铝枝晶生长的影响.通过计算结果表明,在保证初始晶核半径不被熔化前提下,初始晶核半径不影响枝晶形貌;空间步长取值应在0.2d0～0.6d0范围内;各向异性趋于增大枝晶尖端生长速度,减小枝晶尖端半径.     

Phase-field modeling of dendritic growth of magnesium alloys with a parallel-adaptive mesh refinement algorithm

A two-dimensional phase field (PF) model was developed to simulate the dendritic solidification in magnesium alloy with hcp crystal structure.By applying a parallel-adaptive mesh refinement (Para-AMR) algorithm,the computational efficiency of the numerical model was greatly improved.Based on the PF model,a series of simulation cases were conducted and the results showed that the anisotropy coefficient and coupling coefficient had a great influence on the dendritic morphology of magnesium alloy.The dendritic growth kinetics was determined by the undercooling and equilibrium solute partition coefficient.A significant finding is acquired that with a large undercooling,the maximum solute concentration is located on both sides of the dendrite tip in the liquid,whereas the maximum solute concentration gradient is located right ahead of the dendrite tip in the liquid.The dendrite tip growth velocity decreases with the increase of the equilibrium solute partition coefficient,while the variation trend of the dendrite tip radius is the opposite.Quantitative analysis was carried out relating to the dendritic morphology and growth kinetics,and the simulated results are consistent with the theoretical models proposed in the previously published works.     

三维枝晶生长数值模拟及实验验证(英文)

建立了用于模拟立方晶系合金三维枝晶生长的改进元胞自动机模型。该模型将枝晶尖端生长速率、界面曲率和界面能各向异性的二维方程扩展到三维直角坐标系,从而能够描述三维枝晶生长形貌演化。应用本模型模拟在确定温度梯度和抽拉速度条件下三维柱状晶生长过程的一次臂间距调整机制和不同择优取向柱状晶之间的竞争生长。使用NH4Cl?H2O透明合金进行凝固实验,模拟结果和实验结果吻合较好。     

Numerical simulation of facet dendrite growth

Numerical simulation based on phase field method was performed to describe the solidification of silicon. The effect of anisotropy, undercooling and coupling parameter on dendrite growth shape was investigated. It is indicated that the entire facet dendrite shapes are obtained by using regularized phase field model. Steady state tip velocity of dendrite drives to a fixed value when γ≤0.13. With further increasing the anisotropy value, steady state tip velocity decreases and the size is smaller. With the increase in the undercooling and coupling parameter, crystal grows from facet to facet dendrite. In addition, with increasing coupling parameter, the facet part of facet dendrite decreases gradually, which is in good agreement with Wulfftheory.     

用CA方法模拟过冷熔体中自由树枝晶的生长

基于溶质扩散和界面能的作用，建立了过冷熔体中自由树枝晶的生长模型，考虑了成分过冷、曲率过冷和界面能各向异性，用胞元自动机（CA）方法模拟了枝晶生长、界面扰动以及分枝的竞争演化，对枝晶尖端生长速度和过冷度的关系进行了模拟计算，并与L-G-K理论模型进行了定量的比较。     

Effect of interface anisotropy on spacing selection in constrained dendrite growth

The selection of spacing in directional dendritic solidification is investigated numerically using the phase-field method in two and three dimensions. A criterion for the critical spacing below which no stable array growth can exist is derived from analysis of individual tip shapes. Constricted solute diffusion in the array leads to a deformation of the dendrite tip shape that competes with the deformation due to surface tension anisotropy. At the critical spacing both effects balance and a stable growth solution is destroyed. This mechanism is identified to determine the critical spacing of a dendritic array and leads to a dependence of the spacing on the anisotropy of the solid–liquid interface energy in a similar way as for the dendrite tip radius.     

Phase field method simulation of faceted dendrite growth with arbitrary symmetries

A numerical simulation based on a regularized phase field model is developed to describe faceted dendrite growth morphology. The effects of mesh grid, anisotropy, supersaturation and fold symmetry on dendrite growth morphology were investigated, respectively. These results indicate that the nucleus grows into a hexagonal symmetry faceted dendrite. When the mesh grid is above 640×640, the size has no much effect on the shape. With the increase in the anisotropy value, the tip velocities of faceted dendrite increase and reach a balance value, and then decrease gradually. With the increase in the supersaturation value, crystal evolves from circle to the developed faceted dendrite morphology. Based on the Wulff theory and faceted symmetry morphology diagram, the proposed model was proved to be effective, and it can be generalized to arbitrary crystal symmetries.