二元合金等温凝固过程的相场模型

基于Ginzberg-Landau理论，发展了一个与WBM模型和KKS模型一致的新相场模型.并利用该相场模型与溶质场耦合计算，以Al-65%Cu合金为例模拟了不同过冷度条件下，二元合金凝固过程的等轴枝晶生长过程.研究过冷度对二元合金等温凝固过程的等轴枝晶生长以及溶质场分布的影响.结果表明：随着过冷度的增大，枝晶的二次枝晶更加发达，浓度Peclet数和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 枝晶生长 溶质场 Ivantsov理论     

CA-LBM模型模拟自然对流作用下Al-4.7%Cu合金的枝晶生长

建立耦合温度场、流场、溶质场的CA-LBM(元胞自动机格子玻尔兹曼方法)数值模型模拟了Al-4.7%Cu固溶体合金的凝固过程。模拟结果再现了自然对流条件下单个枝晶、多个枝晶的生长以及柱状晶向等轴晶转变过程。研究结果表明,自然对流对单个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。对铸锭CET过程的计算表明,自然对流促进温度均匀化,在凝固过程中等温线弯曲程度先增大后减小。另外,自然对流加速了凝固进程,并有细化晶粒的作用。CA-LBM模型再现了自然对流条件下柱状晶的竞争生长、柱状晶向等轴晶的转变以及溶质的晶界偏析。     

对流作用下枝晶形貌演化的数值模拟和实验研究

合金凝固过程中存在于枝晶尖端液相区的强制对流和自然对流均能改变溶质扩散层厚度,从而会对枝晶形貌产生较大影响.在元胞自动机模型基础上,耦合液体流动方程、热传导方程和溶质对流扩散方程,建立了新的计算微观组织演化的数值模型,并利用该模型研究了强制对流和自然对流对枝晶生长的影响.三维数值模拟结果再现了强制对流作用下等轴枝晶的生长过程,揭示了强制对流对枝晶生长速率和尖端半径的影响特点.同时利用该模型模拟了NH₄Cl-H₂O溶液定向凝固过程中自然对流对柱状晶生长的影响,并采用相应的实验进行验证.模拟结果与实验结果符合良好,从而证明该模型是可靠的,可推广到实际合金系中. 关键词： 元胞自动机 对流 4Cl-H₂O溶液')" href="#">NH₄Cl-H₂O溶液 定向凝固     

等温凝固多晶粒生长相场法模拟

采用Kim模型，利用耦合溶质场的相场模型对Al-2-mole-Cu合金等温凝固过程中多晶粒相互影响下枝晶的生长过程进行数值模拟，为了提高计算效率，采用差分去实现宏微观场之间的耦合.研究了不同过冷度对多晶粒枝晶形貌和溶质分布的影响，结果表明：成分过冷对枝晶生长速度和溶质分配有着重大的影响，溶质元素Cu在固液界面前沿重新分布，结果导致实际热过冷减小，进而影响枝晶的生长和溶质向外层的扩散，致使相互接触的枝晶产生萎缩而其余没有受到抑制的枝晶生长方向产生择优现象. 关键词： 相场法 模拟 择优生长 等温凝固 二元合金     

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     

基于体积平均法模拟铸锭凝固过程的可靠性分析

采用欧拉方法和体积平均思想,建立了以液相为主相、等轴晶和柱状晶视为两类不同第二相的三相模型,耦合凝固过程质量、动量、能量、溶质的守恒方程和晶粒的传输方程.以Al-4.7 wt.%Cu二元合金铸锭为例,模拟了合金铸锭二维的流场、温度场、溶质场、柱状晶向等轴晶转变过程以及等轴晶的沉积过程,并将模拟的铸锭组织和偏析结果与实验所得结果对比.温度场、流场和组织的模拟结果与理论基本一致,但由于模型没有考虑收缩以及浇注时的强迫对流,导致铸锭外层的偏析模拟值比实测值低,内层的模拟值比实测值高.所以收缩和逆偏析在模拟中是不可忽略的,这也是本文模型的改进方向.另外在所得模拟结果的基础上分析了体积平均法计算铸锭凝固过程的优点和不足之处.     

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     

Ti-45at.% Al合金定向凝固过程中显微组织演化的计算机模拟

采用基于溶质扩散控制模型CA方法对Ti-45at.% Al合金定向凝固过程中显微组织演化过程进行了数值模拟.模拟结果表明,在温度梯度较高时,初生晶核间距无论大小,均可通过分枝或竞争生长而使一次胞晶/枝晶间距得到调整.在抽拉速度一定情况下,随着温度梯度增加,胞晶/枝晶间距减小,在温度梯度一定情况下,随着抽拉速度增大,观察到胞晶/枝晶混合结构,混合结构区随温度梯增大而增大,模拟结果与实验观察相符合. 关键词： Ti-45at.% Al合金 定向凝固 组织演化 数值模拟     

基于元胞自动机方法的定向凝固枝晶竞争生长数值模拟

通过耦合温度场模型、溶质扩散方程以及枝晶生长动力学方程等重要因素,建立了一种改进的元胞自动机模型.该模型通过采用偏心算法消除网格各向异性,实现了二维尺度上任意角度枝晶生长的模拟,同时适用于模拟三维尺度上枝晶的生长过程.利用建立的模型开展了定向凝固枝晶竞争生长过程的数值模拟.为了体现本模型的有效性,模拟了透明合金的竞争生长过程,并与实验结果符合良好.镍基高温合金汇聚竞争和发散竞争的模拟结果清楚地展现了不同抽拉速度和枝晶优先生长角度下枝晶的竞争生长过程,并且模拟结果与理论模型相符合.三维枝晶生长的模拟结果表明本模型可以用来模拟三维枝晶一次臂间距的调整过程.     

元胞自动机方法模拟枝晶生长

为了能够准确反映具有明显界面的枝晶生长过程，利用元胞自动机方法模拟了凝固过程中固液两相具有不同热物理性质的枝晶生长.在模拟过程中发现，凝固过程中溶质易于富集在枝晶臂之间，同时随着凝固时间的延长，界面前沿的溶质浓度梯度和温度梯度逐渐下降.利用模拟所得的枝晶尖端半径与理论计算的相比较，发现随着枝晶尖端速度的增加，枝晶尖端半径逐渐下降，模拟与理论结果符合较好，偏差小于1μm. 关键词： 枝晶生长 凝固 偏析 模拟     

Microstructure evolution of laser solid forming of Ti-Al-V ternary system alloys from blended elemental powders

Morphology evolution of prior β grains of laser solid forming (LSF) Ti-xAl-yV (x 11,y 20) alloys from blended elemental powders is investigated. The formation mechanism of grain morphology is revealed by incorporating columnar to equiaxed transition (CET) mechanism during solidification. The morphology of prior β grains of LSF Ti-6Al-yV changes from columnar to equiaxed grains with increasing element V content from 4 to 20 wt.-%. This agrees well with CET theoretical prediction. Likewise, the grain morphology of LSF Ti-xAl-2V from blended elemental powders changes from large columnar to small equiaxed with increasing Al content from 2 to 11 wt.-%. The macro-morphologies of LSF Ti-8Al-2V and Ti-11Al-2V from blended elemental powders do not agree with CET predictions. This is caused by the increased disturbance effects of mixing enthalpy with increasing Al content, generated in the alloying process of Ti, Al, and V in the molten pool.     

激光沉积修复TA15合金的组织和力学性能

采用激光沉积修复方法对TA15槽损伤试样进行了修复试验,考察了修复试样的组织和力学特点,发现激光修复试样组织是由基材的双态组织经由热影响区过渡到修复区的网篮组织。修复区组织为粗大的原始柱状β晶,晶粒内为α/β网篮组织,晶内α片层取向随机,宽0.4～0.5μm。分析了修复区和坡面存在熔合不良缺陷的原因,并给出了纠正措施。修复试样的室温静拉伸结果表明,试样的抗拉强度接近工业锻件水平,表明修复区与基材之间形成了致密冶金结合,但由于修复区粗大柱状晶组织,试样的冲击韧性比基材稍差。     

深过冷三元Ni-Cu-Co合金的快速枝晶生长

研究了深过冷条件下三元Ni₈₀Cu₁₀Co₁₀合金的快速枝晶生长, 采用电磁悬浮无容器处理方法获得了335 K(0.2T_L)的最大过冷度. X射线衍射分析与差示扫描量热分析均表明,凝固组织为α-Ni单相固溶体. 随过冷度增大, 凝固组织显著细化, 并且当过冷度达110 K时，凝固组织的形态由粗大形枝晶转变为等轴晶. 深过冷条件下溶质截留效应增强, 使得微观偏析程度减小. 对不同过冷度下合金枝晶的生长速度进 关键词： 深过冷 枝晶生长 快速凝固 溶质截留     

The Harrison diffusion kinetics regimes in solute grain boundary diffusion

Knowledge of the limits of the principal Harrison kinetics regimes (Types A, B and C) for grain boundary diffusion is very important for the correct analysis of depth profiles in a tracer diffusion experiment. These regimes for self‐diffusion have been extensively studied in the past by making use of the phenomenological lattice Monte Carlo (LMC) method with the result that the limits are now well established. However, the relationship of these self‐diffusion limits to the corresponding ones for solute diffusion in the presence of solute segregation to the grain boundaries remains unclear. In the present study, the influence of solute segregation on the limits was investigated with the LMC method for the well‐known parallel grain boundary slab model by showing the equivalence of two diffusion models. It is shown which diffusion parameters are useful for identifying the limits of the Harrison kinetics regimes for solute grain boundary diffusion. It is also shown how the measured segregation factor from the diffusion experiment in the Harrison Type‐B kinetics regime may differ from the global segregation factor.     

Diffusion-stress coupling in liquid phase during rapid solidification of binary mixtures

An analytical model has been developed to describe the diffusion-viscous stress coupling in the liquid phase during rapid solidification of binary mixtures. The model starts with a set of evolution equations for diffusion flux and viscous pressure tensor, based on extended irreversible thermodynamics. It has been demonstrated that the diffusion-stress coupling leads to non-Fickian diffusion effects in the liquid phase. With only diffusive dynamics, the model results in the nonlocal diffusion equations of parabolic type, which imply the transition to complete solute trapping only asymptotically at an infinite interface velocity. With the wavelike dynamics, the model leads to the nonlocal diffusion equations of hyperbolic type and describes the transition to complete solute trapping and diffusionless solidification at a finite interface velocity in accordance with experimental data and molecular dynamic simulation.     

Non-equilibrium effects in spinodal decomposition of a binary system

A model for diffusion and phase separation which takes into account relaxation of the solute diffusion flux is developed. It is shown that the model predicts non-linearity in the amplification rate of decomposition, which is governed by the ratio between diffusion and correlation lengths. The predicted amplification rate is tested against experimental data on a binary phase-separated glass.     

Computer simulation of the phenomenological transport coefficient in the lattice gas and Fick's First Law

A direct steady state computer simulation method for calculating the Onsager phenomenological transport coefficient from the gradient of the chemical potential in the one component lattice gas is presented. It is shown that the results are in good agreement with the Einsteinian method. A recent alternative formulation for Fick's First Law that had been proposed to replace the standard Fick's First Law formulation is also analysed using the same model. It is shown that the alternative formulation gives poor agreement with the simulation data whereas the standard Fick's First Law gives excellent agreement. Accordingly, the alternative formulation does not appear to have merit as a new definition of the diffusion coefficient. It is shown that the alternative formulation is a rough approximation for the dependence of the interstitial solute diffusion coefficient on solute concentration in an interstitial solid solution if information about the activity coefficient and solute diffusion coefficient at very dilute concentrations is available. However, in this role, this is not an entirely new idea.     

The effect of substitutional impurity atoms on the diffusivity of an interstitial species

A model has been developed to treat the problem of the effect of substitutional solute elements on the diffusion of an interstitial species. The calculation applies only to cases where the substitutional solute creates “antitrapping” sites, whose energies are higher than the “normal” interstitial sites in the defect-free solvent lattice.The model predicts that, for sufficiently “high” antitrapping sites, there will be substantially no effect of composition or even solute atom type on the mobility of the interstitial species even up to about 20 atm% of substitutional solute.It is also possible for a given substitutional solute to act both as an accelerator or retarder with respect to the diffusivity of the interstitial species, depending upon temperature.     

基于改进元胞自动机模型的三元合金枝晶生长的数值模拟

在二元合金元胞自动机模型的基础上,通过耦合多元合金热力学相平衡求解器PanEngine, 建立了三元合金改进的元胞自动机模型,可模拟初生相枝晶的生长过程. 模型考虑了曲率过冷和成分过冷对界面平衡溶质成分的影响,通过不同组元的无量纲溶质过饱和度方程和界面溶质守恒方程之间的耦合来求解界面生长速率,并通过PanEngine计算界面处的液相线温度. 采用本模型模拟了Al-7%Si-xMg三元合金自由枝晶的生长形态, 结果表明Mg含量的增加会抑制枝晶一次臂的生长和二次臂的产生.同时模拟了不同抽拉速度下 Al-7%Si-0.5%Mg合金柱状枝晶的竞争生长过程,随着抽拉速度的增大,柱状枝晶一次枝晶臂间距逐渐减小, 与Hunt理论模型符合较好.