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Variational formulation of a quantitative phase-field model for nonisothermal solidification in a multicomponent alloy

机译:多组分合金中非等温凝固的定量相场模型的变式表达

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摘要

A variational formulation of a quantitative phase-field model is presented for nonisothermal solidification in a multicomponent alloy with two-sided asymmetric diffusion. The essential ingredient of this formulation is that the diffusion fluxes for conserved variables in both the liquid and solid are separately derived from functional derivatives of the total entropy and then these fluxes are related to each other on the basis of the local equilibrium conditions. In the present formulation, the cross-coupling terms between the phase-field and conserved variables naturally arise in the phase-field equation and diffusion equations, one of which corresponds to the antitrapping current, the phenomenological correction term in early nonvariational models. In addition, this formulation results in diffusivities of tensor form inside the interface. Asymptotic analysis demonstrates that this model can exactly reproduce the free-boundary problem in the thin-interface limit. The present model is widely applicable because approximations and simplifications are not formally introduced into the bulk's free energy densities and because off-diagonal elements of the diffusivity matrix are explicitly taken into account. Furthermore, we propose a nonvariational form of the present model to achieve high numerical performance. A numerical test of the nonvariational model is carried out for nonisothermal solidification in a binary alloy. It shows fast convergence of the results with decreasing interface thickness.
机译:提出了定量相场模型的变式,用于非等温凝固的多组分合金的两侧不对称扩散。该配方的基本组成部分是,液体和固体中守恒变量的扩散通量分别来自总熵的函数导数,然后根据局部平衡条件使这些通量相互关联。在本公式中,在相场方程和扩散方程中自然会出现相场和守恒变量之间的交叉耦合项,其中之一对应于反陷获电流,这是早期非变量模型中的现象学校正项。另外,这种配方导致界面内张量形式的扩散。渐近分析表明,该模型可以精确地重现瘦界面极限中的自由边界问题。由于没有将近似和简化形式正式引入主体的自由能密度中,并且因为明确考虑了扩散矩阵的非对角元素,所以本模型可广泛应用。此外,我们提出了本模型的非变形式来实现较高的数值性能。对二元合金中的非等温凝固进行了非变量模型的数值测试。它显示了随着界面厚度减小,结果快速收敛的结果。

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