Crystal growth of pure substances: Phase-field simulations in comparison with analytical and experimental results
Crystal growth of pure substances: Phase-field simulations in comparison with analytical and experimental results
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DOI：
10.1016/j.jcp.2005.01.018
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发表时间：
2005-07
影响因子：
4.1
通讯作者：
B. Nestler;D. Danilov;P. Galenko
中科院分区：
文献类型：
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作者：
B. Nestler;D. Danilov;P. Galenko
与经典不可逆热力学的形式一致的多组分系统中非等温凝固的相场模型[SIAM J.Appl.Math.64（3）（2004）775-799]用于纯材料中晶体生长的数值模拟。讨论了这种方法与Bragard等人[Interface Science 10（2-3）（2002）121-136]的相场模型的关系。将枝晶结构的2D和3D模拟与Brener理论的分析预测[Journal of Crystal Growth 99（1990）165-170]和最近纯镍中凝固的实验测量[Proceedings of the TMS Annual Meeting，March 14-18，2004，pp. 277-288;欧洲物理杂志B，提交出版]。三维形态转变的表面能和动力学各向异性的变化，在不同的过冷度。在计算中，我们调查的收敛行为的标准相场模型和它的薄界面扩展在不同的过冷度和扩散界面厚度和原子毛细管长度之间的不同比率。网格各向异性的影响进行了准确的分析，有限差分法和自适应有限元法的比较。
A phase-field model for non-isothermal solidification in multicomponent systems [SIAM J. Appl. Math. 64 (3) (2004) 775–799] consistent with the formalism of classic irreversible thermodynamics is used for numerical simulations of crystal growth in a pure material. The relation of this approach to the phase-field model by Bragard et al. [Interface Science 10 (2–3) (2002) 121–136] is discussed. 2D and 3D simulations of dendritic structures are compared with the analytical predictions of the Brener theory [Journal of Crystal Growth 99 (1990) 165–170] and with recent experimental measurements of solidification in pure nickel [Proceedings of the TMS Annual Meeting, March 14–18, 2004, pp. 277–288; European Physical Journal B, submitted for publication]. 3D morphology transitions are obtained for variations in surface energy and kinetic anisotropies at different undercoolings. In computations, we investigate the convergence behaviour of a standard phase-field model and of its thin interface extension at different undercoolings and at different ratios between the diffuse interface thickness and the atomistic capillary length. The influence of the grid anisotropy is accurately analyzed for a finite difference method and for an adaptive finite element method in comparison.