模拟二元合金树枝状生长的基于 FFT 的相场框架

IF 3.8 2区 物理与天体物理 Q2 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS
Arijit Sinhababu, Shyamprasad Karagadde
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引用次数: 0

摘要

本研究开发了基于傅立叶伪光谱的相场框架,使用固定网格模拟二元合金凝固。提出新模型以克服现有限制的动机有两个方面:首先,建立一个经过充分验证的高阶相场模型,该模型与 LKT 预测的各种欠冷和成分的尖端动力学密切相关;其次,使用网格大小超过一阶的固定笛卡尔网格实现精确模拟。在傅立叶伪谱法中,使用零填充和高阶傅立叶平滑指数滤波器对 PF 方程的非线性项进行去锯齿处理。尽管采用了固定的网格尺寸,甚至当网格尺寸与扩散界面厚度之比为 1.42 时,也能观察到二元合金凝固过程中的精确生长动力学。采用基于积分因子 (IF) 的混合强稳定三阶 Runge-Kutta 方法 (SSPRK3),提高了高 Lewis 数下的时间稳定性。在不同的过冷度下,通过四臂等轴枝晶的生长,获得了无量纲尖端速度与过冷度之间的新型比例关系。在不使用任何网格细化方案的情况下,还精确模拟了多个随机取向树枝状突起的生长。同样,在边界稀释浓度下,顶端速度与 LKT 预测值非常吻合。此外,还探讨了耦合参数和反捕获项对树突生长动力学的影响。总之,所提出的基于 FFT 的框架有望以更少的每波长点数(PPW)精确捕捉晶体的全局化学波特征,并有可能被放大用于大规模模拟。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A FFT-based phase-field framework for simulating dendritic growth in binary alloy
In the present study, a Fourier pseudo-spectral-based, phase-field framework is developed to simulate the binary alloy solidification using fixed grids. The motivation behind this proposition of a new model towards overcoming existing limitations is two-fold: firstly, to create a fully validated high-order phase-field model that closely aligns with LKT predictions of tip kinetics across various undercoolings and compositions, and secondly, to achieve accurate simulations using fixed Cartesian meshes with a grid size of order more than unity. In the Fourier pseudo-spectral method, the nonlinear terms of the PF equations are de-aliased using zero padding and high-order Fourier smoothing exponential filters. Accurate growth kinetics during binary alloy solidification are observed despite employing fixed mesh sizes, even when the ratio of grid size to diffuse interface thickness is 1.42. A hybrid, integrating factor (IF)-based, strongly stable third-order Runge-Kutta method (SSPRK3) is implemented to obtain improved temporal stability at high Lewis numbers. A novel scaling relationship between dimensionless tip velocity and undercooling is obtained from the growth of a four-arm equiaxed dendrite at different levels of undercooling. The growth of several randomly oriented dendrites is also accurately simulated without using any mesh refinement schemes. Likewise, the tip velocity closely matched the LKT predictions at dilute concentrations at the boundary. Furthermore, the effects of the coupling parameter and the anti-trapping term on dendritic growth kinetics are explored. Overall, the proposed FFT-based framework is expected to capture the crystals' global chemical wave features precisely with fewer points per wavelength (PPW) and has the potential to be scaled up for large-scale simulations.
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来源期刊
Journal of Computational Physics
Journal of Computational Physics 物理-计算机:跨学科应用
CiteScore
7.60
自引率
14.60%
发文量
763
审稿时长
5.8 months
期刊介绍: Journal of Computational Physics thoroughly treats the computational aspects of physical problems, presenting techniques for the numerical solution of mathematical equations arising in all areas of physics. The journal seeks to emphasize methods that cross disciplinary boundaries. The Journal of Computational Physics also publishes short notes of 4 pages or less (including figures, tables, and references but excluding title pages). Letters to the Editor commenting on articles already published in this Journal will also be considered. Neither notes nor letters should have an abstract.
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