等距配位法模拟相场晶体模型

IF 4 3区 工程技术 Q1 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS International Journal of Numerical Methods for Heat & Fluid Flow Pub Date : 2024-07-25 DOI:10.1108/hff-01-2024-0020
Reza Masoumzadeh, Mostafa Abbaszadeh, Mehdi Dehghan
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引用次数: 0

摘要

设计/方法/途径首先,通过二阶线性化有限差分方案对时间方向的导数进行离散化,在此方案中,数学模型的能量稳定性得到了保证。然后,使用等距定位(IGC)方法逼近空间方向的导数。IGC 程序可用于不规则物理域。IGC 方法基于非均匀有理 B-样条曲线(NURBS)。每条曲线和每个曲面都可以用 NURBS 逼近。此外,还将定义一个映射,将物理域投影到一个简单的计算域。在此过程中,部分导数将通过 Jacobian 和 Hessian 矩阵转换到新域。根据上述程序,将建立一阶和二阶微分矩阵。此外,还使用伪谱算法推导一阶和二阶节点微分矩阵。结果在数值实验中,通过两个实例评估了所提方法的效率和准确性,证明了其在矩形域和非矩形域上的性能。
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Isogeometric collocation method to simulate phase-field crystal model

Purpose

The purpose of this study is to develop a new numerical algorithm to simulate the phase-field model.

Design/methodology/approach

First, the derivative of the temporal direction is discretized by a second-order linearized finite difference scheme where it conserves the energy stability of the mathematical model. Then, the isogeometric collocation (IGC) method is used to approximate the derivative of spacial direction. The IGC procedure can be applied on irregular physical domains. The IGC method is constructed based upon the nonuniform rational B-splines (NURBS). Each curve and surface can be approximated by the NURBS. Also, a map will be defined to project the physical domain to a simple computational domain. In this procedure, the partial derivatives will be transformed to the new domain by the Jacobian and Hessian matrices. According to the mentioned procedure, the first- and second-order differential matrices are built. Furthermore, the pseudo-spectral algorithm is used to derive the first- and second-order nodal differential matrices. In the end, the Greville Abscissae points are used to the collocation method.

Findings

In the numerical experiments, the efficiency and accuracy of the proposed method are assessed through two examples, demonstrating its performance on both rectangular and nonrectangular domains.

Originality/value

This research work introduces the IGC method as a simulation technique for the phase-field crystal model.

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来源期刊
CiteScore
9.50
自引率
11.90%
发文量
100
审稿时长
6-12 weeks
期刊介绍: The main objective of this international journal is to provide applied mathematicians, engineers and scientists engaged in computer-aided design and research in computational heat transfer and fluid dynamics, whether in academic institutions of industry, with timely and accessible information on the development, refinement and application of computer-based numerical techniques for solving problems in heat and fluid flow. - See more at: http://emeraldgrouppublishing.com/products/journals/journals.htm?id=hff#sthash.Kf80GRt8.dpuf
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