Introducing long-range particle interactions into phase-field models of sintering using continuum mechanics principles

IF 3.1 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY
Vladimir Ivannikov , Peter Munch , Thomas Ebel , Regine Willumeit–Römer , Christian J. Cyron
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Abstract

This work presents a novel meso-scale phase-field model of solid-state sintering that couples the continuum thermodynamics and continuum mechanics governing the sintering process. The microstructure evolution is described by a system of equations consisting of one Cahn–Hilliard equation and a set of Allen–Cahn equations to distinguish neighboring particles. These equations are coupled with the balance of momentum of linear elasticity. The latter is defined by applying the Wang sintering forces as distributed body loads to compute advection velocities for the phase-field equations. This introduces long-range interaction mechanisms between particles. Our numerical implementation uses monolithic coupling and implicit time integration. It is based on the hpsint code, an efficient matrix-free finite element solver for phase-field simulations of many-particle sintering processes with advanced grain tracking capabilities and block preconditioning. With a simple academic test setup that analyzes a chain of identical particles we investigate in detail the problems of the original sintering model proposed by Wang around two decades ago and then clearly demonstrate how our new coupled approach resolves them. We then study a series of two- and three-dimensional benchmark problems to demonstrate the advantages of our novel model that clearly exhibits invariance of shrinkage regarding the model size (number of particles in the packing) and renders microstructures whose metrics agree well with estimates based on analytical and experimental studies.

Abstract Image

用连续介质力学原理将长程粒子相互作用引入烧结相场模型
本文提出了一种新的固体烧结的中观相场模型,该模型结合了连续统热力学和连续统力学来控制烧结过程。微观结构演化由一个Cahn-Hilliard方程和一组Allen-Cahn方程组成的方程组来描述,以区分相邻的粒子。这些方程与线弹性动量平衡耦合。后者是通过应用Wang烧结力作为分布体载荷来计算相场方程的平流速度来定义的。这介绍了粒子间的远距离相互作用机制。我们的数值实现使用单片耦合和隐式时间积分。它基于hpsint代码,hpsint代码是一种高效的无矩阵有限元求解器,用于多颗粒烧结过程的相场模拟,具有先进的颗粒跟踪能力和块预处理功能。通过一个简单的学术测试装置来分析一串相同的颗粒,我们详细研究了王在大约20年前提出的原始烧结模型的问题,然后清楚地展示了我们的新耦合方法如何解决这些问题。然后,我们研究了一系列二维和三维基准问题,以证明我们的新模型的优势,该模型清楚地显示出关于模型尺寸(填料中的颗粒数量)的收缩不变性,并呈现微观结构,其度量与基于分析和实验研究的估计非常一致。
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来源期刊
Computational Materials Science
Computational Materials Science 工程技术-材料科学:综合
CiteScore
6.50
自引率
6.10%
发文量
665
审稿时长
26 days
期刊介绍: The goal of Computational Materials Science is to report on results that provide new or unique insights into, or significantly expand our understanding of, the properties of materials or phenomena associated with their design, synthesis, processing, characterization, and utilization. To be relevant to the journal, the results should be applied or applicable to specific material systems that are discussed within the submission.
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