Modelling polycrystalline solidification using phase field theory

Gránásy, László; Pusztai, Tamás; Warren, James A.

doi:10.1088/0953-8984/16/41/r01

Cited by 128 publications

(139 citation statements)

References 122 publications

(187 reference statements)

Supporting

Mentioning

138

Contrasting

Order By: Relevance

“…Recently, a rich array of phenomena has been modeled using a phase field theoretic approach that has a fairly simple form (see the appendices of [15]):…”

Section: Phase Field Theory For Wetting and Heterogeneous Nucleationmentioning

confidence: 99%

See 1 more Smart Citation

Phase field approach to heterogeneous crystal nucleation in alloys

et al. 2009

Self Cite

View full text Add to dashboard Cite

We extend the phase field model of heterogeneous crystal nucleation developed recently [L. Gránásy, T.Pusztai, D. Saylor, and J. A. Warren, Phys. Rev. Lett. 98, 035703 (2007)] to binary alloys. Three approaches are considered to incorporate foreign walls of tunable wetting properties into phase field simulations: a continuum realization of the classical spherical cap model (called Model A herein), a non-classical approach (Model B) that leads to ordering of the liquid at the wall, and to the appearance of a surface spinodal, and a non-classical model (Model C) that allows for the appearance of local states at the wall that are accessible in the bulk phases only via thermal fluctuations. We illustrate the potential of the presented phase field methods for describing complex polycrystalline solidification morphologies including the shish-kebab structure, columnar to equiaxed transition, and front-particle interaction in binary alloys. PACS number(s): 64.60. Qb, 64.70.Dv, 82.60.Nh

show abstract

“…Recently, a rich array of phenomena has been modeled using a phase field theoretic approach that has a fairly simple form (see the appendices of [15]):…”

Section: Phase Field Theory For Wetting and Heterogeneous Nucleationmentioning

confidence: 99%

“…Such nanoscale nuclei are essentially ''all interface''. Recent investigations show [12] that the phase field approach (PFT, for recent reviews see [14,15]) can describe such non-classical nuclei. Indeed, the PFT can quantitatively predict the nucleation barrier for systems (e.g., hard-sphere, Lennard-Jones, ice-water, etc.)…”

Section: Introductionmentioning

confidence: 99%

Phase field approach to heterogeneous crystal nucleation in alloys

et al. 2009

Self Cite

View full text Add to dashboard Cite

show abstract

“…The phasefield model has emerged as a powerful tool for describing the microstructural evolution processes. [18][19][20][21][22][23] This is a diffuse interface approach, in which the interface is not sharp but diffuse, exhibiting non-zero thickness. The main advantage of this model is that it is not necessary to explicitly track the position of a sharp interface in complex microstructural patterns.…”

Section: Advances In Quantitative Computation Of Solidification Micromentioning

confidence: 99%

“…The main advantage of this model is that it is not necessary to explicitly track the position of a sharp interface in complex microstructural patterns. The phase-field model has been applied to a variety of solidification processes, [18][19][20][21][22] and its capability of affording a qualitative understanding of phenomena has generally been acknowledged. Despite this success, however, a long-standing issue regarding the quantitative aspect of the phase-field model remained unresolved until recently.…”

Section: Advances In Quantitative Computation Of Solidification Micromentioning

confidence: 99%

“…In 1993, Kobayashi succeeded in reproducing a complicated dendrite structure using the phase-field model. 17 Since then, phase-field simulation [18][19][20][21][22][23] has become a major tool for the simulation of solidification. The main advantage of the phase-field model is that it is not necessary to explicitly track the position of a sharp interface in complex microstructural patterns.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Solidification in a Supercomputer: From Crystal Nuclei to Dendrite Assemblages

Shibuta

Ohno

Takaki

2015

JOM

View full text Add to dashboard Cite

Thanks to the recent progress in high-performance computational environments, the range of applications of computational metallurgy is expanding rapidly. In this paper, cutting-edge simulations of solidification from atomic to microstructural levels performed on a graphics processing unit (GPU) architecture are introduced with a brief introduction to advances in computational studies on solidification. In particular, million-atom molecular dynamics simulations captured the spontaneous evolution of anisotropy in a solid nucleus in an undercooled melt and homogeneous nucleation without any inducing factor, which is followed by grain growth. At the microstructural level, the quantitative phase-field model has been gaining importance as a powerful tool for predicting solidification microstructures. In this paper, the convergence behavior of simulation results obtained with this model is discussed, in detail. Such convergence ensures the reliability of results of phase-field simulations. Using the quantitative phase-field model, the competitive growth of dendrite assemblages during the directional solidification of a binary alloy bicrystal at the millimeter scale is examined by performing two-and threedimensional large-scale simulations by multi-GPU computation on the supercomputer, TSUBAME2.5. This cutting-edge approach using a GPU supercomputer is opening a new phase in computational metallurgy.

show abstract

Simulating Microstructural Evolution using the Phase Field Method

Wang

Chen

Zhou

2012

Characterization of Materials

View full text Add to dashboard Cite

The key to predict material properties is the state of microstructure. Because microstructural evolution is a typical nonlinear, nonlocal, and multiparticle dynamic problem, computer simulations play an ever increasingly important role in predicting key microstructural features and their time evolution during various processes such as phase transformations, domain coarsening, and plastic deformation. A plethora of computational methods and algorithms have been developed in recent years to complement theoretical and experimental studies to explore the high dimensional material‐ and processing‐parameter space, which would not only lower the cost but also increase the efficiency of optimizing existing materials and developing new ones. In this article, a brief account of the basic features of each method, including the conventional front‐tracking methods and techniques without front‐tracking (such as Continuum/Microscopic/Coarse‐Grained Phase Field Method; Mesoscopic/Atomistic Monte Carlo; Cellular Automata; Discrete Lattice Model; Phase Field Crystal Model; Diffusive Molecular Dynamics; Microscopic Master Equations; Inhomogeneous Path Probability Method; and Molecular Dynamics) will be presented first, followed by detailed descriptions of the fundamentals of various phase‐field methods at different length scales and their model formulations. The applications of the phase field methods will be demonstrated by examples of coherent precipitation, grain growth, ferroelectric domain structure formation, dislocation core structures, and dislocation‐precipitate interactions. Existing challenges and future trends of the phase‐field methods are discussed at the end of the article.

show abstract

Modelling polycrystalline solidification using phase field theory

Cited by 128 publications

References 122 publications

Phase field approach to heterogeneous crystal nucleation in alloys

Phase field approach to heterogeneous crystal nucleation in alloys

Solidification in a Supercomputer: From Crystal Nuclei to Dendrite Assemblages

Simulating Microstructural Evolution using the Phase Field Method

Contact Info

Product

Resources

About