Orientation-field models for polycrystalline solidification: Grain coarsening and complex growth forms

Korbuly, Bálint; Pusztai, Tamás; Tóth, Gyula I.; Henry, Hervé; Plapp, Mathis; Gránásy, László

doi:10.1016/j.jcrysgro.2016.06.040

Cited by 19 publications

(19 citation statements)

References 24 publications

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“…We have evaluated both distributions the same way as described in Ref. [34,35]. Figure 16 shows that the GBCDs of the new models are very similar, but differ clearly from the GBDC of the HMP model.…”

Section: Comparison Of Gbdcs and Lgsdsmentioning

confidence: 99%

Topological defects in two-dimensional orientation-field models for grain growth

et al. 2017

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Standard two-dimensional orientation-field-based phase-field models rely on a continuous scalar field to represent crystallographic orientation. The corresponding order parameter space is the unit circle, which is not simply connected. This topological property has important consequences for the resulting multigrain structures: (i) trijunctions may be singular; (ii) for each pair of grains there exist two different grain boundary solutions that cannot continuously transform to one another; (iii) if both solutions appear along a grain boundary, a topologically stable, singular point defect must exist between them. While (i) can be interpreted in the classical picture of grain boundaries, (ii) and therefore (iii) cannot. In addition, singularities cause difficulties, such as lattice pinning in numerical simulations. To overcome these problems, we propose two formulations of the model. The first is based on a three-component unit vector field, while in the second we utilize a two-component vector field with an additional potential. In both cases, the additional degree of freedom introduced makes the order parameter space simply connected, which removes the topological stability of these defects.

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Section: Comparison Of Gbdcs and Lgsdsmentioning

confidence: 99%

Topological defects in two-dimensional orientation-field models for grain growth

et al. 2017

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“…LGSDs for the OF models were reported in Ref. [27]. Another approach that led to similar results employed a numerical surface solver to relax the interface energy [28].…”

Section: Introductionmentioning

confidence: 88%

Grain coarsening in two-dimensional phase-field models with an orientation field

et al. 2017

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In the literature, contradictory results have been published regarding the form of the limiting (long-time) grain size distribution (LGSD) that characterizes the late stage grain coarsening in two-dimensional and quasi-two-dimensional polycrystalline systems. While experiments and the phase-field crystal (PFC) model (a simple dynamical density functional theory) indicate a log-normal distribution, other works including theoretical studies based on conventional phase-field simulations that rely on coarse grained fields, like the multi-phase-field (MPF) and orientation field (OF) models, yield significantly different distributions. In a recent work, we have shown that the coarse grained phase-field models (whether MPF or OF) yield very similar limiting size distributions that seem to differ from the theoretical predictions. Herein, we revisit this problem, and demonstrate in the case of OF models [R. Kobayashi, J. A. Warren, and W. C. Carter, Physica D 140, 141 (2000)PDNPDT0167-278910.1016/S0167-2789(00)00023-3; H. Henry, J. Mellenthin, and M. Plapp, Phys. Rev. B 86, 054117 (2012)PRBMDO1098-012110.1103/PhysRevB.86.054117] that an insufficient resolution of the small angle grain boundaries leads to a log-normal distribution close to those seen in the experiments and the molecular scale PFC simulations. Our paper indicates, furthermore, that the LGSD is critically sensitive to the details of the evaluation process, and raises the possibility that the differences among the LGSD results from different sources may originate from differences in the detection of small angle grain boundaries.

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“…Such a description can be done on the basis of orientation / vector field based phase-field descriptions, 30 or alternatively, multidomain-field models.…”

Section: Theorymentioning

confidence: 99%

Phenomenological Continuum Theory of Asphaltene-Stabilized Oil/Water Emulsions

2017

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In this paper we use a phenomenological continuum theory of the Ginzburg-Landau type to address emulsion formation in water/light hydrocarbon/asphaltene systems.Based on the results of recent molecular dynamics simulations, we first calibrate the model parameters and show, that the theory produces a reasonable equation of state.Next, the coalescence of oil droplets is studied by a convection-diffusion dynamics as a function of both the surface coverage and the viscosity contrast between the asphaltene and the bulk liquids. We show, that, besides the traditional thermodynamic interpretation of emulsion formation, the timescale of drop coalescence can be controlled independently from the interfacial tension drop, which offers an alternative, solely kinetic driven mechanism of emulsion formation.

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Orientation-field models for polycrystalline solidification: Grain coarsening and complex growth forms

Cited by 19 publications

References 24 publications

Topological defects in two-dimensional orientation-field models for grain growth

Topological defects in two-dimensional orientation-field models for grain growth

Grain coarsening in two-dimensional phase-field models with an orientation field

Phenomenological Continuum Theory of Asphaltene-Stabilized Oil/Water Emulsions

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