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Related papers: An orientation-field model for polycristalline sol…

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A phase field theory of polycrystalline solidification is presented that is able to describe the nucleation and growth of anisotropic particles with different crystallographic orientation in three dimensions. As opposed with the…

Materials Science · Physics 2009-11-11 T. Pusztai , G. Bortel , L. Granasy

We present a phase field model of solidification which includes the effects of the crystalline orientation in the solid phase. This model describes grain boundaries as well as solid-liquid boundaries within a unified framework. With an…

Materials Science · Physics 2009-11-07 Alexander E. Lobkovsky , James A. Warren

Three different topics in phase-field modelling of solidification are discussed, with particular emphasis on the limitations of the currently available modelling approaches. First, thin-interface limits of two-sided phase-field models are…

Materials Science · Physics 2015-05-18 Mathis Plapp

Directional solidification of water-based solutions has emerged as a versatile technique for templating hierarchical porous materials. However, the underlying mechanisms of pattern formation remain incompletely understood. In this work, we…

Materials Science · Physics 2026-03-20 Kaihua Ji , Alain Karma

Advanced phase-field techniques have been applied to address various aspects of polycrystalline solidification including different modes of crystal nucleation. The height of the nucleation barrier has been determined by solving the…

We present a phase-field model for simulating the solid-state dewetting of anisotropic crystalline films on non-planar substrates. This model exploits two order parameters to trace implicitly the crystal free surface and the substrate…

Mesoscale and Nanoscale Physics · Physics 2025-05-01 Emma Radice , Marco Salvalaglio , Roberto Bergamaschini

Rapid solidification experiments on thin film aluminum samples reveal the presence of lattice orientation gradients within crystallizing grains. To study this phenomenon, a single-component phase-field crystal (PFC) model that captures the…

A vector order parameter phase field model derived from a grand potential functional is presented as a new approach for modeling polycrystalline solidification of alloys. In this approach, the grand potential density is designed to contain…

Materials Science · Physics 2021-06-02 Tatu Pinomaa , Nana Ofori-Opoku , Anssi Laukkanen , Nikolas Provatas

We propose to incorporate grain boundary (GB) anisotropy in phase-field modeling by extending the standard partial differential equations formulation to include a nonlocal functional of an orientation field. Regardless of the number of…

Materials Science · Physics 2026-02-09 Xiao Han , Axel van de Walle

In this letter we describe a method of extending an existing phase field model of polycrystalline solidification from two to three dimensions (3D).

Materials Science · Physics 2007-05-23 Ryo Kobayashi , James A. Warren

Based on static and dynamical density functional theory, a phase-field-crystal model is derived which involves both the translational density and the orientational degree of ordering as well as a local director field. The model exhibits…

Soft Condensed Matter · Physics 2015-05-19 Hartmut Löwen

We present a phase-field crystal (PFC) model for solidification that accounts for thermal transport and a temperature-dependent lattice parameter. Elasticity effects are characterized through the continuous elastic field computed from the…

Materials Science · Physics 2023-01-26 Maik Punke , Steven M. Wise , Axel Voigt , Marco Salvalaglio

A thermodynamically consistent phase-field model is developed to study the non-isothermal grain coalescence during the sintering process, with a potential application to the simulation in unconventional sintering techniques, e.g. spark…

Materials Science · Physics 2018-06-08 Yangyiwei Yang , Min Yi , Bai-Xiang Xu , Long-Qing Chen

In this paper we describe a new model for solidification with heat flux using the phase field crystal (PFC) framework. The equations are thermodynamically consistent, in the sense that the time rate of change of the entropy density is…

Materials Science · Physics 2021-07-13 C. Wang , S. M. Wise

The quantitative phase-field approach has been adapted to model solidification in the presence of Metal Matrix Nanocomposites (MMNCs) in a single-component liquid. Nanoparticles of fixed size and shape are represented by additional fields.…

Materials Science · Physics 2014-06-11 Tamás Pusztai , László Rátkai , Attila Szállás , László Gránásy

We review our recent modeling of crystal nucleation and polycrystalline growth using a phase field theory. First, we consider the applicability of phase field theory for describing crystal nucleation in a model hard sphere fluid. It is…

Soft Condensed Matter · Physics 2007-05-23 L. Granasy , T. Pusztai , T. Borzsonyi

Polycrystalline thin films can be unstable with respect to island formation (agglomeration) through grooving where grain boundaries intersect the free surface and/or thin film-substrate interface. We develop a phase-field model to study the…

Materials Science · Physics 2007-05-23 Mathieu Bouville , Shenyang Hu , Long-Qing Chen , Dongzhi Chi , David J Srolovitz

We investigate the formation of polycrystalline structures in a class of particle systems. The atomistic energy is modeled as a sum of particle energies that favor atoms being locally isometric to a reference lattice. The discrete frame…

Mesoscale and Nanoscale Physics · Physics 2026-04-22 Leonard Kreutz , Timo Ziereis

We propose a framework to model elastic properties of polycrystals by coupling crystal orientational degrees of freedom with elastic strains. Our model encodes crystal symmetries and takes into account explicitly the strain compatibility…

Materials Science · Physics 2009-11-07 Rajeev Ahluwalia , Turab Lookman , Avadh Saxena

The phase-field model for the description of the solidification processes with the glass-crystal competition is suggested. The model combines the first-order phase transition model in the phase-field formalism and gauge-field theory of…

Materials Science · Physics 2024-08-07 M. G. Vasin , V. Ankudinov
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