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Given the wide range of length scales, the analysis of polymer systems often requires coarse-graining, for which various levels of description may be possible depending on the phenomenon under consideration. Here, we provide a super-coarse…

Soft Condensed Matter · Physics 2024-09-05 Naoki Iso , Yuki Norizoe , Takahiro Sakaue

Two-dimensional simulations are used to explore topological transitions that occur during the formation of films grown from grains that are seeded on substrates. This is done for a relatively large range of the initial value $\Phi_s$ of the…

Materials Science · Physics 2022-01-21 Stoffel D. Janssens , David Vázquez-Cortés , Eliot Fried

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

This work deals with numerical simulation of water freezing and thawing in a complex three-dimensional geometry of a porous medium. The porous structure is represented by a virtual container filled with glass beads. Phase transition…

Computational Physics · Physics 2024-07-23 Pavel Strachota

We investigate the phase behavior of symmetric AB diblock copolymers confined into a thin film. The film boundaries are parallel, impenetrable and attract the A component of the diblock copolymer. Using a self-consistent field technique…

Statistical Mechanics · Physics 2009-10-31 Thorsten Geisinger , Marcus Mueller , Kurt Binder

We extend the phase-field approach to model the solidification of faceted materials. Our approach consists of using an approximate gamma-plot with rounded cusps that can approach arbitrarily closely the true gamma-plot with sharp cusps that…

Materials Science · Physics 2009-11-10 Jean-Marc Debierre , Alain Karma , Franck Celestini , Rahma Guerin

We investigate the multi-order parameter phase field model of Steinbach and Pezzolla [I. Steinbach, F. Pezzolla, A generalized field method for multiphase transformations using interface fields, Physica D 134 (1999) 385-393] concerning its…

Materials Science · Physics 2015-06-19 V. Sai Pavan Kumar Bhogireddy , C. Hüter , J. Neugebauer , I. Steinbach , A. Karma , R. Spatschek

In this paper, phase field models are developed for multi-component vesicle membranes with different lipid compositions and membranes with free boundary. These models are used to simulate the deformation of membranes under the elastic…

Biological Physics · Physics 2007-05-23 Xiaoqiang Wang , Qiang Du

In order to address the growth of crystals in veins, a multiphase-field model is used to capture the dynamics of crystals precipitating from a super-saturated solution. To gain a detailed understanding of the polycrystal growth phenomena in…

Geophysics · Physics 2013-10-21 Kumar Ankit , Britta Nestler , Michael Selzer , Mathias Reichardt

We develop and analyse the first second-order phase-field model to combine melting and dissolution in multi-component flows. This provides a simple and accurate way to simulate challenging phase-change problems in existing codes.…

Computational Physics · Physics 2020-12-09 Eric W. Hester , Louis-Alexandre Couston , Benjamin Favier , Keaton J. Burns , Geoffrey M. Vasil

In this paper, we develop a mean-field model for simulating the microstructure evolution of crystalline materials during static recrystallization. The model considers a population of individual cells (i.e. grains and subgrains) growing in a…

Materials Science · Physics 2020-05-18 Arthur Després , Michael Greenwood , Chad Sinclair

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

The Rayleigh--Taylor instability of two immiscible fluids in the limit of small Atwood numbers is studied by means of a phase-field description. In this method the sharp fluid interface is replaced by a thin, yet finite, transition layer…

Fluid Dynamics · Physics 2009-11-13 Antonio Celani , Andrea Mazzino , Paolo Muratore-Ginanneschi , Lara Vozella

Phase field crystals (PFC) are a tool for simulating materials at the atomic level. They combine the small length-scale resolution of molecular dynamics (MD) with the ability to simulate dynamics on mesoscopic time scales. We show how PFC…

Materials Science · Physics 2015-05-13 P. F. Tupper , Martin Grant

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…

In this study, an alloy phase-field model is used to simulate solidification microstructures at different locations within a solidified molten pool. The temperature gradient $G$ and the solidification velocity $V$ are obtained from a…

Materials Science · Physics 2017-06-12 Supriyo Ghosh , Li Ma , Nana Ofori-Opoku , Jonathan E. Guyer

The complex arrangements of atoms near grain boundaries are difficult to understand theoretically. We propose a phenomenological (Ginzburg-Landau-like) description of crystalline phases based on symmetries and fairly general stability…

Materials Science · Physics 2015-06-25 Denis Boyer , David Romeu

We apply the phase field crystal model to study the structure and energy of symmetric tilt grain boundaries of bcc iron in 3D. The parameters for the model are obtained by using a recently developed eight-order fitting scheme [A. Jaatinen…

Materials Science · Physics 2010-06-29 A. Jaatinen , C. V. Achim , K. R. Elder , T. Ala-Nissila

Knowledge about grain boundary migration is a prerequisite for understanding and ultimately modulating the properties of polycrystalline materials. Evidence from experiments and molecular dynamics (MD) simulations suggests that the…

Materials Science · Physics 2021-12-08 Mahi Gokuli , Brandon Runnels

This paper presents an extension of the discrete element method using a phase-field formulation to incorporate grain shape and its evolution. The introduction of a phase variable enables an effective representation of grain geometry and…

Materials Science · Physics 2024-04-09 Alexandre Sac-Morane , Manolis Veveakis , Hadrien Rattez
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