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The study of polycrystalline materials requires theoretical and computational techniques enabling multiscale investigations. The amplitude expansion of the phase field crystal model (APFC) allows for describing crystal lattice properties on…

Computational Physics · Physics 2019-04-25 Simon Praetorius , Marco Salvalaglio , Axel Voigt

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…

The phase-field crystal equation, a parabolic, sixth-order and nonlinear partial differential equation, has generated considerable interest as a possible solution to problems arising in molecular dynamics. This is because the phase-field…

Mathematical Physics · Physics 2015-07-29 Philippe Vignal , Lisandro Dalcin , Donald L. Brown , Nathan Collier , Victor M. Calo

The phase-field crystal model is by now widely used in order to predict crystal nucleation and growth. For colloidal solidification with completely overdamped individual particle motion, we show that the phase-field crystal dynamics can be…

Soft Condensed Matter · Physics 2009-05-28 Sven van Teeffelen , Rainer Backofen , Axel Voigt , Hartmut Löwen

We present a new phase-field model of solidification which allows efficient computations in the regime when interface kinetic effects dominate over capillary effects. The asymptotic analysis required to relate the parameters in the…

Condensed Matter · Physics 2007-05-23 Kalin Vetsigian , Nigel Goldenfeld

A new phase field crystal (PFC) type theory is presented, which accounts for the full spectrum of solid-liquid-vapor phase transitions within the framework of a single density order parameter. Its equilibrium properties show the most…

Materials Science · Physics 2015-06-23 Gabriel Kocher , Nikolas Provatas

In this work, we propose a numerical approach for simulations of large deformations of interfaces in a level set framework. To obtain a fast and viable numerical solution in both time and space, temporal discretization is based on the…

General Mathematics · Mathematics 2023-05-30 Aymen Laadhari , Ahmad Deeb

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 propose and analyse new stabilized time marching schemes for Phase Fields model such as Allen-Cahn and Cahn-Hillard equations, when discretized in space with high order finite differences compact schemes. The stabilization applies to…

Numerical Analysis · Mathematics 2019-10-01 Matthieu Brachet , Jean-Paul Chehab

Computing stationary states is an important topic for phase field crystal (PFC) models. Great efforts have been made for energy dissipation of the numerical schemes when using gradient flows. However, it is always time-consuming due to the…

Numerical Analysis · Mathematics 2019-09-04 Kai Jiang , Wei Si , Chenglong Bao

We present a detailed benchmark comparing two state-of-the-art phase-field implementations for simulating alloy solidification under experimentally relevant conditions. The study investigates the directional solidification of Al-3wt%Cu…

Materials Science · Physics 2026-04-30 Jiefu Tian , David Montiel , Kaihua Ji , Trevor Lyons , Jason Landini , Katsuyo Thornton , Alain Karma

Understanding the microstuctural evolution during the sintering process is of high relevance as it is a key part in many industrial manufacturing processes. Simulations are one avenue to achieve this understanding, especially field-resolved…

Materials Science · Physics 2023-05-17 Marco Seiz , Henrik Hierl , Britta Nestler

The phase field crystal (PFC) method has emerged as a promising technique for modeling materials with atomistic resolution on mesoscopic time scales. The approach is numerically much more efficient than classical density functional theory…

Materials Science · Physics 2015-05-18 Michael Greenwood , Nikolas Provatas , Jörg Rottler

The phase-field crystal (PFC) model describes crystal structures at diffusive timescales through a periodic, microscopic density field. It has been proposed to model elasticity in crystal growth and encodes most of the phenomenology related…

Materials Science · Physics 2025-01-23 Maik Punke , Marco Salvalaglio

We report on a novel extension of the recent phase-field crystal (PFC) method introduced in [Elder et al., Phys. Rev. Lett., Vol. 88, 245701:1-4 (2002)], which incorporates elastic interactions as well as crystal plasticity and diffusive…

Materials Science · Physics 2009-11-11 Peter Stefanovic , Mikko Haataja , Nikolas Provatas

The solidification of polycrystalline materials can be modelled by orientation-field models, which are formulated in terms of two continuous fields: a phase field that describes the thermodynamic state and an orientation field that…

Materials Science · Physics 2015-06-05 Hervé Henry , Jesper Mellenthin , Mathis Plapp

In the literature, two quite different phase-field formulations for the problem of alloy solidification can be found. In the first, the material in the diffuse interfaces is assumed to be in an intermediate state between solid and liquid,…

Materials Science · Physics 2011-11-23 Mathis Plapp

We consider a strongly nonlinear PDE system describing solid-solid phase transitions in shape memory alloys. The system accounts for the evolution of an order parameter (related to different symmetries of the crystal lattice in the phase…

Analysis of PDEs · Mathematics 2013-07-08 Elena Bonetti , Pierluigi Colli , Mauro Fabrizio , Gianni Gilardi

We investigate a phase-field-crystal model for homogeneous nucleation. Instead of solving the time evolution of a density field towards equilibrium we use a String Method to identify saddle points in phase space. The saddle points allow to…

Statistical Mechanics · Physics 2014-07-04 Rainer Backofen , Axel Voigt

This work proposes an extension of phase change and latent heat models for the simulation of metal powder bed fusion additive manufacturing processes on the macroscale and compares different models with respect to accuracy and numerical…

Computational Engineering, Finance, and Science · Computer Science 2021-09-07 Sebastian D. Proell , Wolfgang A. Wall , Christoph Meier