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We present a MATLAB-based framework for two- and three-dimensional fast Fourier transforms on multiple GPUs for large-scale numerical simulations using the pseudo-spectral Fourier method. The software implements two complementary multi-GPU…

Mathematical Software · Computer Science 2026-03-31 Maik Punke , Marco Salvalaglio

We briefly review the state-of-the-art in phase-field modeling of microstructure evolution. The focus is placed on recent applications of phase-field simulations of solid-state microstructure evolution and solidification that have been…

Materials Science · Physics 2021-10-14 D. Tourret , H. Liu , J. LLorca

Ferroelectric materials can be used for the development of multiple device concepts combining non-volatility, small dimensions, low-power actuation, and electrical tunability. Such development demands efficient and precise design of…

Engineering alloys generally exhibit multi-phase microstructures. For simulating their microstructure evolution during solid-state phase transformation, CALPHAD-guided multi-phase-field models coupled with micro-mechanics have proven to be…

Materials Science · Physics 2023-01-05 Sourav Chatterjee , Daniel Schwen , Nele Moelans

In this research, atomistic molecular dynamics simulations are combined with mesoscopic phase-field computational methods in order to investigate phase-transformation in polycrystalline Aluminum microstructure. In fact, microstructural…

Materials Science · Physics 2019-07-03 Mehrdad Yousefi

In this work, we detail the GPU-porting of an in-house pseudo-spectral solver tailored towards large-scale simulations of interface-resolved simulation of drop- and bubble-laden turbulent flows. The code relies on direct numerical…

Fluid Dynamics · Physics 2024-06-04 Alessio Roccon

A phase-field formulation is introduced to simulate quantitatively microstructural pattern formation in alloys. The thin-interface limit of this formulation yields a much less stringent restriction on the choice of interface thickness than…

Materials Science · Physics 2016-08-31 Alain Karma

Phase-field methods offer a versatile computational framework for simulating large-scale morphological evolution. However, the applicability and predictability of phase-field models are inherently limited by their ad hoc nature, and there…

Materials Science · Physics 2025-10-30 Jaehyeok Jin , David R. Reichman

Phase field simulations play a key role in the understanding of microstructure evolution in additive manufacturing. However, they have been found extremely computationally expensive. One of the reasons is the small time step requirement to…

Computational Physics · Physics 2025-08-01 Chaoqian Yuan , Chinnapat Panwisawas , Ye Lu

The simulation of heat flow through heterogeneous material is important for the design of structural and electronic components. Classical analytical solutions to the heat equation PDE are not known for many such domains, even those having…

Numerical Analysis · Mathematics 2019-05-21 Andrew Loeb , Christopher Earls

The motion of microstructural interfaces is important in modeling materials that undergo twinning and structural phase transformations. Continuum models fall into two classes: sharp-interface models, where interfaces are singular surfaces;…

Materials Science · Physics 2014-12-31 Vaibhav Agrawal , Kaushik Dayal

In this contribution we investigate the application of phase-field fracture models on non-linear multiscale computational homogenization schemes. In particular, we introduce different phase-fields on a two-scale problem and develop a…

Computational Engineering, Finance, and Science · Computer Science 2023-12-21 Felix Schmidt , Stefan Schuß , Christian Hesch

Particle-stabilised emulsions are a cornerstone of soft matter science due to their broad application and fundamental relevance. Computer simulations provide key insights into the formation and behaviour of these emulsions, yet current…

Soft Condensed Matter · Physics 2026-02-19 Elisabeth C. Eij , Joost de Graaf , Martin F. Haase , Jesse M. Steenhoff

Micro-macro models provide a powerful tool to study the relationship between microscale mechanisms and emergent macroscopic behavior. However, the detailed microscopic modeling may require tracking and evolving a high-dimensional…

Computational Physics · Physics 2019-08-13 Steven Cook , Tamar Shinar

The phase field model can accurately simulate the evolution of microstructures with complex morphologies, and it has been widely used for cell modeling in the last two decades. However, compared to other cellular models such as the…

Biological Physics · Physics 2022-06-13 Xiangyu Kuang , Guoye Guan , Chao Tang , Lei Zhang

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

Phase-Field Crystal (PFC) models are able to resolve atomic length scale features of materials during temporal evolution over diffusive time scales. Traditional PFC models contain solid and liquid phases, however many important materials…

Materials Science · Physics 2015-06-16 Edwin J. Schwalbach , James A. Warren , Kuo-An Wu , Peter W. Voorhees

This work develops a new open source API and software package called \textit{SymPhas} for simulations of phase-field, phase-field crystal and reaction-diffusion models, supporting up to three dimensions and an arbitrary number of fields.…

Computational Physics · Physics 2021-09-07 Steven A. Silber , Mikko Karttunen

The conductor-like polarization model (C-PCM) with switching/Gaussian smooth discretization is a widely used implicit solvation model in chemical simulations. However, its application in quantum mechanical calculations of large-scale…

Chemical Physics · Physics 2015-07-03 Fang Liu , Nathan Luehr , Heather J. Kulik , Todd J. Martínez

This paper presents an overview of the theories and computer implementation aspects of phase field models (PFM) of fracture. The advantage of PFM over discontinuous approaches to fracture is that PFM can elegantly simulate complicated…

Geophysics · Physics 2023-09-11 X. Zhuang , S. Zhou , G. D. Huynh , P. Areias , T. Rabczuk
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