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Grain growth is a well-known and complex phenomenon occurring during annealing of all polycrystalline materials. Its numerical modeling is a complex task when anisotropy sources such as grain orientation and grain boundary inclination have…

Materials Science · Physics 2021-08-11 Sebastian Florez , Julien Fausty , Karen Alvarado , Brayan Murgas , Marc Bernacki

Dynamic recrystallization is one of the main phenomena responsible for microstructure evolutions during hot forming. Consequently, getting a better understanding of DRX mechanisms and being able to predict them is crucial. This paper…

Computational Engineering, Finance, and Science · Computer Science 2022-12-14 Victor Grand , Baptiste Flipon , Alexis Gaillac , Marc Bernacki

Grain microstructures are crucial to the mechanical properties, performance, and often lifetime of metallic components. Hence, the prediction of grain microstructures emerging from solidification processes at relevant macroscopic scale is…

Materials Science · Physics 2025-04-18 Salem Mosbah , Rodrigo Gómez Vázquez , Constantin Zenz , Damien Tourret , Andreas Otto

A new method for the simulation of evolving multi-domains problems has been introduced in a previous work (RealIMotion), Florez et al. (2020). In this article further developments of the model will be presented. The main focus here is a…

Computational Engineering, Finance, and Science · Computer Science 2023-07-19 Sebastian Florez , Julien Fausty , Karen Alvarado , Brayan Murgas , Marc Bernacki

This study proposes a new full-field approach for modeling grain boundary pinning by second phase particles in two-dimensional polycrystals. These particles are of great importance during thermomechanical treatments, as they produce…

Computational Engineering, Finance, and Science · Computer Science 2025-01-22 Sebastian Florez , Marc Bernacki

Many time-dependent deformation processes at elevated temperatures produce significant concurrent microstructure changes that can alter the mechanical properties in a profound manner. Such microstructure evolution is usually absent in…

Materials Science · Physics 2016-02-04 Pengyang Zhao , Thaddeus Song En Low , Yunzhi Wang , Stephen R. Niezgoda

Accurate modeling of polycrystalline microstructure evolution under strong crystallographic heterogeneities remains a major challenge for full-field numerical methods at the mesoscopic scale. In this work, we present a high-fidelity…

Materials Science · Physics 2026-03-13 Tianchi Li , Marc Bernacki

Multiscale systems are ubiquitous in science and technology, but are notoriously challenging to simulate as short spatiotemporal scales must be appropriately linked to emergent bulk physics. When expensive high-dimensional dynamical systems…

Machine Learning · Computer Science 2025-12-30 Quercus Hernandez , Max Win , Thomas C. O'Connor , Paulo E. Arratia , Nathaniel Trask

Recent advances in random-walk particle-tracking have enabled direct simulation of mixing and reactions on particles by allowing the particles to interact with each other using a multi-point mass transfer scheme. The mass transfer scheme…

Computational Physics · Physics 2019-04-22 Nicholas B. Engdahl , Michael J. Schmidt , David A. Benson

High-dimensional recordings of dynamical processes are often characterized by a much smaller set of effective variables, evolving on low-dimensional manifolds. Identifying these latent dynamics requires solving two intertwined problems:…

Machine Learning · Computer Science 2026-01-21 Manuel Hinz , Maximilian Mauel , Patrick Seifner , David Berghaus , Kostadin Cvejoski , Ramses J. Sanchez

In so-called Lagrangian melting problems, a solid immersed in a fluid medium is free to rotate and translate in tandem with its phase-change from solid to liquid. Such configurations may be classified as a fluid-solid interaction (FSI)…

Fluid Dynamics · Physics 2025-01-16 Kevin Zhong , Christopher J. Howland , Detlef Lohse , Roberto Verzicco

Coarse graining (CG) is an important task for efficient modeling and simulation of complex multi-scale systems, such as the conformational dynamics of biomolecules. This work presents a projection-based coarse-graining formalism for general…

Computational Physics · Physics 2026-05-28 Vahid Nateghi , Lara Neureither , Selma Moqvist , Carsten Hartmann , Simon Olsson , Feliks Nüske

In mesoscopic scale microstructure evolution modeling, two primary numerical frameworks are used: Front-Capturing (FC) and Front-Tracking (FT) ones. FC models, like phase-field or level-set methods, indirectly define interfaces by tracking…

Materials Science · Physics 2025-10-28 Marc Bernacki

We review some recent coarse-graining and multi-scale methods, but also put forward some new ideas for addressing such issues. We find that, if one is guided by nonequilibrium statistical mechanics and thermodynamics, it is possible to…

Soft Condensed Matter · Physics 2009-11-06 Patrick Ilg , Vlasis Mavrantzas , Hans Christian Öttinger

Machine learning has been successfully applied to grid-based PDE modeling in various scientific applications. However, learned PDE solvers based on Lagrangian particle discretizations, which are the preferred approach to problems with free…

Machine Learning · Computer Science 2023-10-31 Artur P. Toshev , Gianluca Galletti , Fabian Fritz , Stefan Adami , Nikolaus A. Adams

This work is based upon a coupled, lattice-based continuum formulation that was previously applied to problems involving strong coupling between mechanics and mass transport; e.g. diffusional creep and electromigration. Here we discuss an…

Computational Physics · Physics 2007-05-23 Hashem M. Mourad , Krishna Garikipati

This study addresses ductile fracture of single grains in metals by modeling of the formation and propagation of transgranular cracks. A proposed model integrates gradient extended hardening, phase-field modeling for fracture, and crystal…

Numerical Analysis · Mathematics 2024-11-01 Kim Louisa Auth , Jim Brouzoulis , Magnus Ekh

In the present article, novel Coarse-Graining (CG) algorithms for the Eulerian-Lagrangian (EL) simulation of particle-laden flows are proposed. These include different variants of Reproducing Kernel Particle Methods (RKPM) and an extended…

Fluid Dynamics · Physics 2025-11-12 H. Eshraghi , E. Amani , M. Saffar-Avval

The granular microstructure of metals evolves significantly during thermomechanical processing through viscoplastic deformation and recrystallization. Microstructural features such as grain boundaries (GBs), subgrains, localized deformation…

Materials Science · Physics 2025-06-11 Izzet Tarik Tandogan , Michael Budnitzki , Stefan Sandfeld

Self-organized pattern formation is vital for many biological processes. Reaction-diffusion models have advanced our understanding of how biological systems develop spatial structures, starting from homogeneity. However, biological…

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