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The large time and length scales and, not least, the vast number of particles involved in industrial-scale simulations inflate the computational costs of the Discrete Element Method (DEM) excessively. Coarse grain models can help to lower…

Computational Physics · Physics 2017-05-11 Daniel Queteschiner , Thomas Lichtenegger , Simon Schneiderbauer , Stefan Pirker

This study addresses microstructure selection mechanisms in rapid solidification, specifically targeting the transition from cellular/dendritic to planar interface morphologies under conditions relevant to additive manufacturing. We use a…

We introduce a generalized machine learning framework to probabilistically parameterize upper-scale models in the form of nonlinear PDEs consistent with a continuum theory, based on coarse-grained atomistic simulation data of mechanical…

Originally motivated by the morphogenesis of bacterial microcolonies, the aim of this article is to explore models through different scales for a spatial population of interacting, growing and dividing particles. We start from a microscopic…

Analysis of PDEs · Mathematics 2025-01-07 Marie Doumic , Sophie Hecht , Marc Hoffmann , Diane Peurichard

Dopants can significantly affect the properties of oxide ceramics through their impact on the property-determined microstructure characteristics such as grain boundary (GB) segregation, space charge layer formation in the GB vicinity, and…

We introduce a three-dimensional, computationally feasible, mesoscopic model for snow crystal growth, based on diffusion of vapor, anisotropic attachment, and a semi-liquid boundary layer. Several case studies are presented that faithfully…

Mathematical Physics · Physics 2007-11-27 Janko Gravner , David Griffeath

The phase separation mechanism of a binary liquid mixture off-critically quenched in its miscibility gap is nucleation and growth, its homogeneous phase reaching a metastable equilibrium state. The successive stages of growth of the…

Statistical Mechanics · Physics 2009-11-18 Jean Colombani , Jacques Bert

A model for phase transitions initiated on grain boundaries is proposed and tested against numerical simulations: this approach based on a grain explicit model (GEM) allows to consider the granular structure, yielding accurate predictions…

Materials Science · Physics 2015-06-12 Bertrand Rouet-Leduc , Jean-Bernard Maillet , Christophe Denoual

Coarse-grain Lagrangian methods, such as Dissipative Particle Dynamics ( Hoogerbrugge et al., EPL, 1992), are suitable for describing mesoscopic fluid systems that include thermal fluctuations. However, the realistic simulation of liquids…

Soft Condensed Matter · Physics 2026-03-13 Giuseppe Colella , Allan D. Mackie , James P. Larentzos , Fernando Bresme , Josep Bonet Avalos

The displacement of a fluid by another less viscous one in a quasi-two dimensional geometry typically leads to complex fingering patterns. In an isotropic system, dense-branching growth arises, which is characterized by repeated…

Fluid Dynamics · Physics 2021-01-19 Qing Zhang , Amin Amooie , Martin Z. Bazant , Irmgard Bischofberger

We present a convergence result for the finite volume method applied to a particular phase field problem suitable for simulation of pure substance solidification. The model consists of the heat equation and the phase field equation with a…

Numerical Analysis · Mathematics 2020-10-14 Aleš Wodecki , Pavel Strachota , Michal Beneš

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

Nutrient gradients and limitations play a pivotal role in the life of all microbes, both in their natural habitat as well as in artificial, microfluidic systems. Spatial concentration gradients of nutrients in densely packed cell…

We present a collision model for phase-resolved Direct Numerical Simulations of sediment transport that couple the fluid and particles by the Immersed Boundary Method. Typically, a contact model for these types of simulations comprises a…

Fluid Dynamics · Physics 2017-04-18 Edward Biegert , Bernhard Vowinckel , Eckart Meiburg

In recent years, simulation methods based on the scaling of atomic potential functions, such as quasi-coarse-grained dynamics and coarse-grained dynamics, have shown promising results for modeling crystalline systems at multiple scales.…

Mesoscale and Nanoscale Physics · Physics 2024-09-11 Dong-Dong Jiang , Jian-Li Shao

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

Facetted growth of snow crystals leads to a rich diversity of forms, and exhibits a remarkable sixfold symmetry. Snow crystal structures result from diffusion limited crystal growth in the presence of anisotropic surface energy and…

Materials Science · Physics 2012-08-02 John W. Barrett , Harald Garcke , Robert Nürnberg

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

Amorphization during severe plastic deformation has been observed in various crystalline materials, yet its underlying mechanisms remain poorly understood. This study introduces a novel phase-field model at the mesoscale, integrating…

Materials Science · Physics 2025-10-10 Yuntong Huang , Shuyang Dai , Chuqi Chen , Yang Xiang

Present work is a theoretical study on the stability of the thermotropic biaxial nematic liquid crystal phase in model systems. Its main aim is to present the phase diagrams of spatially uniform liquid mesophases and to identify the…

Soft Condensed Matter · Physics 2009-07-07 Piotr Grzybowski
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