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The work introduces a 3D cellular automaton model for the spatial and crystallographic prediction of spherulite growth phenomena in polymers at the mesoscopic scale. The automaton is discrete in time, real space, and orientation space. The…

Soft Condensed Matter · Physics 2008-11-11 D. Raabe

Rapid solidification experiments on thin film aluminum samples reveal the presence of lattice orientation gradients within crystallizing grains. To study this phenomenon, a single-component phase-field crystal (PFC) model that captures the…

A highly efficient simulation model for 2D and 3D grain growth and recrystallization was developed based on the level-set method. The model introduces modern computational concepts to achieve excellent performance on parallel computer…

Computational Physics · Physics 2017-10-25 Christian Mießen , Nikola Velinov , Günter Gottstein , Luis A. Barrales-Mora

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

Solidification is an important process in many alloy processing routes. The solidified microstructure of alloys is usually made up of dendrites, eutectics or a combination of both. The evolving morphologies are largely determined by the…

Materials Science · Physics 2024-12-17 Marco Seiz , Michael Kellner , Britta Nestler

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

The influence of grain size on the flow stress of various FCC polycrystals (Cu, Al, Ag and Ni) has been analyzed by means of computational homogenization of a representative volume element of the microstructure using a FFT approach in…

Materials Science · Physics 2020-01-08 S. Haouala , S. Lucarini , J. LLorca , J. Segurado

Interfacial segregation can stabilize grain structures and even lead to grain boundary complexion transitions. However, understanding of the complexity of such phenomena in polycrystalline materials is limited, as most studies focus on…

Materials Science · Physics 2021-07-02 P Garg , Z Pan , V Turlo , TJ Rupert

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

We present a computational framework for the simulations of powder-bed fusion of metallic alloys, which combines: (1) CalPhaD calculations of temperature-dependent alloy properties and phase diagrams, (2) macroscale finite element (FE)…

Materials Science · Physics 2022-05-10 S. M. Elahi , R. Tavakoli , A. K. Boukellal , T. Isensee , I. Romero , D. Tourret

Primary {\gamma}' phase instead of carbides and borides plays an important role in suppressing grain growth during solution at 1433K of FGH98 nickel-based polycrystalline alloys. Results illustrate that as-fabricated FGH98 has equiaxed…

Computation · Statistics 2021-06-10 Shasha Liua , Yiling Jianga , Ronggui Lua , Xu Cheng , Jia Lia , Yang Chen , Gaofeng Tian

Understanding the morphology formation process of solution-cast photoactive layers (PALs) is crucial to derive design rules for optimized and reliable third generation solar cell fabrication. For this purpose, a Phase-Field (PF)…

Materials Science · Physics 2023-10-19 Maxime Siber , Olivier J. J. Ronsin , Jens Harting

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

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

Mean-field models have the ability to predict grain size distribution evolution occurring through thermomechanical solicitations. This article focuses on a comparison of mean-field models under grain growth conditions. Different…

Materials Science · Physics 2023-10-31 Marion Roth , Baptiste Flipon , Nathalie Bozzolo , Marc Bernacki

We study segregation and stratification of mixtures of grains differing in size, shape and material properties poured in two-dimensional silos using a microscopic lattice model for surface flows of grains. The model incorporates the…

Statistical Mechanics · Physics 2009-10-31 Hernan A. Makse , Hans J. Herrmann

Spontaneous stratification of granular mixtures has been reported by Makse et al. [Nature 386, 379 (1997)] when a mixture of grains differing in size and shape is poured in a quasi-two-dimensional heap. We study this phenomenon using two…

Statistical Mechanics · Physics 2009-10-31 Pierre Cizeau , Hernan A. Makse , H. Eugene Stanley

The dendrite growth in casting and additive manufacturing is rather important and related to the formation of some defects. However, quantitatively simulating the growth of dendrites with arbitrary crystallographic orientations in…

Materials Science · Physics 2021-05-25 Yefeng Yu , Yang Li , Wentao Yan , Feng Lin

In this work, a numerical simulation framework is presented based on the Phase Field Method that is able to capture the evolution of heterogeneous metallic microstructures during solidification. The involved physics can prove especially…

Materials Science · Physics 2021-10-22 Patrick Zimbrod , Johannes Schilp

We study the dynamics and morphology of grain growth with anisotropic energy and mobility of grain boundaries using a generalized phase field model. In contrast to previous studies, both inclination and misorientation of the boundaries are…

Materials Science · Physics 2009-10-31 A. Kazaryan , Y. Wang , S. A. Dregia , Bruce R. Patton