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Molecular dynamics simulations were used to quantify mechanically-induced structural evolution in nanocrystalline Al with an average grain size of 5 nm. A polycrystalline sample was cyclically strained at different temperatures, while a…

Materials Science · Physics 2015-06-22 Jason F. Panzarino , Jesus J. Ramos , Timothy J. Rupert

A simple numerical model which calculates the kinetics of crystallization involving randomly distributed nucleation and isotropic growth is presented. The model can be applied to different thermal histories and no restrictions are imposed…

Materials Science · Physics 2008-11-17 J. Farjas , P. Roura

The present paper introduces a mathematical model for studying dynamic grain growth. In particular, we show how characteristic measurements, grain volumes, centroids, and central second-order moments at discrete moments in time can be…

Computational Physics · Physics 2023-05-31 Andreas Alpers , Maximilian Fiedler , Peter Gritzmann , Fabian Klemm

The microstructure of polycrystalline materials consists of networks of grain boundaries (GBs) and triple junctions (TJs), along which three GBs meet. The evolution of such microstructures may be driven by surface tension (capillarity),…

Computational Physics · Physics 2019-08-01 Chaozhen Wei , Luchan Zhang , Jian Han , David J. Srolovitz , Yang Xiang

Plastic deformation in polycrystals is governed by the interplay between intra-granular slip and grain boundary-mediated plasticity. However, while the role played by bulk dislocations is relatively well-understood, the contribution of…

Materials Science · Physics 2017-10-02 Nikhil Chandra Admal , Giacomo Po , Jaime Marian

The evolution of interfaces is intrinsic to many physical processes ranging from cavitation in fluids to recrystallization in solids. Computational modeling of interface motion entails a number of challenges, many of which are related to…

Materials Science · Physics 2022-07-26 Erdem Eren , Brandon Runnels , Jeremy Mason

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

A formula of grain growth rate, based on a nonlinear capillarity-driven relation, is derived to predict and interpret realistic growth processes in polycrystalline systems. The derived formula reveals how the growth and stagnation of grains…

Materials Science · Physics 2017-12-12 Jianfeng Hu , Xianhao Wang

Faces-classes of grains, often referred to as topological features, largely dictate the evolution of polycrystalline microstructures during grain growth. Realising these topological features is generally an arduous task, often demanding…

Materials Science · Physics 2023-01-02 Mridhula Venkatanarayanan , P G Kubendran Amos

A multi-phase field model is employed to study the microstructural evolution of an alloy undergoing liquid dealloying. The model proposed extends upon the original approach of Geslin et al. to consider dealloying in the presence of grain…

Materials Science · Physics 2023-08-07 Nathan Bieberdorf , Mark D. Asta , Laurent Capolungo

Atomistic simulations of the molecular dynamics/statics kind are regularly used to study small scale plasticity. Contemporary simulations are performed with tens to hundreds of millions of atoms, with snapshots of these configurations…

Materials Science · Physics 2022-06-17 Aruna Prakash , Stefan Sandfeld

Sintering is an important processing step in both ceramics and metals processing. The microstructure resulting from this process determines many materials properties of interest. Hence the accurate prediction of the microstructure,…

Materials Science · Physics 2024-03-06 Marco Seiz , Henrik Hierl , Britta Nestler , Wolfgang Rheinheimer

A continuum theory based on thermodynamics has been developed for modeling diffusional creep of polycrystalline solids. It consists of a coupled problem of vacancy diffusion and mechanics where the vacancy generation/absorption at grain…

Materials Science · Physics 2019-11-18 M. Magri , G. Lemoine , L. Adam , J. Segurado

We develop a continuum model for the dynamics of grain boundaries in three dimensions that incorporates the motion and reaction of the constituent dislocations. The continuum model is based on a simple representation of densities of curved…

Materials Science · Physics 2021-11-08 Xiaoxue Qin , Luchan Zhang , Yang Xiang

Nanocrystalline (NC) materials are intrinsically unstable against grain growth. Significant research efforts have been dedicated to suppressing the grain growth by solute segregation, including the pursuit of a special NC structure that…

Materials Science · Physics 2024-12-09 Omar Hussein , Yuri Mishin

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

Rate of grain growth, which aides in achieving desired properties in polycrystalline materials, is conventionally estimated by measuring the size of grains and tracking its change in micrographs reflecting the temporal evolution. Techniques…

Materials Science · Physics 2024-06-17 Manoj Prabakar , P G Kubendran Amos

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

We consider the grain growth and stagnation in polycrystalline microstructures. From the phase field crystal modelling of the coarsening dynamics, we identify a transition from a grain-growth stagnation upon deep quenching below the melting…

Materials Science · Physics 2013-09-20 Mathias Bjerre , Jens Magelund Tarp , Luiza Angheluta , Joachim Mathiesen

Grain growth in polycrystals is one of the principal mechanisms that take place during heat treatment of metallic components. This work treats an aspect of the anisotropic grain growth problem. By applying the first principles of…

Computational Engineering, Finance, and Science · Computer Science 2020-06-30 J. Fausty , B. Murgas , S. Florez , N. Bozzolo , M. Bernacki