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Polycrystalline materials undergoing coarsening can be represented as evolving networks of grain boundaries, whose statistical characteristics determine macroscopic materials properties. The process of formation of various statistical…

Materials Science · Physics 2015-02-23 Claudio Torres , Maria Emelianenko , Dmitry Golovaty , David Kinderlehrer , Shlomo Ta'asan

A continuum grain boundary model is developed that uses experimentally measured grain boundary energy data as a function of misorientation to simulate idealized grain boundary evolution in a 1-D grain array. The model uses a continuum…

Materials Science · Physics 2024-01-29 Syed Ansari , Amit Acharya , Alankar Alankar

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

Grain boundaries dramatically affect the properties of polycrystalline materials because of differences in atomic configuration. To fully understand the relationship between grain boundaries and materials properties, systematic studies of…

Materials Science · Physics 2021-01-19 Shin Kiyohara , Tomohiro Miyata , Teruyasu Mizoguchi

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

The study of grain boundary phase transitions is an emerging field until recently dominated by experiments. The major bottleneck in exploration of this phenomenon with atomistic modeling has been the lack of a robust computational tool that…

Materials Science · Physics 2018-02-21 Qiang Zhu , Amit Samanta , Bingxi Li , Robert E. Rudd , Timofey Frolov

An open question in studying normal grain growth concerns the asymptotic state to which microstructures converge. In particular, the distribution of grain topologies is unknown. We introduce a thermodynamic-like theory to explain these…

Materials Science · Physics 2020-07-07 Emanuel A. Lazar , Jeremy K. Mason , Robert D. MacPherson , David J. Srolovitz

Grain boundaries often exhibit ordered atomic structures. Increasing amounts of evidence have been provided by transmission electron microscopy and atomistic computer simulations that different stable and metastable grain boundary…

Materials Science · Physics 2023-02-14 Tobias Brink , Lena Langenohl , Hanna Bishara , Gerhard Dehm

We study kinetic theories for isotropic, two-dimensional grain boundary networks which evolve by curvature flow. The number densities $f_s(x,t)$ for $s$-sided grains, $s =1,2,\ldots$, of area $x$ at time $t$, are modeled by kinetic…

Analysis of PDEs · Mathematics 2021-03-23 Joe Klobusicky , Govind Menon , Robert L. Pego

Grain growth simulation is crucial for predicting metallic material microstructure evolution during annealing and resulting final mechanical properties, but traditional partial differential equation-based methods are computationally…

Materials Science · Physics 2025-05-09 Pungponhavoan Tep , Marc Bernacki

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

Structural transformations at interfaces are of profound fundamental interest as complex examples of phase transitions in low-dimensional systems. Despite decades of extensive research, no compelling evidence exists for structural…

Materials Science · Physics 2013-05-28 Timofey Frolov , David L. Olmsted , Mark Asta , Yuri Mishin

Microstructural evolution in structural materials is known to occur in response to mechanical loading and can often accommodate substantial plastic deformation through the coupled motion of grain boundaries (GBs). This can produce desirable…

Mesoscale and Nanoscale Physics · Physics 2025-06-06 Daniel Bugas , Brandon Runnels

Data based materials science is the new promise to accelerate materials design. Especially in computational materials science, data generation can easily be automatized. Usually, the focus is on processing and evaluating the data to derive…

Materials Science · Physics 2022-04-28 Martin Kroll , Timo Schmalofski , Holger Dette , Rebecca Janisch

Many physical systems can be modeled as large sets of domains "glued" together along boundaries - biological cells meet along cell membranes, soap bubbles meet along thin films, countries meet along geopolitical boundaries, and metallic…

Materials Science · Physics 2015-12-30 Jeremy K. Mason , Emanuel A. Lazar , Robert D. MacPherson , David J. Srolovitz

Grain boundaries affect properties of polycrystalline materials. The influence of a boundary is largely determined by its energy. Grain boundary energy is often portrayed as a function of macroscopic boundary parameters representing grain…

Materials Science · Physics 2025-01-07 Adam Morawiec

Obtaining microscopic structure-property relationships for grain boundaries are challenging because of the complex atomic structures that underlie their behavior. This has led to recent efforts to obtain these relationships with machine…

We use atomistic simulations to investigate grain boundary (GB) phase transitions in el- emental body-centered cubic (bcc) metal tungsten. Motivated by recent modeling study of grain boundary phase transitions in [100] symmetric tilt…

Materials Science · Physics 2018-04-17 Timofey Frolov , Qiang Zhu , Tomas Oppelstrup , Jaime Marian , Robert E. Rudd

This paper investigates the statistical behavior of two-dimensional grain microstructures during grain growth under anisotropic grain boundary characters. We employ the threshold-dynamics method, which allows for unparalleled computational…

Materials Science · Physics 2023-09-19 Jaekwang Kim , Nikhil Chandra Admal

A threshold dynamics model of grain growth that accounts for the anisotropy in the grain boundary energy has been used to simulate experimentally observed grain growth of polycrystalline Ni. The simulation reproduces several aspects of the…

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