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The topological transitions that occur to the grain boundary network during grain growth in a material with uniform grain boundary energies are believed to be known. The same is not true for more realistic materials, since more general…

Materials Science · Physics 2021-10-29 Erdem Eren , Jeremy K. Mason

Systematic microstructure design requires reliable thermodynamic descriptions of each and all microstructure elements. While such descriptions are well established for most bulk phases, thermodynamic assessment of crystal defects is…

Materials Science · Physics 2021-07-02 Reza Darvishi Kamachali

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

Numerous full-field numerical methods exist concerning the digital description of polycrystalline materials and the modeling of their evolution during thermomechanical treatments. However, these strategies are globally dedicated to the…

Computational Engineering, Finance, and Science · Computer Science 2022-08-22 Nitish Chandrappa , Marc Bernacki

Deformation microstructure heterogeneities play a pivotal role during dislocation patterning and interface network restructuring. Thus, they affect indirectly how an alloy recrystallizes if at all. Given this relevance, it has become common…

Computational Engineering, Finance, and Science · Computer Science 2020-06-24 Markus Kühbach , Franz Roters

Experimental grain growth observations often deviate from grain growth simulations, revealing that the governing rules for grain boundary motion are not fully understood. A novel deep learning model was developed to capture grain growth…

Grain Growth strongly influences the mechanical behavior of materials, making its prediction a key objective in microstructural engineering. In this study, several deep learning approaches were evaluated, including recurrent neural networks…

Machine Learning · Computer Science 2025-11-18 Eliane Younes , Elie Hachem , Marc Bernacki

Understanding and predicting microstructure evolution is fundamental to materials science, as it governs the resulting properties and performance of materials. Traditional simulation methods, such as phase-field models, offer high-fidelity…

Machine Learning · Computer Science 2026-02-24 Michael Trimboli , Mohammed Alsubaie , Sirani M. Perera , Ke-Gang Wang , Xianqi Li

We present a high-fidelity three dimensional computational framework for simulating the bulk mechanical behavior of granular aggregates composed of deformable brittle grains. Departing from classical discrete element methods (DEM), our…

Soft Condensed Matter · Physics 2025-07-16 Debdeep Bhattacharya , Davood Damircheli , Robert P. Lipton

This study proposes a new analytical model for grain boundary pinning by second phase particles in two-dimensional polycrystals. This approach not only considers how particles impede grain growth, but also elucidates their role in…

Materials Science · Physics 2024-04-23 Madeleine Bignon , Marc Bernacki

Predicting microstructure evolution during thermomechanical treatment is essential for determining the final mechanical properties of a material, yet conventional simulations based on Partial Differential Equations (PDEs) remain…

Materials Science · Physics 2026-03-26 Pungponhavoan Tep , Marc Bernacki

Recrystallization is a phenomenon in which a plastically deformed polycrystalline microstructure with a high dislocation density transforms into another that has low dislocation density. This evolution is driven by the stored energy in…

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

When a metal is loaded mechanically at high temperatures, i.e. above 300 $^o$C, its grain microstructure evolves due to multiple physical mechanisms. Two of which are the curvature-driven migration of the grain boundaries due to increased…

Materials Science · Physics 2024-07-26 Izzet Tarik Tandogan , Michael Budnitzki , Stefan Sandfeld

The grain boundary-mediated mechanisms that control plastic deformation of nanocrystalline metals should cause evolution of the grain boundary network, since they directly alter misorientation relationships between crystals. Unfortunately,…

Materials Science · Physics 2016-07-21 Jason F. Panzarino , Timothy J. Rupert

The formation of microstructures in metallic alloys during hot metal forming involves simultaneous metallurgical complex phenomena. Traditional high-fidelity numerical frameworks used on the polycrystalline scale tend to focus on…

Materials Science · Physics 2024-05-24 Nitish Chandrappa , Marc Bernacki

Numerical simulations of vein evolution contribute to a better understanding of processes involved in their formation and possess the potential to provide invaluable insights into the rock deformation history and fluid flow pathways. The…

Geophysics · Physics 2015-06-18 Kumar Ankit , Michael Selzer , Britta Nestler

Simulation-based approaches to microstructure generation can suffer from a variety of limitations, such as high memory usage, long computational times, and difficulties in generating complex geometries. Generative machine learning models…

Graphics · Computer Science 2025-03-10 Nathan Hoffman , Cashen Diniz , Dehao Liu , Theron Rodgers , Anh Tran , Mark Fuge

In nuclear fusion reactors, tungsten will be exposed to high neutron loads at high temper atures (>900 C). The evolution and degradation of the mechanical properties under these conditions is uncertain and therefore constitutes a major…

Materials Science · Physics 2019-01-11 A. Mannheim , J. A. W. van Dommelen , M. G. D. Geers

Surrogate models driven by sizeable datasets and scientific machine-learning methods have emerged as an attractive microstructure simulation tool with the potential to deliver predictive microstructure evolution dynamics with huge savings…

Materials Science · Physics 2024-01-22 Shaoxun Fan , Andrew L. Hitt , Ming Tang , Babak Sadigh , Fei Zhou