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Grain boundary sliding (GBS) is a key deformation mechanism at high homologous temperatures in polycrystalline materials, however, its intrinsic behavior is often obscured by additional strain accommodation processes. In this study,…

Materials Science · Physics 2026-04-20 Divya Sri Bandla , Subin Lee , Christoph Kirchlechner

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

Grain boundary (GB) diffusion in polycrystalline materials is a physical phenomenon of great fundamental interest and practical significance. Although the accelerated ("short circuit") atomic transport along GBs has been known for decades,…

Materials Science · Physics 2022-08-02 Ian Chesser , Yuri Mishin

Grain boundary (GB) properties greatly influence the mechanical, electrical, and thermal response of polycrystalline materials. Most computational studies of GB properties at finite temperatures use molecular dynamics (MD), which is…

Materials Science · Physics 2025-06-06 Miguel Spínola , Shashank Saxena , Prateek Gupta , Brandon Runnels , Dennis M. Kochmann

Grain boundaries (GBs) are planar lattice defects that govern the properties of many types of polycrystalline materials. Hence, their structures have been investigated in great detail. However, much less is known about their chemical…

Grain boundaries (GBs) can be treated as two-dimensional (2-D) interfacial phases (also called 'complexions') that can undergo interfacial phase-like transitions. As bulk phase diagrams and calculation of phase diagram (CALPHAD) methods are…

Materials Science · Physics 2022-09-05 Jian Luo

In order to control the grain structure of multi-crystalline (mc) silicon during directional solidification, the development process of grain boundaries (GBs) with respect to the temperature gradient should be understood. A phase-field…

Materials Science · Physics 2022-06-13 Chuanqi Zhu , Yuichiro Koizumi , Chunwen Guo

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

A novel continuum theory of incoherent interfaces with triple junctions is applied to study three-dimensional coupled grain boundary (GB) motion in polycrystalline materials. The kinetic relations for grain dynamics, relative sliding and…

Materials Science · Physics 2017-02-08 Anup Basak , Anurag Gupta

The study of defect phases is important for designing nanostructured metals and alloys. Grain boundaries (GBs) form one class of defects that directly influence materials properties, such as deformability and strength. At the same time,…

Materials Science · Physics 2023-03-20 P. Mathews , S. Zhang , C. Scheu , R. Janisch , J. Neugebauer , T. Hickel

Grain boundaries (GBs) and interfaces in polycrystalline materials are significant research subjects in the field of materials science. Despite a more than 50-year history of their study, there are still many open questions. The main…

Materials Science · Physics 2021-06-28 Arslan B. Mazitov , Artem R. Oganov

Previous studies demonstrate that grain-boundary sliding could accelerate creep rate and give rise to large internal stresses that can lead to damage development, e.g. formation of wedge cracks. The present study provides more insight into…

Materials Science · Physics 2021-03-02 Markian Petkov , Elsiddig Elmukashfi , Edmund Tarleton , Alan C. F. Cocks

Grain Boundary (GB) deformation mechanisms such as Sliding (GBS) and Opening (GBO) are prevalent in alloys at high homologous temperatures but are hard to capture quantitatively. We propose an automated procedure to quantify 3D GB…

Materials Science · Physics 2025-07-24 C. J. A. Mornout , G. Slokker , T. Vermeij , D. König , J. P. M. Hoefnagels

A discrete model and the regular solution approximation are applied to describe the effect of grain boundary motion on grain boundary phase transformations in a binary alloy. The model predicts all thermodynamic properties of the grain…

Materials Science · Physics 2019-05-13 Y. Mishin

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 boundary (GB) segregation is a powerful approach for optimizing the thermal and mechanical properties of metal alloys. In this study, we report significant GB interstitial segregation in a representative substitutional binary alloy…

Materials Science · Physics 2025-05-27 Zuoyong Zhang , Chuang Deng

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

Grain boundary (GB) migration is a pivotal process that significantly impacts the development of microstructures, thereby influencing the practical performance of polycrystalline materials. Recent advances in 3D experimental techniques have…

Materials Science · Physics 2026-01-06 Jianfeng Hu

Microscopic models of the interaction between grain boundaries (GBs) and both dislocations and cracks are of importance in understanding the role of microstructure in altering the mechanical properties of a material. A recently developed…

Materials Science · Physics 2009-10-30 V. B. Shenoy , R. Miller , E. B. Tadmor , R. Phillips , M. Ortiz

Previous simulation and experimental studies have shown that some grain boundaries (GBs) can couple to applied shear stresses and be moved by them, producing shear deformation of the lattice traversed by their motion. While this coupling…

Materials Science · Physics 2012-06-18 Z. T. Trautt , A. Adland , A. Karma , Y. Mishin