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Amorphous grain boundary complexions act as toughening features within a microstructure because they can absorb dislocations more efficiently than traditional grain boundaries. This toughening effect should be a strong function of the local…

Materials Science · Physics 2023-08-09 Pulkit Garg , Timothy J. Rupert

The thermodynamic theory of dislocation/grain boundary interaction, including dislocation pile-up against, absorption by, and transfer through the grain boundary, is developed for nonuniform plastic deformations in polycrystals. The case…

Materials Science · Physics 2022-03-14 Yinguang Piao , Khanh Chau Le

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

In this paper we have investigated, through computer simulations, dislocation nucleation and dislocation dynamics in a heterostructure system with the lattice-mismatch interface, i.e. a system with internal strain. In particular, we have…

Materials Science · Physics 2018-04-20 Marco Patriarca , Antti Kuronen , Kimmo Kaski

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

Atomistic simulations provide the most detailed picture of grain boundary (GB) migration currently available. Nevertheless, extracting unit mechanisms from atomistic simulation data is difficult because of the zoo of competing,…

Materials Science · Physics 2025-06-06 Ian Chesser , Brandon Runnels , Elizabeth Holm

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

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

We derive a theory that describes homogeneous nucleation of grain boundary (GB) phases. Our analysis takes account of the energy resulting from the GB phase junction, the line defect separating two different GB structures, which is…

Materials Science · Physics 2022-02-02 Ian S. Winter , Robert E. Rudd , Tomas Oppelstrup , Timofey Frolov

The dynamics of dislocation assemblies in deforming crystals indicate the emergence of collective phenomena, intermittent fluctuations and strain avalanches. In polycrystalline materials, the understanding of plastic deformation mechanisms…

Materials Science · Physics 2009-11-13 Paolo Moretti , Lasse Laurson , Mikko J. Alava

Atomistic simulations are used to explore the effect of interfacial structure on residual radiation damage. Specifically, an ordered grain boundary is compared to a disordered amorphous intergranular film, to investigate how interface…

Materials Science · Physics 2015-07-31 Joseph E. Ludy , Timothy J. Rupert

Thermodynamic dislocation theory incorporating dislocation impediment by the grain boundaries is developed to analyze the shear test of polycrystals. With a small set of physics based material parameters, we are able to simulate the…

Materials Science · Physics 2021-04-13 Yinguang Piao , Khanh Chau Le

Axial segregation of a binary mixture of grains in a rotating drum is studied using Molecular Dynamics (MD) simulations. A force scheme leading to a constant restitution coefficient is used and shows that axial segregation is possible…

Other Condensed Matter · Physics 2009-11-10 Nicolas Taberlet , Wolfgang Losert , Patrick Richard

Grain boundary networks and their evolution are strongly influenced by triple junctions. The defect nature of these line defects significantly affects the properties of the network, but they have not been fully characterized to date. Here,…

Materials Science · Physics 2026-02-05 Tobias Brink , Saba Saood , Peter Schweizer , Jörg Neugebauer , Gerhard Dehm

The kinetics of dislocations is studied with computer simulation at loadings of different intensity. It is established that the dislocations have a few different structural states. The dislocations "with the micropore" play important role…

Materials Science · Physics 2007-05-23 L. S. Metlov

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 interactions between dislocations and interface/grain boundaries, including dislocation absorption, transmission, and reflection, have garnered significant attention from the research community for their impact on the mechanical…

Applied Physics · Physics 2023-09-29 Jinxin Yu , Alfonso H. W. Ngan , David J. Srolovitz , Jian Han

This study delves into the complex mechanisms of defect production and accumulation in nanocrystalline tungsten under irradiation, with a particular focus on the interplay between grain boundaries and free surfaces. Through molecular…

Materials Science · Physics 2024-03-20 Yang Zhang , Predrag Krstic , Jason R. Trelewicz

Grain boundaries can exist as different grain boundary phases (also called complexions) with individual atomic structures. The thermodynamics of these defect phases in high-angle grain boundaries were studied mostly with atomistic and phase…

The imprint effect, a significant reliability challenge in ferroelectric memories, manifests as a shift in the coercive field during retention and endurance tests, ultimately degrading the usable memory window. \rv{While traditional models…

Materials Science · Physics 2025-12-17 Huanhuan Tian , Jianguo Yang , Ming Liu
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