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The migration of grain boundaries leads to grain growth in polycrystals and is one mechanism of grain-boundary-mediated plasticity, especially in nanocrystalline metals. This migration is due to the movement of dislocation-like defects,…

材料科学 · 物理学 2024-05-09 Swetha Pemma , Rebecca Janisch , Gerhard Dehm , Tobias Brink

Grain boundary complexions have been observed to affect the mechanical behavior of nanocrystalline metals, improving both strength and ductility. While an explanation for the improved ductility exists, the observed effect on strength…

材料科学 · 物理学 2018-03-28 Vladyslav Turlo , Timothy J. Rupert

Interface migration in microstructures is mediated by the motion of line defects with step and dislocation character, i.e., disconnections. We propose a continuum model for arbitrarily-curved grain boundaries or heterophase interfaces…

材料科学 · 物理学 2023-05-15 Caihao Qiu , Marco Salvalaglio , David J. Srolovitz , Jian Han

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 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…

材料科学 · 物理学 2009-11-13 Paolo Moretti , Lasse Laurson , Mikko J. Alava

We study the Grain Boundary (GB) migration based on the underlying disconnection structure and mechanism. Disconnections are line defects that lie solely within a GB and are characterized by both a Burgers vector and a step height, as set…

材料科学 · 物理学 2019-10-23 Chaozhen Wei , Spencer L. Thomas , Jian Han , David J. Srolovitz , Yang Xiang

Interfacial segregation can stabilize grain structures and even lead to grain boundary complexion transitions. However, understanding of the complexity of such phenomena in polycrystalline materials is limited, as most studies focus on…

材料科学 · 物理学 2021-07-02 P Garg , Z Pan , V Turlo , TJ Rupert

Linear complexions are stable defect states, where the stress field associated with a dislocation induces a local phase transformation that remains restricted to nanoscale dimensions. As these complexions are born at the defects which…

材料科学 · 物理学 2023-10-12 Divya Singh , Daniel S. Gianola , Timothy J. Rupert

Knowledge about grain boundary migration is a prerequisite for understanding and ultimately modulating the properties of polycrystalline materials. Evidence from experiments and molecular dynamics (MD) simulations suggests that the…

材料科学 · 物理学 2021-12-08 Mahi Gokuli , Brandon Runnels

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…

材料科学 · 物理学 2021-06-28 Arslan B. Mazitov , Artem R. Oganov

The material properties of polycrystals are strongly affected by the evolution and coarsening of their internal grain structures. Yet, studying this process is challenging due to the complex interactions within grain boundary networks.…

Molecular dynamics simulations are performed to investigate the role of a coherent {\Sigma}3 (111) twin boundary on the plastic deformation behavior of Cu nanopillars. Our work reveals that the mechanical response of pillars with and…

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…

材料科学 · 物理学 2023-08-09 Pulkit Garg , Timothy J. Rupert

Grain boundary migration governs microstructural evolution in crystalline materials, directly influencing mechanical properties such as strength and thermal stability. Disconnections, which are line defects formed at grain boundaries in…

材料科学 · 物理学 2026-03-27 Hongrui He , Hao Lyu , Xueting Si

Using large-scale atomistic simulations, dislocation mechanics in the presence of linear complexions are investigated in an Fe-Ni alloy, where the complexions appear as nanoparticle arrays along edge dislocation lines. When mechanical shear…

材料科学 · 物理学 2020-12-09 Vladyslav Turlo , Timothy J. Rupert

The dynamical mechanisms underlying the grain evolution and growth are of fundamental importance in controlling the structural properties of large-scale polycrystalline materials, but the effects of lattice ordering and distinct atomic…

材料科学 · 物理学 2022-01-03 Brendon Waters , Zhi-Feng Huang

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…

材料科学 · 物理学 2023-02-14 Tobias Brink , Lena Langenohl , Hanna Bishara , Gerhard Dehm

A continuum dislocation model of formation of grains whose boundaries have a non-vanishing thickness is proposed. For a single crystal deforming in simple shear the lamellar structure of grains with thin layers containing dislocations as…

材料科学 · 物理学 2015-06-12 Michael Koster , Khanh Chau Le

Segregation-induced structural transitions in metallic grain boundaries are studied with hybrid atomistic Monte Carlo/molecular dynamics simulations using Cu-Zr as a model system, with a specific emphasis on understanding the effect of…

材料科学 · 物理学 2016-04-27 Zhiliang Pan , Timothy J. Rupert

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…

材料科学 · 物理学 2019-11-18 M. Magri , G. Lemoine , L. Adam , J. Segurado
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