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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

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

Grain-boundary-limited charge transport remains a key bottleneck in polycrystalline thermoelectric materials, where reduced carrier mobility degrades electrical conductivity and suppresses the power factor. Here we present a semi-empirical…

The effect of slip transfer on the deformation mechanisms of Al bicrystals was explored using a rate-dependent dislocation-based crystal plasticity model. Three different types of grain boundaries (GBs) were included in the model by…

Materials Science · Physics 2020-01-27 S. Haouala , R. Alizadeh , T. R. Bieler , J. Segurado , J. LLorca

To study materials phenomena simultaneously at various length scales, descriptions in which matter can be coarse grained to arbitrary levels, are necessary. Attempts to do this in the static regime (i.e. zero temperature) have already been…

Materials Science · Physics 2009-11-07 Stefano Curtarolo , Gerbrand Ceder

Revealing statistics of H-defect interactions provides insights into significant ductility loss due to the particular strain partitioning in H-charged structural alloys. Experimental investigation of these interactions is extremely…

Materials Science · Physics 2025-01-22 Matthew J. Melfi , S. Mohadeseh Taheri-Mousavi

The standard way of modeling plasticity in polycrystals is by using the crystal plasticity model for single crystals in each grain, and imposing suitable traction and slip boundary conditions across grain boundaries. In this fashion, the…

Computational Physics · Physics 2017-06-07 Nikhil Chandra Admal , Giacomo Po , Jaime Marian

Materials containing a high proportion of grain boundaries offer significant potential for the development of radiation-resistent structural materials. However, a proper understanding of the connection between the radiation-induced…

Materials Science · Physics 2018-07-04 Yichao Zhu , Jing Luo , Xu Guo , Yang Xiang , Stephen Jonathan Chapman

Shear coupling implies that all grain boundary (GB) migration necessarily creates mechanical stresses/strains and is a key component to the evolution of all polycrystalline microstructures. We present MD simulation data and theoretical…

Materials Science · Physics 2020-11-04 Kongtao Chen , Jian Han , Spencer L. Thomas , David J. Srolovitz

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

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

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

In recent papers, we have argued that kinetically constrained coarse grained models can be applied to understand dynamic properties of glass forming materials, and we have used this approach in various applications that appear to validate…

Statistical Mechanics · Physics 2009-11-11 David Chandler , Juan P. Garrahan

A common strategy for reducing thermal conductivity of polycrystalline systems is to increase the number of grain boundaries. Indeed, grain boundaries enhance the probability of phonon scattering events, which has been applied to control…

Grain Boundaries (GB) whose energy is larger than twice the energy of the solid/liquid interface exhibit the premelting phenomenon, for which an atomically thin liquid layer develops at temperatures slightly below the bulk melting…

Computational Physics · Physics 2021-12-01 M. Torabi Rad , G. Boussinot , M. Apel

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

This review is a simplified summary of the thermodynamic dislocation theory, with special emphasis on the role of an effective temperature. Materials scientists, for decades, have asserted that statistical thermodynamics is not applicable…

Materials Science · Physics 2023-05-03 J. S. Langer

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

We study the mechanics and statistical physics of dislocations interacting on cylinders, motivated by the elongation of rod-shaped bacterial cell walls and cylindrical assemblies of colloidal particles subject to external stresses. The…

Soft Condensed Matter · Physics 2013-05-15 Ariel Amir , Jayson Paulose , David R. Nelson

The present paper extends the thermodynamic dislocation theory initiated by Langer, Bouchbinder and Lookman [2010] to non-uniform finite plastic deformations. The equations of motion are derived from the variational equation involving the…

Materials Science · Physics 2019-02-20 Khanh Chau Le
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