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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,…

Materials Science · Physics 2024-07-08 Swetha Pemma , Rebecca Janisch , Gerhard Dehm , Tobias Brink

We propose a model of a polycrystalline alloy combining the Potts model for grain orientations with a lattice-gas model for solute thermodynamics and diffusion. The alloy evolution with this model is implemented by kinetic Monte Carlo…

Materials Science · Physics 2026-02-12 Omar Hussein , Yuri Mishin

Grain boundaries (GBs) govern critical properties of polycrystals. Although significant advancements have been made in characterizing minimum energy GBs, real GBs are seldom found in such states, making it challenging to establish…

Materials Science · Physics 2025-01-22 Avanish Mishra , Sumit A. Suresh , Saryu J. Fensin , Nithin Mathew , Edward M. Kober

Four different finite element level-set (FE-LS) formulations are compared for the modeling of grain growth in the context of polycrystalline structures and, moreover, two of them are presented for the first time using anisotropic grain…

Materials Science · Physics 2021-08-04 Brayan Murgas , Sebastian Florez , Nathalie Bozzolo , Julien Fausty , Marc Bernacki

In an in-situ prepared three-terminal Josephson junction based on the topological insulator Bi$_4$Te$_3$ and the superconductor Nb the transport properties are studied. The differential resistance maps as a function of two bias currents…

We develop a model for sheared gouge layers that accounts for the local increase in temperature at the grain contacts during sliding. We use the shear transformation zone (STZ) theory, a statistical thermodynamic theory, to describe…

Materials Science · Physics 2015-06-18 Ahmed E. Elbanna , Jean M. Carlson

Some remarkable generic properties, related to isostaticity and potential energy minimization, of equilibrium configurations of assemblies of rigid, frictionless grains are studied. Isostaticity -the uniqueness of the forces, once the list…

Soft Condensed Matter · Physics 2009-10-31 Jean-Noel Roux

Synthetic driving force molecular dynamics simulations were utilized to survey grain boundary mobility in three classes of incoherent {\Sigma}3 twin boundaries: <112>, <110>, and <111> tilt boundaries. These boundaries are faceted on low…

Materials Science · Physics 2017-04-12 Jonathan Humberson , Elizabeth A. Holm

Grain boundary (GB) migration governs microstructure evolution and can mediate plastic deformation through sliding or shear coupling. Numerous experimental and numerical studies have reported a wide range of behaviors associated with…

Materials Science · Physics 2026-02-03 Brandon Runnels

Many systems where a liquid metal is in contact with a polycrystalline solid exhibit deep liquid grooves where the grain boundary meets the solid-liquid interface. For example, liquid Ga quickly penetrates deep into grain boundaries in Al,…

Materials Science · Physics 2009-11-13 Ho-Seok Nam , D. J. Srolovitz

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

Grain growth in polycrystals is traditionally considered a capillarity-driven process, where grain boundaries (GBs) migrate toward their centers of curvature (i.e., mean curvature flow) with a velocity proportional to the local curvature…

Materials Science · Physics 2025-09-12 Caihao Qiu , David J. Srolovitz , Gregory S. Rohrer , Jian Han , Marco Salvalaglio

We have analysed the influence of the microstructural features, such as intergranular grain boundary (GB) phases and misalignment of the hard magnetic grains, on the optimization of magnetization reversal processes in order to improve the…

Materials Science · Physics 2015-10-09 Gregor A. Zickler , Peter Toson , Ahmad Asali , Josef Fidler

We present the results of a computer simulation of the atomic structures of large-angle symmetrical tilt grain boundaries (GBs) $\Sigma 5$ (misorientation angles $\q{36.87}{^{\circ}}$ and $\q{53.13}{^{\circ}}$), $\Sigma 13$ (misorientation…

Superconductivity · Physics 2009-11-07 V. S. Boyko , A. M. Levine

We design, fabricate and test heterogeneous architected polycrystals, composed of hard plastomers and soft elastomers, which thus show outstanding mechanical resilience and energy dissipation simultaneously. Grain boundaries that separate…

Soft Condensed Matter · Physics 2025-04-15 Seunghwan Lee , Hansohl Cho

Modeling deformation twin nucleation in magnesium has proven to be a challenging task. In particular, the absence of a heterogeneous twin nucleation model which provides accurate energetic descriptions for twin-related structures belies a…

Materials Science · Physics 2025-10-14 Enver Kapan , Sertan Alkan , C. Can Aydıner , Jeremy K. Mason

Dynamic shear banding under adiabatic conditions in a mesoscale polycrystalline aggregate is studied using a model of mesoscale dislocation mechanics and experiments. The model involves a length scale related to hardening induced by…

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

Continuum models of dislocation plasticity require constitutive closure assumptions, e.g., by relating details of the dislocation microstructure to energy densities. Currently, there is no systematic way for deriving or extracting such…

Materials Science · Physics 2021-05-26 Hengxu Song , Nina Gunkelmann , Giacomo Po , Stefan Sandfeld

Cohesive laws are stress-strain curves used in finite element calculations to describe the debonding of interfaces such as grain boundaries. It would be convenient to describe grain boundary cohesive laws as a function of the parameters…

Materials Science · Physics 2009-11-13 Valerie R. Coffman , James P. Sethna
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