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Most metallic and ceramic materials are comprised of a space-filling collection of crystalline grains separated by grain boundaries. While this grain structure has been studied for more than a century, there few rigorous results regarding…

Materials Science · Physics 2021-10-29 Erdem Eren , Jeremy Kyle Mason

X-ray nanodiffraction is applied to study the formation and correlation of domain boundaries in mesocrystalline superlattices of PbS nanocrystals with face-centered cubic structure. Each domain of the superlattice can be described with one…

Two finite element level-set (FE-LS) formulations are compared for the modeling of grain growth of 316L stainless steel in terms of grain size, mean values and histograms. Two kinds of microstructures are considered, some are generated…

Materials Science · Physics 2022-04-06 Brayan Murgas , Baptiste Flipon , Nathalie Bozzolo , Marc Bernacki

We present a detailed numerical study on structure and local magnetic properties of $\langle 100 \rangle$ symmetric tilt grain boundaries in bcc-iron. Particular attention is paid to connection between type of grain boundary relaxation and…

Materials Science · Physics 2017-02-13 E. Vitkovská , P. Ballo

The sharp growth of the fracture toughness after brittle-ductile transition happens at grain sizes approximately equal to the plastic zone size. Here we analyze the influence of the grain boundary on the evolution of the ensemble of…

Materials Science · Physics 2025-07-22 K. M. Borysovska , N. M. Marchenko , Yu. Koval , Yu. N. Podrezov , S. A. Firstov

Oriented attachment (OA) has become a well-recognized mechanism for the growth of metal, ceramic, and biomineral crystals. While many computational and experimental studies of OA have shown that particles can attach with some misorientation…

Materials Science · Physics 2020-04-09 Andrew P. Lange , Amit Samanta , Tammy Y. Olson , Selim Elhadj

The segregation of solute atoms to grain boundaries can have a large influence on the mechanical behavior of polycrystals, particularly in metallic alloys. An overview of 400 calculations of solute-induced changes in grain boundary cohesion…

Materials Science · Physics 2016-01-11 Michael A. Gibson , Christopher A Schuh

Grain boundary embrittlement occurs when a solute enriches at a grain boundary and lowers its cohesive energy. While grain boundary enrichment is often attributed to equilibrium segregation effects, most models of embrittlement consider…

Materials Science · Physics 2015-08-18 Michael A. Gibson , Christopher A. Schuh

Grain alignment theory suggests that grains should be aligned in circumstellar regions and the observational data available supports this conclusion. We discuss the alignment of grains via (1) magnetic relaxation, (2) mechanical processes,…

Astrophysics · Physics 2007-05-23 Lazarian A

Grain boundaries in ultrafine grained (UFG) materials processed by severe plastic deformation (SPD) are often called "non-equilibrium" grain boundaries. Such boundaries are characterized by excess grain boundary energy, presence of long…

Materials Science · Physics 2012-03-30 Xavier Sauvage , Gerhard Wilde , Sergiy Divinski , Zenji Horita , Ruslan Valiev

Earlier studies of grain alignment dealt mostly with interstellar grains that have strong internal relaxation of energy which aligns grain axis of maximum moment of inertia with respect to grain's angular momentum. In this paper, we study…

Astrophysics · Physics 2010-01-15 Thiem Hoang , Alex Lazarian

In polycrystalline materials, grain boundaries are sites of enhanced atomic motion, but the complexity of the atomic structures within a grain boundary network makes it difficult to link the structure and atomic dynamics. Here we use a…

Specimen- and grain-size effects on nanoscale plastic deformation mechanisms and mechanical properties of polycrystalline yttria-stabilized tetragonal zirconia (YSTZ) nanopillars are studied by molecular dynamics simulations. Through…

Materials Science · Physics 2019-05-02 Ning Zhang , Mohsen Asle Zaeem

The macroscopic behavior of polycrystalline materials is influenced by the local variation of properties caused by the presence of impurities and defects. The effect of these impurities at the atomic scale can either embrittle or strengthen…

Materials Science · Physics 2014-01-23 M. Rajagopalan , M. A. Tschopp , K. N. Solanki

Grain-boundary grooving is a general phenomenon occurring in all polycrystalline materials at the intersection between the grain-boundary and the interface or free surface. It has been studied theoretically for some time. Grain-boundary…

Materials Science · Physics 2007-05-23 Mathieu Bouville

We study kinetic theories for isotropic, two-dimensional grain boundary networks which evolve by curvature flow. The number densities $f_s(x,t)$ for $s$-sided grains, $s =1,2,\ldots$, of area $x$ at time $t$, are modeled by kinetic…

Analysis of PDEs · Mathematics 2021-03-23 Joe Klobusicky , Govind Menon , Robert L. Pego

The local variation of grain boundary atomic structure and chemistry caused by segregation of impurities influences the macroscopic properties of poylcrystalline materials. Here, the effect of co-segregation of carbon and boron on the…

Grain boundary sliding is typically associated with high temperature deformation in engineering alloys. Here, we examine grain boundary sliding at room temperature in oxygen-free high-conductivity copper under quasi-static tensile testing.…

Materials Science · Physics 2026-04-30 Benjamin Poole , David Lunt , Luke Hewitt , Chris Hardie

A recent report on successful employment of the grain boundary strengthening to design extraordinarily damage-tolerant architected materials (i.e. meta-crystals) necessitates fundamental studies to understand the underlying mechanisms…

Materials Science · Physics 2020-11-05 Chen Liu , Jedsada Lertthanasarn , Minh-Son Pham

Plastic deformation in polycrystals is governed by the interplay between intra-granular slip and grain boundary-mediated plasticity. However, while the role played by bulk dislocations is relatively well-understood, the contribution of…

Materials Science · Physics 2017-10-02 Nikhil Chandra Admal , Giacomo Po , Jaime Marian