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Related papers: Thermodynamic theory of dislocation/grain boundary…

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We modify a theory of flow stress introduced in [arXiv:1803.08247[cond-mat.mtrl-sci]], [arXiv:1809.03628[cond-mat.mes-hall]], [arXiv:1908.09338[cond-mat.mtrl-sci]] for a class of polycrystalline materials with equilibrium and…

Materials Science · Physics 2023-09-18 Alexander A. Reshetnyak , Varvara V. Shamshutdinova

We investigate the depinning transition occurring in dislocation assemblies. In particular, we consider the cases of regularly spaced pileups and low angle grain boundaries interacting with a disordered stress landscape provided by solute…

Statistical Mechanics · Physics 2009-11-10 Paolo Moretti , M. -Carmen Miguel , Michael Zaiser , Stefano Zapperi

Based on the formula for the number density of vacancies in a solid under the stress or tension, the model of grain boundary diffusion in crystalline solids is developed. We obtain the activation energy of grain boundary diffusion…

Statistical Mechanics · Physics 2007-05-23 Fedor V. Prigara

Models of grain boundary energy are essential for predicting the behavior of polycrystalline materials. Typical models represent the minimum boundary energy as a function of macroscopic boundary parameters. An energy model may allow for…

Materials Science · Physics 2025-10-21 Adam Morawiec

Grain boundary networks should play a dominant role in determining the mechanical properties of nanocrystalline metals. However, these networks are difficult to characterize and their response to deformation is incompletely understood. In…

Materials Science · Physics 2020-01-17 David B. Bober , Mukul Kumar , Timothy J. Rupert

Many technologically useful materials are polycrystals composed of a myriad of small monocrystalline grains separated by grain boundaries. Dynamics of grain boundaries play an essential role in defining the materials properties across…

Analysis of PDEs · Mathematics 2020-08-31 Yekaterina Epshteyn , Chun Liu , Masashi Mizuno

We apply self consistent field theory to twist grain boundaries of block copolymer melts. The distribution of monomers throughout the grain boundary is obtained as well as the grain boundary free energy per unit area as a function of twist…

Soft Condensed Matter · Physics 2009-10-31 Daniel Duque , Michael Schick

Grain boundaries (GBs) are central defects for describing polycrystalline materials, and playing major role in a wide-range of physical properties of polycrystals. Control over GB kinetics provides effective means to tailor polycrystal…

Materials Science · Physics 2018-10-10 Jian Han , Spencer L. Thomas , David J. Srolovitz

Polycrystalline materials can be viewed as composites of crystalline particles or grains separated from one another by thin amorphous grain boundary (GB) regions. While GB have been exhaustively investigated at low temperatures, where these…

Materials Science · Physics 2015-05-13 Hao Zhang , David J. Srolovitz , Jack F. Douglas* , James A. Warren

High energy x-ray diffraction microscopy was used to image the microstructure of $\alpha$-Fe before and after a 600 $^\circ$C anneal. These data were used to determine the areas, curvatures, energies, and velocities of approximately 40,000…

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

Dislocation-interface interactions dictate the mechanical properties of polycrystalline materials through dislocation absorption, emission and reflection and interface sliding. We derive a mesoscale interface boundary condition to describe…

Materials Science · Physics 2023-06-19 Jinxin Yu , Alfonso H. W. Ngan , David J. Srolovitz , Jian Han

Grain boundaries are commonly observed in carbon nanostructures, but their influence on thermal and electric properties are still not completely understood. Using a combined approach of density functional tight-binding theory and…

Materials Science · Physics 2015-06-30 Thomas Lehmann , Dmitry A. Ryndyk , Gianaurelio Cuniberti

In light of the race towards macroscale superlubricity of graphitic contacts, the effect of grain boundaries on their frictional properties becomes of central importance. Here, we elucidate the unique frictional mechanisms characterizing…

Mesoscale and Nanoscale Physics · Physics 2020-08-04 Xiang Gao , Wengen Ouyang , Oded Hod , Michael Urbakh

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

Grain boundaries (GBs) merge and grains disappear during microstructure evolution. However, the Peach-Koehler model predicts that particular stress states may reverse such a process by exerting differential Peach-Koehler forces on different…

Materials Science · Physics 2025-09-04 Wei Wan , Changxin Tang , Eric R Homer

In this work we derive conditions that predict the existence of two-phase periodic-pattern grain boundary structures that are stable against coarsening. While previous research has established that elastic effects can lead to phase pattern…

Materials Science · Physics 2023-12-14 Ian S. Winter , Timofey Frolov

Thermal stability of nanocrystalline multilayer thin film is of paramount importance as the applications often involve high temperature. Here we report on the layer instability phenomenon in binary polycrystalline thin film initiating from…

Materials Science · Physics 2017-10-10 Tamoghna Chakrabarti , Nisha Verma , Sukriti Manna

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…

Materials Science · Physics 2022-01-03 Brendon Waters , Zhi-Feng Huang

The structure and evolution of grain boundaries underlies the nature of polycrystalline materials. Here we describe an experimental apparatus and light reflection technique for measuring disorder at grain boundaries in optically clear…

Materials Science · Physics 2009-10-27 E. S. Thomson , J. S. Wettlaufer , L. A. Wilen