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Grain boundary chemistry plays a critical role for the properties of metals and alloys, yet there is a lack of consistent datasets for alloy design and development. With the advent of artificial intelligence and machine learning in…

Materials Science · Physics 2025-02-11 Nutth Tuchinda , Gregory B. Olson , Christopher A. Schuh

Controlling the microstructure of thin films is of critical importance for various applications. We demonstrate a methodology for tuning the local microstructure through film-substrate interactions using Ag-Cu as a model system. Metastable…

Materials Science · Physics 2026-04-29 Vivek C. Peddiraju , Shourya Dutta-Gupta , Subhradeep Chatterjee

Graphene grain boundaries are known to affect phonon transport and thermal conductivity, suggesting that they may be used to engineer the phononic properties of graphene. Here, the effect of two buckled grain boundaries on long-wavelength…

Mesoscale and Nanoscale Physics · Physics 2015-06-11 Edit E. Helgee , Andreas Isacsson

This study delves into the complex mechanisms of defect production and accumulation in nanocrystalline tungsten under irradiation, with a particular focus on the interplay between grain boundaries and free surfaces. Through molecular…

Materials Science · Physics 2024-03-20 Yang Zhang , Predrag Krstic , Jason R. Trelewicz

In the framework of the suggested in [arxiv:1803.08247 [cond-mat.mtrl-sci]] statistical theory of the equilibrium flow stress, including yield strength, ${\sigma}_y$, of polycrystalline materials under quasi-static (in case of tensile…

Materials Science · Physics 2020-01-01 Alexander A. Reshetnyak

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

The plastic deformation of metal alloys localizes in the Portevin--Le Chatelier effect in bands of different types, including propagating, or type 'A' bands, usually characterised by their width and a typical propagation velocity. This…

Statistical Mechanics · Physics 2020-10-27 Tero Mäkinen , Pasi Karppinen , Markus Ovaska , Lasse Laurson , Mikko J. Alava

Difference dilatometry and differential scanning calorimetry (DSC) are used to investigate defect annealing in ultrafine grained nickel processed by equal channel angular pressing (ECAP) at various temperatures. Different defect types and…

We have revealed the decisive role of grain-boundary-induced strain fields in electron scattering in polycrystalline graphene. To this end, we have formulated the model based on Boltzmann transport theory which properly takes into account…

Materials Science · Physics 2022-05-24 S. E. Krasavin , V. A. Osipov

A correlative approach is employed to simultaneously assess structure and chemistry of (carbide and boride) precipitates in a set of novel Co/Ni-base superalloys. Structure is derived from electron backscatter diffraction (EBSD) with…

Grain boundary wetting as a preliminary stage for zinc induced grain boundary weakening and embrittlement in a Zn coated press hardened 20MnB8 steel was analyzed by means of electron backscatter diffraction, Auger electron spectroscopy,…

Ion transport in solid-state devices is of great interest for current and future energy and information technologies. A superior enhancement of several orders of magnitude of the oxygen diffusivity has been recently reported for grain…

Segregated impurities at grain boundaries can dramatically change the mechanical behavior of metals, while the mechanism is still obscure in some cases. Here, we suggest an unified approach to investigate segregation and its effects on the…

Materials Science · Physics 2017-12-20 Yunguo Li , Pavel Korzhavyi , Rolf Sandström , Christina Lilja

Nanocrystalline metals, i.e. metals in which the grain size is in the nanometer range, have a range of technologically interesting properties including increased hardness and yield strength. We present atomic-scale simulations of the…

Materials Science · Physics 2007-05-23 J. Schiøtz , T. Vegge , F. D. Di Tolla , K. W. Jacobsen

Grain boundary (GB) segregation is a powerful approach for optimizing the thermal and mechanical properties of metal alloys. In this study, we report significant GB interstitial segregation in a representative substitutional binary alloy…

Materials Science · Physics 2025-05-27 Zuoyong Zhang , Chuang Deng

We report ultrafast transient-grating experiments on heavily p-type InP at 15 K. Our measurement reveals the dynamics and diffusion of photoexcited electrons and holes as a function of their density n in the range 2E16 to 6E17 cm-3. After…

Materials Science · Physics 2015-06-15 C. P. Weber , Eric A. Kittlaus

Solute segregation in alloys is a key phenomenon which affects various material characteristics such as embrittlement, grain growth and precipitation kinetics. In this work, the segregation energies of Y, Zr, and Nb to a \textgreek{S}5…

Materials Science · Physics 2025-03-06 Hariharan Umashankar , Daniel Scheiber , Vsevolod I. Razumovskiy , Matthias Militzer

Orientation effects on the resistivity of copper grain boundaries are studied systematically with two different atomistic tight binding methods. A methodology is developed to model the resistivity of grain boundaries using the Embedded Atom…

This work demonstrates the development of a strong and ductile medium entropy alloy by employing conventional alloying and thermomechanical processing to induce partial recrystallization (PR) and precipitation strengthening in the…

Materials Science · Physics 2021-09-29 Nithin Baler , Abdulla Samin M , Akshat Godha , Surendra Kumar Makineni

The interplay between the diffusion-controlled dynamics of a solidification front and the trajectory of a grain boundary groove at the solid-liquid interface is studied by means of thin-sample directional solidification experiments of a…

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