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Grain boundary segregations were investigated by Atom Probe Tomography in an Al-Mg alloy, a carbon steel and Armco\trademark Fe processed by severe plastic deformation (SPD). In the non-deformed state, the GBs of the aluminium alloy are Mg…

Materials Science · Physics 2012-11-22 Xavier Sauvage , Artur Ganeev , Yulia Ivanisenko , Nariman Enikeev , Maxim Murashkin , R. Z. Valiev

Computing the grain boundary (GB) counterparts to bulk phase diagrams represents an emerging research direction. Using a classical embrittlement model system Ga-doped Al alloy, this study demonstrates the feasibility of computing…

Materials Science · Physics 2022-01-20 Chongze Hu , Yanwen Li , Zhiyang Yu , Jian Luo

Phase transformations in metallic grain boundaries (GBs) present significant fundamental interest in the context of thermodynamics of low-dimensional physical systems. We report on atomistic computer simulations of the Cu-Ag system that…

Materials Science · Physics 2015-07-01 Timofey Frolov , Mark Asta , Yuri Mishin

We describe an optical scattering study of grain boundary premelting in water ice. Ubiquitous long ranged attractive polarization forces act to suppress grain boundary melting whereas repulsive forces originating in screened Coulomb…

Materials Science · Physics 2013-05-23 E. S. Thomson , Hendrik Hansen-Goos , L. A. Wilen , J. S. Wettlaufer

Grain rotation and grain boundary (GB) sliding are two important mechanisms for grain coarsening and plastic deformation in nanocrystalline materials. They are in general coupled with GB migration and the resulting dynamics, driven by…

Materials Science · Physics 2014-12-30 Anup Basak , Anurag Gupta

Hydrogen-enhanced decohesion (HEDE) is one of the many mechanisms of hydrogen embrittlement, a phenomenon that severely impacts structural materials such as iron and iron alloys. Grain boundaries (GBs) play a critical role in this…

Materials Science · Physics 2024-07-03 Abril Azócar Guzmán , Rebecca Janisch

At very fine grain sizes, grain boundary segregation can deviate from conventional behavior due to triple junction effects. While this issue has been addressed in prior work for substitutional alloys, here we develop a framework that…

Materials Science · Physics 2024-11-28 Nutth Tuchinda , Malik Wagih , Christopher A. Schuh

Abnormal grain growth (AGG) influences the properties of polycrystalline materials; however, the underlying mechanisms, particularly the role of solute segregation at the grain boundary (GB), are difficult to quantify precisely. This study…

Materials Science · Physics 2025-12-29 Albert Linda , Rajdip Mukherjee , Somnath Bhowmick

Microstructural evolution in structural materials is known to occur in response to mechanical loading and can often accommodate substantial plastic deformation through the coupled motion of grain boundaries (GBs). This can produce desirable…

Mesoscale and Nanoscale Physics · Physics 2025-06-06 Daniel Bugas , Brandon Runnels

Do high-entropy alloys and ceramics have their grain boundary (GB) counterparts? As the concept of high-entropy grain boundaries (HEGBs) was initially proposed in 2016, this article provides the first complete and rigorous discussion of the…

Materials Science · Physics 2022-09-05 Jian Luo , Naixie Zhou

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 derive a theory that describes homogeneous nucleation of grain boundary (GB) phases. Our analysis takes account of the energy resulting from the GB phase junction, the line defect separating two different GB structures, which is…

Materials Science · Physics 2022-02-02 Ian S. Winter , Robert E. Rudd , Tomas Oppelstrup , Timofey Frolov

Previous research focused on two different mechanisms of microstructure stabilization in alloys: thermodynamic stabilization by reducing the grain boundary (GB) free energy and kinetic stabilization by suppressing the GB mobility by solute…

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

Mg alloys are promising lightweight structural materials due to their low density and excellent mechanical properties. However, their limited formability and ductility necessitate improvements in these properties, specifically through…

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 boundaries (GBs) trigger structure-specific chemical segregation of solute atoms. According to the three-dimensional (3D) topology of grains, GBs - although defined as planar defects - cannot be free of curvature. This implies…

We consider pattern formation in a sheared dense mixture of cohesive and non-cohesive grains. Our findings show that cohesive grains, which would typically form distributed agglomerates, instead segregate into percolating stripes or layers…

Soft Condensed Matter · Physics 2025-08-01 Khushi Mahajan , Chamkor Singh

Grain boundary engineering via dopant segregation can dramatically change the properties of a material. For metallic systems, most current studies concerning interfacial segregation and subsequent transitions of grain boundary structure are…

Materials Science · Physics 2018-12-26 Yang Hu , Timothy J. Rupert

The grain boundary (GB) energy has a profound influence on the grain growth and properties of polycrystalline metals. Here, we show that the energy of a GB, normalized by the bulk cohesive energy, can be described purely by four geometric…

Materials Science · Physics 2022-01-31 Weike Ye , Hui Zheng , Chi Chen , Shyue Ping Ong

While it is known that alloy components can segregate to grain boundaries (GBs), and that the atomic mobility in GBs greatly exceeds the atomic mobility in the lattice, little is known about the effect of GB segregation on GB diffusion.…

Materials Science · Physics 2020-08-17 R. K. Koju , Y. Mishin