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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 are thermodynamically unstable. Hence, their properties should be path-dependent: grain boundaries in nanocrystals prepared using different methods might exhibit different properties. Using molecular dynamics simulations,…

Materials Science · Physics 2021-04-29 Hao Suna , Laurent Karim Béland

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

Nanocrystalline metals typically have high fatigue strengths, but low resistance to crack propagation. Amorphous intergranular films are disordered grain boundary complexions that have been shown to delay crack nucleation and slow crack…

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

The properties of polycrystalline materials are often dominated by the size of their grains and by the atomic structure of their grain boundaries. These effects should be especially pronounced in 2D materials, where even a line defect can…

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

Solute segregation is used to limit grain growth in nanocrystalline metals, but this stabilization often breaks down at high temperatures. Amorphous intergranular films can form in certain alloys at sufficiently high temperatures, providing…

Materials Science · Physics 2018-05-16 Jennifer D. Schuler , Olivia K. Donaldson , Timothy J. Rupert

A systematic investigation is presented of grain boundaries and grain boundary networks in two dimensional flexible membranes with crystalline order. An isolated grain boundary undergoes a buckling transition at a critical value of the…

Condensed Matter · Physics 2009-10-22 Carlo Carraro , David R. Nelson

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…

Many physical systems can be modeled as large sets of domains "glued" together along boundaries - biological cells meet along cell membranes, soap bubbles meet along thin films, countries meet along geopolitical boundaries, and metallic…

Materials Science · Physics 2015-12-30 Jeremy K. Mason , Emanuel A. Lazar , Robert D. MacPherson , David J. Srolovitz

Based on ab-initio simulations, we report on the nature of principally different mechanisms for interaction of Mg and Zn atoms with grain boundaries in Al alloys leading to different morphology of segregation. The Mg atoms segregate in…

Materials Science · Physics 2017-08-02 M. V. Petrik , A. R. Kuznetsov , N. Enikeev , Yu. N. Gornostyrev , R. Z. Valiev

The formation of helium cavities in coarse-grained materials produces hardening proportional to the number density and size of the cavities and due to the interaction of dislocations with intragranular helium defects. In nanostructured…

Materials Science · Physics 2023-03-28 W. S. Cunningham , Y. Zhang , S. L. Thomas , O. El-Atwani , Y. Wang , J. R. Trelewicz

The grain boundary-mediated mechanisms that control plastic deformation of nanocrystalline metals should cause evolution of the grain boundary network, since they directly alter misorientation relationships between crystals. Unfortunately,…

Materials Science · Physics 2016-07-21 Jason F. Panzarino , Timothy J. Rupert

Nanocrystalline (NC) materials are intrinsically unstable against grain growth. Significant research efforts have been dedicated to suppressing the grain growth by solute segregation, including the pursuit of a special NC structure that…

Materials Science · Physics 2024-12-09 Omar Hussein , Yuri Mishin

Nanocrystalline metals are promising radiation tolerant materials due to their large interfacial volume fraction, but irradiation-induced grain growth can eventually degrade any improvement in radiation tolerance. Therefore, methods to…

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

Amorphous grain-boundary (GB) complexions in thermally stable nanocrystalline alloys are commonly assumed to be structurally homogeneous, yet their disordered nature makes them susceptible to local short-range ordering (SRO). The influence…

Materials Science · Physics 2026-05-27 Frederic Sansoz , Eve-Audrey Picard

Refractory multi-principal element alloys exhibiting promising mechanical properties such as excellent strength retention at elevated temperatures have been attracting increasing attention. Although their inherent chemical complexity is…

Materials Science · Physics 2022-12-28 Ian Geiger , Jian Luo , Enrique J. Lavernia , Penghui Cao , Diran Apelian , Timothy J. Rupert

Tailoring the nanoscale distribution of chemical species at grain boundaries is a powerful method to dramatically influence the properties of polycrystalline materials. However, classical approaches to the problem have tacitly assumed that…

Materials Science · Physics 2024-11-11 Malik Wagih , Yannick Naunheim , Tianjiao Lei , Christopher A. Schuh