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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

The mechanisms that govern a previously unexplained hardening effect of a single phase Cu-30wt%Zn {\alpha}-brass after heating have been investigated. After cold-work, the alloy possesses an increased yield strength and hardening rate only…

Dislocations, line defects in crystalline materials, play an essential role in the mechanical[1,2], electrical[3], optical[4], thermal[5], and phase transition[6] properties of these materials. Dislocation motion, an important mechanism…

Materials Science · Physics 2023-07-04 Mingqiang Li , Yidi Shen , Kun Luo , Qi An , Peng Gao , Penghao Xiao , Yu Zou

The plastic deformation mechanisms of tungsten carbide at room and elevated temperatures influence the wear and fracture properties of WC-Co hardmetal composite materials. The relationship between residual defect structures, including…

Materials Science · Physics 2021-11-05 Vivian Tong , Helen Jones , Ken Mingard

Lead-free Ba0.9Sr0.1Ti0.9Sn0.1O3 (BSTSn) ceramic was prepared by the sol gel method. X-ray diffraction measurement at room temperature reveals the single-phase formation with tetragonal structure refined in the P4mm space group. Raman…

Materials Science · Physics 2023-06-13 S. Khardazi , H. Zaitouni , B. Asbani , D. Mezzane , M. Amjoud , E. Choukri , S. Terenchuk , A. Erramli , Y. Gagou

Grain boundary (GB) migration governs microstructure evolution and can mediate plastic deformation through sliding or shear coupling. Numerous experimental and numerical studies have reported a wide range of behaviors associated with…

Materials Science · Physics 2026-02-03 Brandon Runnels

Grain boundaries (GBs) can be treated as two-dimensional (2-D) interfacial phases (also called 'complexions') that can undergo interfacial phase-like transitions. As bulk phase diagrams and calculation of phase diagram (CALPHAD) methods are…

Materials Science · Physics 2022-09-05 Jian Luo

Degradation of mechanical properties of zirconia polycrystals is hardly discussed in terms of solution-precipitation grain-boundary sliding due to experimental controversies over imaging of intergranular amorphous phases at high and room…

Materials Science · Physics 2009-11-13 M. Daraktchiev , R. Schaller , L. Gremillard , T. Epicier , J. Chevalier , G. Fantozzi

Three-dimensional X-ray diffraction (3DXRD) has been used to measure, in-situ, the evolution of $\sim 1800$ grains in a single phase low carbon ferritic steel sample during uniaxial deformation. The distribution of initial residual grain…

Segregation to defects, in particular to grain boundaries (GBs), is an unavoidable phenomenon leading to changed material behavior over time. With the increase of available computational power, unbiased quantum-mechanical predictions of…

Materials Science · Physics 2025-05-22 Dominik Gehringer , Lorenz Romaner , David Holec

Grain boundaries (GBs) are ubiquitous defects in crystalline materials. However, they remain less explored in block copolymer ordered phases. Here, we develop a self-consistent field theory framework to investigate GB structure and…

Soft Condensed Matter · Physics 2026-05-27 Jing Chen , Aiping Zhu , Dan Wei , An-Chang Shi , Kai Jiang

In established theories of grain coarsening, grains disappear either by shrinking or by rotating as a rigid object to coalesce with an adjacent grain. Here we report a third mechanism for grain coarsening, in which a grain splits apart into…

Grain boundary (GB) mobility has been conventionally computed as a single value; however, a recent study has suggested that GB mobility should be expressed as a tensor. In this work, by using atomistic simulations, the concept of GB…

Materials Science · Physics 2022-12-23 Xinyuan Song , Liang Yang , Chuang Deng

The gradient crystal plasticity framework of Wulfinghoff et al. [53] incorporating an equivalent plastic strain and grain boundary yielding, is extended with additional grain boundary hardening. By comparison to averaged results from many…

Computational Physics · Physics 2015-12-18 E. Bayerschen , M. Stricker , S. Wulfinghoff , D. Weygand , T. Böhlke

Grain boundary roughness can affect electronic and mechanical properties of two-dimensional materials. This roughness depends crucially on the growth process by which the two-dimensional material is formed. To investigate the key mechanisms…

Materials Science · Physics 2022-04-06 Fabio D. A. Aarão Reis , Bastien Marguet , Olivier Pierre-Louis

With decreasing system sizes, the mechanical properties and dominant deformation mechanisms of metals change. For larger scales, bulk behavior is observed that is characterized by a preservation and significant increase of dislocation…

Materials Science · Physics 2021-12-21 Kolja Zoller , Szilvia Kalácska , Péter Dusán Ispánovity , Katrin Schulz

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

Molybdenum disulfide (MoS2) is a particularly interesting member of the family of two-dimensional (2D) materials due to its semiconducting and tunable electronic properties. Currently, the most reliable method for obtaining high-quality…

Grain boundaries (GBs) in metals usually increase electrical resistivity due to their distinct atomic arrangement compared to the grain interior. While the GB structure has a crucial influence on the electrical properties, its relationship…

Materials Science · Physics 2022-01-19 Hanna Bishara , Subin Lee , Tobias Brink , Matteo Ghidelli , Gerhard Dehm

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