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Grain boundaries (GBs) are structural imperfections that typically degrade the performance of materials. Here we show that dislocations and GBs in two-dimensional (2D) metal dichalcogenides MX2 (M = Mo, W; X = S, Se) can actually improve…

材料科学 · 物理学 2013-08-21 Zhuhua Zhang , Xiaolong Zou , Vincent H. Crespi , Boris I. Yakobson

The recrystallized grain size and texture in alloys can be controlled via the microchemistry state during thermomechanical processing. The influence of concurrent precipitation on recovery and recrystallization is here analyzed by directly…

材料科学 · 物理学 2023-02-17 Håkon W. Ånes , Antonius T. J. van Helvoort , Knut Marthinsen

The mechanical properties of Mg-Al alloys are greatly influenced by the complex intermetallic phase Mg$_{17}$Al$_{12}$, which is the most dominant precipitate found in this alloy system. The interaction of basal edge and 30$^\text{o}$…

材料科学 · 物理学 2019-06-10 Aviral Vaid , Julien Guénolé , Aruna Prakash , Sandra Korte-Kerzel , Erik Bitzek

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…

材料科学 · 物理学 2021-12-21 Kolja Zoller , Szilvia Kalácska , Péter Dusán Ispánovity , Katrin Schulz

Owing to their non-planar cores 1/2<111> screw dislocations govern the plastic deformation of BCC metals. Atomistic studies of the glide of these dislocations at 0 K have been performed using Bond Order Potentials for molybdenum and…

材料科学 · 物理学 2008-07-18 R. Gröger , A. G. Bailey , V. Vitek

Atomistic simulations were utilized to obtain microscopic information of the elongation process in graphene sheets consisting of various embedded symmetric tilt grain boundaries (GBs). In contrast to pristine graphene, these GBs fractured…

介观与纳米尺度物理 · 物理学 2012-02-14 Young In Jhon , Pil Seung Chung , Robert Smith , Myung S. Jhon

In this paper we present a simple and effective numerical method which allows a fast Fourier transformation-based evaluation of stress generated by dislocations with arbitrary directions and Burgers vectors if the (site-dependent)…

材料科学 · 物理学 2018-04-06 D. V. Berkov , N. L. Gorn

We address a three-dimensional, coarse-grained description of dislocation networks at grain boundaries between rotated crystals. The so-called amplitude expansion of the phase-field crystal model is exploited with the aid of finite element…

材料科学 · 物理学 2018-05-31 Marco Salvalaglio , Rainer Backofen , K. R. Elder , Axel Voigt

Grain boundary diffusion in severely deformed Al-based AA5024 alloy is investigated. Different states are prepared by combination of equal channel angular processing and heat treatments, with the radioisotope $^{57}$Co being employed as a…

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…

材料科学 · 物理学 2026-05-27 Frederic Sansoz , Eve-Audrey Picard

This study investigates the behaviour of slip bands, terminated mid-grain in the ferrite grains of age-hardened stainless steel, under different conditions to understand their dislocation activity and response to varying loads. The full Nye…

材料科学 · 物理学 2025-02-27 Abdalrhaman Koko

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,…

材料科学 · 物理学 2025-06-06 Ian Chesser , Brandon Runnels , Elizabeth Holm

This study investigates the boundary migration mechanisms near the sample surface of recrystallizing grains in high-purity Al subjected to cryogenic rolling. Local strain and stress tensors were characterized during \textit{in situ}…

材料科学 · 物理学 2026-04-14 Yubin Zhang , Qiwei Shi , Guilin Wu

The microstructural evolution at and near pre-existing grain boundaries (GBs) and dislocations in materials under high radiation doses is still poorly understood. In this work, we use the creation relaxation algorithm (CRA) developed for…

As a central part of microstructure evolution, grain boundary (GB) migration is believed to be both monolithic and unidirectional. But here, we introduce the concept of GB decomposition: one GB separates into two new GBs by exerting…

材料科学 · 物理学 2025-09-11 Wei Wan , Junwen Deng , Changxin Tang

Solids with spatial variations in the crystalline axes naturally evolve into cells or grains separated by sharp walls. Such variations are mathematically described using the Nye dislocation density tensor. At high temperatures,…

材料科学 · 物理学 2009-11-11 Surachate Limkumnerd , James P. Sethna

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…

材料科学 · 物理学 2014-12-30 Anup Basak , Anurag Gupta

The traditional bulk-boundary correspondence assuring robust gapless modes at the edges and surfaces of insulating and nodal topological materials gets masked in non-Hermitian (NH) systems by the skin effect, manifesting an accumulation of…

介观与纳米尺度物理 · 物理学 2022-07-14 Archisman Panigrahi , Roderich Moessner , Bitan Roy

We present a systematic study of the effect of crack blunting on subsequent crack propagation and dislocation emission. We show that the stress intensity factor required to propagate the crack is increased as the crack is blunted by up to…

mtrl-th · 物理学 2009-10-30 J. Schiøtz , L. M. Canel , A. E. Carlsson

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…

介观与纳米尺度物理 · 物理学 2025-06-06 Daniel Bugas , Brandon Runnels