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A continuum theory based on thermodynamics has been developed for modeling diffusional creep of polycrystalline solids. It consists of a coupled problem of vacancy diffusion and mechanics where the vacancy generation/absorption at grain…

材料科学 · 物理学 2019-11-18 M. Magri , G. Lemoine , L. Adam , J. Segurado

Solute segregation plays an important role in formation of long-period stacking ordered (LPSO) structure in Mg-M-RE (M: Zn, Ni etc., RE: Y, Gd, etc.) alloy systems. In this work, the planar segregation in Mg-Al-Gd alloy is characterized by…

材料科学 · 物理学 2018-03-01 Xin-Fu Gu , Tadashi Furuhara , Leng Chen , Ping Yang

We report two-dimensional discrete dislocation dynamics simulations of combined dislocation glide and climb leading to `power-law' creep in a model aluminum crystal. The approach fully accounts for matter transport due to vacancy diffusion…

介观与纳米尺度物理 · 物理学 2017-12-27 Shyam M. Keralavarma , Tahir Cagin , Tom Arsenlis , A. Amine Benzerga

The exceptional combination of strength and ductility in multi-component alloys is often attributed to the interaction of dislocations with the various solute atoms in the alloy. To study these effects on the mechanical properties of such…

材料科学 · 物理学 2021-09-16 Markus Sudmanns , Jaafar A. El-Awady

Dislocation climb plays an important role in understanding plastic deformation of metallic materials at high temperature. In this paper, we present a continuum formulation for dislocation climb velocity based on densities of dislocations.…

材料科学 · 物理学 2023-08-15 Chutian Huang , Shuyang Dai , Xiaohua Niu , Tianpeng Jiang , Zhijian Yang , Yejun Gu , Yang Xiang

The effect of Mg $\delta$-doping on the structural, electrical and optical properties of GaN grown $\textsl{via}$ metalorganic vapor phase epitaxy has been studied using transmission electron microscopy, secondary ion mass spectroscopy,…

An in-situ neutron diffraction investigation of the annealing and healing of dislocations in the bulk Pd-D2 system was carried out. Lattice misfit between the alpha and beta hydride phases produces dislocations during the phase transition…

材料科学 · 物理学 2022-05-02 T. A. Webb , C. J. Webb , E. MacA. Gray

In general, the cross-slip of superdislocations (a/2<011>) from {111} planes to {001} planes has been frequently observed in superalloys, accompanied by the formation of an antiphase boundary (APB) and driven by thermal activation. However,…

材料科学 · 物理学 2025-08-26 Zhida Liang , Fengxian Liu , Xin Liu , Yang Li , Yinan Cui , Florian Pyczak

Sapphire and rubies (undoped and Cr-doped $\alpha$-Al$_2$O$_3$ single crystals) have been deformed in compression at temperatures lower than those previously used in studies of dislocations in the basal slip plane (see part I). Above…

Al(110) has been studied for temperatures up to 900 K via ensemble density-functional molecular dynamics. The strong anharmonicity displayed by this surface results in a negative coefficient of thermal expansion, where the first interlayer…

材料科学 · 物理学 2009-10-31 Nicola Marzari , David Vanderbilt , Alessandro De Vita , M. C. Payne

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

Under plastic flow, multi-element high/medium-entropy alloys (HEAs/MEAs) commonly exhibit complex intermittent and collective dislocation dynamics owing to inherent lattice distortion and atomic-level chemical complexities. Using atomistic…

材料科学 · 物理学 2023-10-09 Kamran Karimi , Amin Esfandiarpour , Stefanos Papanikolaou

A novel semidiscrete Peierls-Nabarro model is introduced which can be used to study dislocation spreading at more than one slip planes, such as dislocation cross-slip and junctions. The strength of the model, when combined with ab initio…

材料科学 · 物理学 2009-11-07 Gang Lu , Vasily V. Bulatov , Nicholas Kioussis

Smectic liquid crystals are charcterized by layers that have a preferred uniform spacing and vanishing curvature in their ground state. Dislocations in the smectics play an important role in phase nucleation, layer reorientation, and…

软凝聚态物质 · 物理学 2017-06-28 Hillel Aharoni , Thomas Machon , Randall D. Kamien

Atomic crystals with dislocations deform plastically at low stresses via dislocation glide. Whether dislocation glide occurs in macroscopic frictional granular media has remained unknown. The discrete element method is employed to simulate…

材料科学 · 物理学 2026-05-26 Fumiaki Nakai , Takashi Uneyama , Yuto Sasaki , Kiwamu Yoshii , Hiroaki Katsuragi

Dislocations are a central concept in materials science, which dictate the plastic deformation and damage evolution in materials. Layered materials such as graphite admit two general types of interlayer dislocations: basal and prismatic…

In this paper, we explore osmotic transport by means of molecular dynamics (MD) simulations. We first consider osmosis through a membrane, and investigate the reflection coefficient of an imperfectly semi-permeable membrane, in the dilute…

介观与纳米尺度物理 · 物理学 2017-05-18 Hiroaki Yoshida , Sophie Marbach , Lydéric Bocquet

Plasticity in hexagonal close-packed zirconium is mainly controlled by the glide of dislocations with 1/3<1-210> Burgers vectors. As these dislocations cannot accommodate deformation in the [0001] direction , twinning or glide of <c+a>…

材料科学 · 物理学 2020-09-07 Thomas Soyez , Daniel Caillard , Fabien Onimus , Emmanuel Clouet

Based on a hopping model we show how the mixed alkali effect in glasses can be understood if only a small fraction c_V ofthe available sites for the mobile ions is vacant. In particular, we reproduce the peculiar behavior of the internal…

材料科学 · 物理学 2009-11-11 Robby Peibst , Stephan Schott , Philipp Maass

Using Monte Carlo simulations we investigate some new aspects of the phase diagram and the behavior of the diffusion coefficient in an associating lattice gas (ALG) model on different regions of the phase diagram. The ALG model combines a…

软凝聚态物质 · 物理学 2015-05-13 Marcia M. Szortyka , Vera Henriques , Mauricio Girardi , Marcia C. Barbosa