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The thermodynamic description of dislocation glide in crystals depends crucially on the shape of the Peierls barrier that the dislocation has to overcome when moving in the lattice. While the height of this barrier can be obtained…

Materials Science · Physics 2014-09-04 R. Gröger

Plasticity in hexagonal close packed (HCP) metals and alloys such as Titanium (Ti) and Zirconium (Zr) is carried out by the motion of $\langle a \rangle$ dislocations. Above room temperature, in situ transmission electron microscopy…

Materials Science · Physics 2023-10-25 Ali Rida , Satish I. Rao , Jaafar A. El-Awady

A central problem in the deployment of quantum technologies is the realization of robust architectures for quantum interconnects. We propose to engineer interconnects in semiconductors and insulators by patterning spin qubits at…

We use computer simulations to study the behavior of atomically sharp and blunted cracks in various f.c.c. metals. The simulations use effective medium potentials which contain many-body interactions. We find that when using potentials…

Materials Science · Physics 2007-05-23 J. Schiotz , A. E. Carlsson

The interaction of edge dislocation with helium-implantation-induced defects in tungsten is investigated using molecular dynamics. Following prior investigations, we consider defects with two helium ions in a vacancy with a…

Materials Science · Physics 2023-04-28 Suchandrima Das , Andrea Sand , Felix Hofmann

This note collects some results on the behaviour of screw dislocation in an elastic medium. By using a semi-discrete model, we are able to investigate two specific aspects of the dynamics, namely (i) the interaction with free boundaries and…

Analysis of PDEs · Mathematics 2017-07-20 Marco Morandotti

Thermally-activated $\small{\nicefrac{1}{2}}<111>$ screw dislocation motion is the controlling plastic mechanism at low temperatures in body-centered cubic (bcc) crystals. Motion proceeds by the nucleation and propagation of atomic-sized…

Materials Science · Physics 2014-08-27 Alexander Stukowski , David Cereceda , Thomas D. Swinburne , Jaime Marian

Recently, a dislocation free deformation mechanism was proposed by Kiritani et al., based on a series of experiments where thin foils of fcc metals were deformed at very high strain rates. In the experimental study, they observed a large…

Materials Science · Physics 2015-06-24 J. Schiøtz , T. Leffers , B. N. Singh

The ability of a body-centered cubic metal to deform plastically is limited by the thermally activated glide motion of screw dislocations, which are line defects with a mobility exhibiting complex dependence on temperature, stress, and…

Materials Science · Physics 2020-11-25 M. Boleininger , M. Gallauer , S. L. Dudarev , T. D. Swinburne , D. R. Mason , D. Perez

Two-dimensional (2D) layered materials hosting dislocations have attracted considerable research attention in recent years. In particular, screw dislocations can result in a spiral topology and an interlayer twist in the layered materials,…

Materials Science · Physics 2020-12-23 Rui Chen , Jinhua Cao , Stephen Gee , Yin Liu , Jie Yao

A physically-informed continuum crystal plasticity model is presented to elucidate the deformation mechanisms and dislocation evolution in body-centered-cubic (bcc) tantalum widely used as a key structural material for mechanical and…

This study delves into bcc HfNbTaTiZr refractory high entropy alloys, focusing on the $\frac{1}{2}\langle111\rangle$ screw dislocation core structures. While traditional observations in pure elements often revealed compact dislocation…

Materials Science · Physics 2024-05-07 Asif Iqbal Bhatti , David Tingaud , M. Seydou , Sylvain Queyreau

The X-cube model, a prototypical gapped fracton model, has been shown to have a foliation structure. That is, inside the 3+1D model, there are hidden layers of 2+1D gapped topological states. A screw dislocation in a 3+1D lattice can often…

Strongly Correlated Electrons · Physics 2021-05-05 Nandagopal Manoj , Kevin Slagle , Wilbur Shirley , Xie Chen

A plastic crack model for smectic A liquid crystals under longitudinal shear is suggested. The solution of screw dislocation in smectic A is the key in which the correct result is just obtained by overcoming a longstanding puzzle [19]. We…

Soft Condensed Matter · Physics 2012-10-31 Tian You Fan

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 · Physics 2009-10-30 J. Schiøtz , L. M. Canel , A. E. Carlsson

The upscaling of a system of screw dislocations in a material subject to an external strain is studied. The $\Gamma$-limit of a suitable rescaling of the renormalized energy is characterized in the space of probability measures. This…

Analysis of PDEs · Mathematics 2018-08-28 Ilaria Lucardesi , Marco Morandotti , Riccardo Scala , Davide Zucco

Twin growth in hexagonal close-packed zirconium is investigated at the atomic scale by modeling the various disconnections that can exist on twin boundaries. Thanks to a coupling with elasticity theory, core energies are extracted from…

Materials Science · Physics 2017-05-08 Olivier Mackain , Maeva Cottura , David Rodney , Emmanuel Clouet

A continual model of non-singular screw dislocation lying along a straight infinitely long circular cylinder is investigated in the framework of translational gauge approach with the Hilbert--Einstein gauge Lagrangian. The stress--strain…

Materials Science · Physics 2007-05-23 C. Malyshev

In order to predict the long-term effects of irradiation on the material properties of tungsten, a continuum approach to simulating the interactions of dislocation loops, which arise from radiation damage, is proposed. Continuum models of…

Materials Science · Physics 2026-04-20 Joseph Duque Lopez , Sergei Dudarev , James Kermode , Thomas Hudson

The high lattice mismatched SiC/Si(001) interface was investigated by means of combined classical and ab initio molecular dynamics. Among the several configurations analyzed, a dislocation network pinned at the interface was found to be the…

Materials Science · Physics 2007-09-12 Giancarlo Cicero , Laurent Pizzagalli , Alessandra Catellani