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The properties of condensed matter are determined by single-particle and collective excitations and their interactions. These quantum-mechanical excitations are characterized by an energy E and a momentum \hbar k which are related through…

Strongly Correlated Electrons · Physics 2007-05-23 K. Byczuk , M. Kollar , K. Held , Y. -F. Yang , I. A. Nekrasov , Th. Pruschke , D. Vollhardt

A field theory is developed for a thermodynamical description of array of parallel non-singular screw dislocations in elastic cylinder. The partition function of the system is considered in the functional integral form. Self-energy of the…

Materials Science · Physics 2015-05-30 C. Malyshev

We address the question of the observed pinning of 1/2 <110] ordinary screw dislocations in gamma-TiAl which leads to the characteristic trailing of dipoles in the microstructure. While it has been proposed that these may be variously…

Materials Science · Physics 2010-11-01 Ivaylo H. Katzarov , Anthony T. Paxton

A multiscale approach based on molecular dynamics (MD) and kinetic Monte Carlo (kMC) methods is developed to simulate the dynamics of an $\langle \mathbf{a} \rangle$ screw dislocation in $\alpha$-Ti. The free energy barriers for the core…

Materials Science · Physics 2023-12-22 Anwen Liu , Tongqi Wen , Jian Han , David J. Srolovitz

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

A number of recent Molecular Dynamics (MD) simulations have demonstrated that screw dislocations in face centered cubic (fcc) metals can achieve stable steady state motion above the lowest shear wave speed ($v_\text{shear}$) which is…

Materials Science · Physics 2021-04-16 Daniel N. Blaschke , Jie Chen , Saryu Fensin , Benjamin A. Szajewski

The cross-slip process of a screw $<$a$>$ dislocation from the basal to the prismatic plane in magnesium was studied using the density functional theory and the molecular dynamics calculations. An atomistic method for calculating the total…

Materials Science · Physics 2015-06-12 M. Itakura , H. Kaburaki , M. Yamaguchi , T. Tsuru

The viscoplastic deformation (creep) of crystalline materials under constant stress involves the motion of a large number of interacting dislocations. Analytical methods and sophisticated `dislocation-dynamics' simulations have proved very…

Statistical Mechanics · Physics 2009-11-07 M. -Carmen Miguel , Alessandro Vespignani , Stefano Zapperi , Jerome Weiss , Jean-Robert Grasso

We use a real-space formulation of orbital-free DFT to study the core energetics and core structure of an isolated screw dislocation in Aluminum. Using a direct energetics based approach, we estimate the core size of a perfect screw…

Materials Science · Physics 2017-05-24 Sambit Das , Vikram Gavini

Within the continuum dislocation theory the asymptotic analysis of the plane strain crack problem for a single crystal having only one active slip system on each half-plane is provided. The results of this asymptotic analysis show that the…

Materials Science · Physics 2015-08-17 Khanh Chau Le , Van Nha Tran

The modest aim of this short article is to provide some new results for a screw dislocation in a functionally graded material within the theory of gradient elasticity. These results, based on a displacement formulation and the Fourier…

Materials Science · Physics 2010-12-24 Kamyar Davoudi , Hossein Davoudi , Elias Aifantis

Although point defects in solids are one of the most promising physical systems to build functioning qubits, it remains challenging to position them in a deterministic array and to integrate them into large networks. By means of advanced ab…

Materials Science · Physics 2024-06-12 Daniel Barragan-Yani , Ludger Wirtz

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

Dislocations in ceramics at room temperature are attracting increasing research interest. Dislocations may bring a new perspective for tuning physical and mechanical properties in advanced ceramics. Here, we investigate the dislocation…

Materials Science · Physics 2025-04-09 Jiawen Zhang , Xufei Fang , Wenjun Lu

We investigate the depinning transition occurring in dislocation assemblies. In particular, we consider the cases of regularly spaced pileups and low angle grain boundaries interacting with a disordered stress landscape provided by solute…

Statistical Mechanics · Physics 2009-11-10 Paolo Moretti , M. -Carmen Miguel , Michael Zaiser , Stefano Zapperi

In this paper, we proposed a novel method using the elementary number theory to investigate the discrete nature of the screw dislocations in crystal lattices, simple cubic (SC) lattice and body centered cubic (BCC) lattice, by developing…

Mathematical Physics · Physics 2021-03-17 Shigeki Matsutani

Dislocation core properties of tin (\beta-Sn) were investigated using the semi-discrete variational Peierls-Nabarro model (SVPN). The SVPN model, which connects the continuum elasticity treatment of the long-range strain field around a…

Materials Science · Physics 2017-03-08 M. A. Bhatia , M. Azarnoush , I. Adlakha , G. Lu , K. N. Solanki

The fully two-dimensional Peierls barrier map of screw dislocations in BCC iron has been calculated using the first principles method to identify the migration path of a dislocation core. An efficient method to correct the effect of the…

Materials Science · Physics 2013-01-31 Mitsuhiro Itakura , Hideo Kaburaki , Masatake Yamaguchi

The aim of this paper is to provide new results and insights for a screw dislocation in functionally graded media within the gauge theory of dislocations. We present the equations of motion for dislocations in inhomogeneous media. We…

Materials Science · Physics 2011-02-21 Markus Lazar

The interaction of two screw dislocations in smectic-A liquid crystals is treated using an anharmonic correction to the elastic energy density. In the present contribution the elastic energy and the force between two screw dislocations is…

Soft Condensed Matter · Physics 2020-09-02 Lubor Lejcek