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A new approach for characterizing the dislocation microstructure obtained from atomistic simulations is introduced, which relies on converting properties of discrete lines to continuous data. This data is represented by a number of density…

The dynamical friction force experienced by a massive gravitating body moving through a gaseous medium is modified by sufficiently strong large-scale magnetic fields. Using linear perturbation theory, we calculate the structure of the wake…

Cosmology and Nongalactic Astrophysics · Physics 2015-06-03 F. J. Sanchez-Salcedo

Slip transmission across $\alpha-\beta$ interfaces is of great significance in understanding the strength of $\alpha-\beta$ Ti alloys for aerospace applications. Molecular statics (MS) and molecular dynamics (MD) simulations were conducted…

Materials Science · Physics 2023-09-15 Ali Rida , Satish I. Rao , Jaafar A. El-Awady

Although continuum theory has been widely used to describe the long-range elastic behavior of dislocations, it is limited in its ability to describe mechanical behaviors that occur near dislocation cores. This limit of the continuum theory…

Materials Science · Physics 2020-10-28 Soon Kim , Keonwook Kang , Sung Youb Kim

Results of recent large-scale molecular dynamics simulations of dislocation-mediated solid plasticity are campared with predictions of the statistical thermodynamic theory of these phenomena. These computational and theoretical analyses are…

Materials Science · Physics 2018-09-12 J. S. Langer

Strain rate sensitivity is a key feature of material deformation, whose importance is growing both because miniaturized components experience higher effective rates and because small scale simulations increasingly probe such conditions. As…

Materials Science · Physics 2026-01-01 M. Aissaoui , C. Kahloun , O. U. Salman , S. Queyreau

In this work, molecular dynamics (MD) simulations were used to investigate elementary dislocation properties in a Co-free high entropy (HEA) model alloy ($Cr_{15}Fe_{46}Mn_{17}Ni_{22}$ at. %) in comparison with a model alloy representative…

Atomic and Molecular Clusters · Physics 2022-05-19 Ayobami Daramola , Anna Fraczkiewicz , Giovanni Bonny , Akiyoshi Nomoto , Gilles Adjanor , Christophe Domain , Ghiath Monnet

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

The dynamics of wire frame particles in concentrated suspension are studied by means of a 2D model and compared to those of rod-like particles. The wire frames have bent or branched structures constructed from infinitely thin rigid rods. In…

Soft Condensed Matter · Physics 2023-11-01 David A. King

We present computational evidence using MD simulations of a size effect for the critical resolved shear stress (CRSS) of edge dislocation motion in nickel superalloys. We model the superalloy as periodically spaced cubic $\gamma'$…

Materials Science · Physics 2025-07-16 Divyeshkumar A. Mistry , Amuthan A. Ramabathiran

Cross slip of screw dislocations in crystalline solids is a stress-driven thermally activated process essential to many phenomena during plastic deformation, including dislocation pattern formation, strain hardening, and dynamic recovery.…

Materials Science · Physics 2023-03-14 Yifan Wang , Wei Cai

Fracture material is seriously problem in daily life, and it has connection with mechanical properties itself. The mechanical properties is belief depend on dislocation movement and crack propagation in the crystal. Information about this…

Computational Physics · Physics 2012-12-04 Suprijadi , Ely Aprilia , Meiqorry Yusfi

In this work, we leverage atomistic spin-lattice simulations to examine how magnetic interactions impact the propagation of sound waves through a ferromagnetic material. To achieve this, we characterize the sound wave velocity in BCC iron,…

Materials Science · Physics 2022-04-27 P. Nieves , J. Tranchida , S. Nikolov , A. Fraile , D. Legut

The thermally activated motion of dislocations across fields of obstacles distributed at random and in a correlated manner, in separate models, is studied by means of computer simulations. The strain rate sensitivity and strength are…

Computational Physics · Physics 2018-07-27 Zhijie Xu , Catalin Picu

While deformation twinning in hexagonal close-packed metals has been widely studied due to its substantial impact on mechanical properties, an understanding of the detailed atomic processes associated with twin embryo growth is still…

We investigate the T(3)-gauge theory of static dislocations in continuous solids. We use the most general linear constitutive relations bilinear in the elastic distortion tensor and dislocation density tensor for the force and pseudomoment…

Materials Science · Physics 2009-11-13 Markus Lazar , Charalampos Anastassiadis

In this note we discuss two aspects of screw dislocations dynamics: their behavior near the boundary and a way to confine them inside the material. In the former case, we obtain analytical results on the estimates of collision times (one…

Analysis of PDEs · Mathematics 2017-05-24 Marco Morandotti

The properties of perfect screw dislocations have been investigated for several zinc-blende materials such as diamond, Si, $\beta$-SiC, Ge and GaAs, by performing first principles calculations. For almost all elements, a core configuration…

Materials Science · Physics 2007-09-12 Laurent Pizzagalli , Pierre Beauchamp , Jacques Rabier

The suitability of molecular statics (MS) simulations to model the structure of 90{\deg} glide set partial dislocation cores in GaAs is analyzed. In the MS simulations the atomic positions are iteratively relaxed by energy minimization, for…

Materials Science · Physics 2020-05-20 Thomas Riedl , Jörg K. N. Lindner

In seeking to understand at a microscopic level the response of dislocations to stress we have undertaken to study as completely as possible the simplest case: a single dislocation in a two dimensional crystal. The intention is that results…

Materials Science · Physics 2007-05-23 N. Bailey , J. Sethna , C. Myers
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