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Ab initio calculations in bcc iron show that a <111> screw dislocation induces a short-range dilatation field in addition to the Volterra elastic field. This core field is modeled in anisotropic elastic theory using force dipoles. The…

Materials Science · Physics 2009-11-13 Emmanuel Clouet , Lisa Ventelon , François Willaime

Aside from the Volterra field, dislocations create a core field, which can be modeled in linear anisotropic elasticity theory with force and dislocation dipoles. We derive an expression of the elastic energy of a dislocation taking full…

Materials Science · Physics 2011-12-22 Emmanuel Clouet

It is shown that in core-radius cutoff regularized simplified elasticity (where the elastic energy depends quadratically on the full displacement gradient rather than its symmetrized version), the force on a dislocation curve by the…

Analysis of PDEs · Mathematics 2020-03-19 Irene Fonseca , Janusz Ginster , Stephan Wojtowytsch

Anti-plane shear deformations of a hexagonal quasi-crystal with multiple screw dislocations are considered. Using a variational formulation, the elastic equilibrium is characterized via limit of minimizers of a core-regularized energy…

Analysis of PDEs · Mathematics 2016-12-09 Lei Wu

We propose an energy-consistent mathematical model for motion of dislocation curves in elastic materials using the idea of phase field model. This reveals a hidden gradient flow structure in the dislocation dynamics. The model is derived as…

Numerical Analysis · Mathematics 2016-01-12 Vladimir Chalupecky , Masato Kimura

The elastodynamic Peach-Koehler force is computed for a fully-regularized straight dislocation with isotropic core in continuum isotropic elastic elasticity, in compact forms involving partial mass or impulsion functions relative to shear…

Materials Science · Physics 2020-06-04 Yves-Patrick Pellegrini

We use first-principles spin-polarized energy density method (EDM) to calculate the atomic energies in isolated $a_0[100](010)$ edge, $a_0[100](011)$ edge, $\frac{a_0}{2}[\bar1\bar11](1\bar10)$ edge and $\frac{a_0}{2}[111](1\bar10)$…

Materials Science · Physics 2025-07-04 Yang Dan , Dallas R. Trinkle

Dislocations are topological defects known to be crucial in the onset of plasticity and in many properties of crystals. Classical Elasticity still fails to fully explain their dynamics under extreme conditions of high strain gradients and…

Soft Condensed Matter · Physics 2021-01-05 P. C. N. Pereira , S. W. S. Apolinario

The dislocation core field, which comes in addition to the Volterra elastic field, is studied for the <111> screw dislocation in alpha-iron. This core field, evidenced and characterized using ab initio calculations, corresponds to a biaxial…

Materials Science · Physics 2011-12-22 Emmanuel Clouet , Lisa Ventelon , F. Willaime

The dynamics of defect excitations in crystalline solids is necessary to understand the macroscopic low-energy properties of elastic media. We use fracton-elasticity duality to systematically study the defect dynamics and interactions in…

Materials Science · Physics 2024-05-07 Lazaros Tsaloukidis , Piotr Surówka

In this work, using the framework of (three-dimensional) Eshelbian dislocation mechanics, we derive the $J$-, $M$-, and $L$-integrals of a single (edge and screw) dislocation in isotropic elasticity as a limit of the $J$-, $M$-, and…

Materials Science · Physics 2020-08-25 Markus Lazar , Eleni Agiasofitou

We simulate the dislocation core structure in bcc iron using the modified Molecular Static method. A feature of this method is the application of an iterative procedure in which the atomic structure in the vicinity of the defect and the…

Materials Science · Physics 2021-01-05 A. A. Gusev , A. V. Nazarov

The elastic energy functional of a system of discrete dislocation lines is well known from dislocation theory. In this paper we demonstrate how the discrete functional can be used to systematically derive approximations which express the…

Materials Science · Physics 2015-12-02 Michael Zaiser

A general expression for the elastic potential energy of a helical spring is derived using the basic concepts of elasticity theory and geometry. Both the translational and the rotational displacement of the spring's moving ends are…

Classical Physics · Physics 2025-11-24 Saša Ilijić , Ana Babić , Dora Ivrlač , Andrew DeBenedictis

The action functional for a linear elastic medium with dislocations is given. The equations of motion following from this action reproduce the Peach-K\"{o}hler and Lorentzian forces experienced by dislocations. The explicit expressions for…

Materials Science · Physics 2022-03-11 P. O. Kazinski , V. A. Ryakin , A. A. Sokolov

The dislocation core is an important region as it controls many important properties of materials. Elasticity breaks down in the core and the stress, force, and energy diverge at the dislocation line. We consider three commonest methods…

Materials Science · Physics 2020-11-11 Kamyar M Davoudi

We consider dislocations in the framework of Eringen's nonlocal elasticity. The fundamental field equations of nonlocal elasticity are presented. Using these equations, the nonlocal force stresses of a straight screw and a straight edge…

Materials Science · Physics 2007-05-23 Markus Lazar

The stress fields of dislocations predicted by classical elasticity are known to be unrealistically large approaching the dislocation core, due to the singular nature of the theory. While in many cases this is remedied with the…

Materials Science · Physics 2015-05-22 Dariush Seif , Giacomo Po , Matous Mrovec , Markus Lazar , Christian Elsaesser , Peter Gumbsch

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

A general expression for the strain energy of a homogeneous, isotropic, plane extensible elastica with an arbitrary undeformed configuration is derived. This energy constitutes the correct expression for one-dimensional models of polymers…

Physics and Society · Physics 2023-09-13 Alessandro Taloni , Daniele Vilone , Giuseppe Ruta
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