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We employed a real-space formulation of orbital-free density functional theory using finite-element basis to study the defect-core and energetics of an edge dislocation in Aluminum. Our study shows that the core-size of a perfect edge…

Materials Science · Physics 2015-06-22 Mrinal Iyer , Balachandran Radhakrishnan , Vikram Gavini

Elastic constants are among the most fundamental and important properties of solid materials, which is why they are routinely characterized in both experiments and simulations. While conceptually simple, the treatment of elastic constants…

Materials Science · Physics 2023-08-01 Jan Grießer , Lucas Frérot , Jonas A. Oldenstaedt , Martin H. Müser , Lars Pastewka

The elastic energy of mixing for multi-component solid solutions is derived by generalizing Eshelby's sphere-in-hole model for binary alloys. By surveying the dependence of the elastic energy on chemical composition and lattice misfit, we…

Materials Science · Physics 2021-09-01 Reza Darvishi Kamachali , Lei Wang

A static variational model for shape formation in heteroepitaxial crystal growth is considered. The energy functional takes into account surface energy, elastic misfit-energy and nucleation energy of dislocations. A scaling law for the…

Analysis of PDEs · Mathematics 2024-03-21 Lukas Abel , Janusz Ginster , Barbara Zwicknagl

We propose nonlinear semi-discrete and discrete models for the elastic energy induced by a finite systems of edge dislocations in two dimensions. Within the dilute regime, we analyze the asymptotic behavior of the nonlinear elastic energy,…

Analysis of PDEs · Mathematics 2023-05-04 Roberto Alicandro , Lucia De Luca , Mariapia Palombaro , Marcello Ponsiglione

We propose a discrete lattice model of the energy of dislocations in three-dimensional crystals which properly accounts for lattice symmetry and geometry, arbitrary harmonic interatomic interactions, elastic deformations and discrete…

Analysis of PDEs · Mathematics 2024-07-23 Sergio Conti , Adriana Garroni , Michael Ortiz

The choice of elastic energies for thin plates and shells is an unsettled issue with consequences for much recent modeling of soft matter. Through consideration of simple deformations of a thin body in the plane, we demonstrate that four…

Soft Condensed Matter · Physics 2019-06-04 H. G. Wood , J. A. Hanna

A theoretical framework is proposed to derive a dynamic equation motion for rectilinear dislocations within isotropic continuum elastodynamics. The theory relies on a recent dynamic extension of the Peierls-Nabarro equation, so as to…

Materials Science · Physics 2014-09-02 Yves-Patrick Pellegrini

Energies of a certain class of fullerene molecules (elongated, contracted, and regular icosahedral fullerenes) are numerically calculated using a microscopic description of carbon-carbon bonding. It is shown how these results can be…

Soft Condensed Matter · Physics 2009-11-11 Antonio Siber

We present a variational framework for studying screw dislocations subject to antiplane shear. Using a classical model developed by Cermelli and Gurtin, methods of Calculus of Variations are exploited to prove existence of solutions, and to…

Analysis of PDEs · Mathematics 2014-10-24 Timothy Blass , Marco Morandotti

The unexpectedly strong suppression of high p_T heavy-quarks in heavy-ion collisions has given rise to the idea that partons propagating through a medium in addition to energy loss by induced radiation also undergo substantial energy loss…

High Energy Physics - Phenomenology · Physics 2008-11-26 Thorsten Renk

Integral expressions are determined for the elastic displacement and stress fields due to stationary or moving dislocation loops in finite samples. These general expressions are valid for anisotropic media as well. Specifically for the…

Condensed Matter · Physics 2017-02-08 Rodrigo Arias

We study the mechanics and statistical physics of dislocations interacting on cylinders, motivated by the elongation of rod-shaped bacterial cell walls and cylindrical assemblies of colloidal particles subject to external stresses. The…

Soft Condensed Matter · Physics 2013-05-15 Ariel Amir , Jayson Paulose , David R. Nelson

Theoretical results on the dynamics of dislocations in Rayleigh-B\'enard convection are reported both for Swift-Hohenberg models and the Boussinesq equations. For intermediate Prandtl numbers the motion of dislocations is found to be driven…

Soft Condensed Matter · Physics 2007-05-23 Th. Walter , W. Pesch , E. Bodenschatz

In this paper we derive a line tension model for dislocations in 3d starting from a geometrically nonlinear elastic energy with quadratic growth. In the asymptotic analysis, as the amplitude of the Burgers vectors (proportional to the…

Analysis of PDEs · Mathematics 2020-04-07 Adriana Garroni , Roberta Marziani , Riccardo Scala

We propose bending energies for isotropic elastic plates and shells. For a plate, we define and employ a surface tensor that symmetrically couples stretch and curvature such that any elastic energy density constructed from its invariants is…

Soft Condensed Matter · Physics 2022-06-22 E. Vitral , J. A. Hanna

We investigate the elastic energy stored in a filament pair as a function of applied twist by measuring torque under prescribed end-to-end separation conditions. We show that the torque increases rapidly to a peak with applied twist when…

Soft Condensed Matter · Physics 2024-03-12 Julien Chopin , Animesh Biswas , Arshad Kudrolli

On the basis of the pseudopotential plane-wave(PP-PW) method and the local-density-functional theory(LDFT), this paper studies energetics, stress-strain relation, stability and ideal strength of $\beta $-SiC under various loading modes,…

Materials Science · Physics 2009-10-31 Weixue Li , Tzuchiang Wang

This study presents a physically consistent displacement-driven reformulation of the concept of action-at-a-distance, which is at the foundation of nonlocal elasticity. In contrast to existing approaches that adopts an integral…

Numerical Analysis · Mathematics 2021-11-03 Sansit Patnaik , Sai Sidhardh , Fabio Semperlotti

The buckling and twisting of slender, elastic fibers is a deep and well-studied field. A slender elastic rod that is twisted with respect to a fixed end will spontaneously form a loop, or hockle, to relieve the torsional stress that builds.…

Soft Condensed Matter · Physics 2021-08-03 Adam Fortais , Elsie Loukiantchenko , Kari Dalnoki-Veress