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An atomistic model of near-crack-tip plasticity on a square lattice under anti-plane shear kinematics is formulated and studied. The model is based upon a new geometric and functional framework of a lattice manifold complex, which ensures…

Analysis of PDEs · Mathematics 2021-08-11 Maciej Buze

We examine the atomistic scale dependence of material's resistance-to-failure by numerical simulations and analytical analysis in electrical analogs of brittle crystals. We show that fracture toughness depends on the lattice geometry in a…

Materials Science · Physics 2020-07-16 Thuy Nguyen , Daniel Bonamy

We consider a variational anti-plane lattice model and demonstrate that at zero temperature, there exist locally stable states containing screw dislocations, given conditions on the distance between the dislocations, and on the distance…

Analysis of PDEs · Mathematics 2016-07-20 Thomas Hudson , Christoph Ortner

We formulate a model for a point defect embedded in a homogeneous multilattice crystal with an empirical interatomic potential interaction. Under a natural, phonon stability assumption we quantify the decay of the long-range elastic fields…

Analysis of PDEs · Mathematics 2016-10-03 Derek Olson , Christoph Ortner

We consider atomistic systems consisting of interacting particles arranged in atomic lattices whose quasi-static evolution is driven by time-dependent boundary conditions. The interaction of the particles is modeled by classical interaction…

Analysis of PDEs · Mathematics 2022-11-01 Rufat Badal , Manuel Friedrich , Joscha Seutter

In this paper we analyze a two-dimensional discrete model of nearest-neighbour Lennard-Jones interactions under the microscopical constraint that points on a lattice triangle maintain their order. This can be understood as a microscopical…

Mathematical Physics · Physics 2016-08-24 Andrea Braides , Maria Stella Gelli

We study three quasicontinuum approximations of a lattice model for crack propagation. The influence of the approximation on the bifurcation patterns is investigated. The estimate of the modeling error is applicable to near and beyond…

Numerical Analysis · Mathematics 2013-10-03 Xiantao Li , Pingbing Ming

Localised defect modes generated by a finite line defect composed of several masses, embedded an infinite square cell lattice, are analysed using the linear superposition of Green's function for a single mass defect. Several representations…

Mathematical Physics · Physics 2015-03-20 D. J. Colquitt , M. J. Nieves , I. S. Jones , A. B. Movchan , N. V. Movchan

Fracture toughness is the material property characterizing resistance to failure. Predicting its value from the solid structure at the atomistic scale remains elusive, even in the simplest situations of brittle fracture. We report here…

Soft Condensed Matter · Physics 2024-10-30 Thuy Nguyen , Daniel Bonamy

We develop a model describing long-range atom-atom interactions in a two-dimensional periodic or a-periodic lattice of optical centers considering spectral and spatial broadening effects. Using both analytical and numerical Green's function…

Optics · Physics 2025-04-15 Trevor Kling , Dong-yeop Na , Mahdi Hosseini

Various fields such as mechanical engineering, materials science, etc., have seen a widespread use of linear elastic fracture mechanics (LEFM) at the continuum scale. LEFM is also routinely applied to the atomic scale. However, its…

Materials Science · Physics 2022-08-25 Tarakeshwar Lakshmipathy , Paul Steinmann , Erik Bitzek

We investigate a quasi-static-antiplane contact problem, examining a thermo-electro-visco-elastic material with a friction law dependent on the slip rate, assuming that the foundation is electrically conductive. The mechanical problem is…

Analysis of PDEs · Mathematics 2024-02-06 Besma Fadlia , Mohamed Dalah , Delfim F. M. Torres

We present a detailed study of a two-dimensional minimal lattice model for the description of mud cracking in the limit of extremely thin layers. In this model each bond of the lattice is assigned to a (quenched) breaking threshold.…

Statistical Mechanics · Physics 2007-05-23 Raffaele Cafiero , Guido Caldarelli , Andrea Gabrielli

The Embedded-Atom Model (EAM) provides a phenomenological description of atomic arrangements in metallic systems. It consists of a configurational energy depending on atomic positions and featuring the interplay of two-body atomic…

Mathematical Physics · Physics 2021-09-01 Laurent Bétermin , Manuel Friedrich , Ulisse Stefanelli

This paper focuses on the development of the atomistic framework for determining the lower scale mechanical parameters of single components of a metal matrix composite for final application to a micromechanical damage model. Here, the…

Materials Science · Physics 2024-03-11 Marcin Maździarz , Szymon Nosewicz

Efficient computation of lattice defect geometries such as point defects, dislocations, disconnections, grain boundaries, interfaces and free surfaces requires accurate coupling of displacements near the defect to the long-range elastic…

Materials Science · Physics 2013-08-06 Joseph A. Yasi , Dallas R. Trinkle

In our previous work (Assier \& Shanin, QJMAM, 2019), we gave a new spectral formulation in two complex variables associated with the problem of plane-wave diffraction by a quarter-plane. In particular, we showed that the unknown spectral…

Analysis of PDEs · Mathematics 2021-02-09 Raphaël C. Assier , Andrey V. Shanin

We formulate a variational model for a geometrically necessary screw dislocation in an anti-plane lattice model at zero temperature. Invariance of the energy functional under lattice symmetries renders the problem non-coercive.…

Analysis of PDEs · Mathematics 2014-04-29 Thomas Hudson , Christoph Ortner

The formation and motion of lattice defects such as cracks, dislocations, or grain boundaries, occurs when the lattice configuration loses stability, that is, when an eigenvalue of the Hessian of the lattice energy functional becomes…

Numerical Analysis · Mathematics 2015-05-13 Matthew Dobson , Mitchell Luskin , Christoph Ortner

We study a crack lying along an imperfect interface in an anisotropic bimaterial. A method is devised where known weight functions for the perfect interface problem are used to obtain singular integral equations relating the tractions and…

Mathematical Physics · Physics 2014-11-26 Lewis Pryce , Adam Vellender , Alexander Zagnetko
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