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We present a coupled atomistic-continuum method for the modeling of defects and interface dynamics of crystalline materials. The method uses atomistic models such as molecular dynamics near defects and interfaces, and continuum models away…

Materials Science · Physics 2009-11-07 Weinan E , Zhongyi Huang

Exact solutions are derived for the problem of a two-dimensional, infinitely anisotropic, linear-elastic medium containing a periodic lattice of voids. The matrix material possesses either one infinitely soft, or one infinitely hard loading…

Materials Science · Physics 2008-04-17 Francois Willot , Yves-Patrick Pellegrini , Pedro Ponte Castaneda

We derive a dimension-reduction limit for a three-dimensional rod with material voids by means of $\Gamma$-convergence. Hereby, we generalize the results of the purely elastic setting [57] to a framework of free discontinuity problems. The…

Analysis of PDEs · Mathematics 2023-11-30 Manuel Friedrich , Leonard Kreutz , Konstantinos Zemas

A discrete-to-continuum analysis for free-boundary problems related to crystalline films deposited on substrates is performed by $\Gamma$-convergence. The discrete model here introduced is characterized by an energy with two contributions,…

Analysis of PDEs · Mathematics 2019-02-19 Leonard Kreutz , Paolo Piovano

We investigate the formation of polycrystalline structures in a class of particle systems. The atomistic energy is modeled as a sum of particle energies that favor atoms being locally isometric to a reference lattice. The discrete frame…

Mesoscale and Nanoscale Physics · Physics 2026-04-22 Leonard Kreutz , Timo Ziereis

We study the behavior of atomistic models in general dimensions under uniaxial tension and investigate the system for critical fracture loads. We rigorously prove that in the discrete-to-continuum limit the minimal energy satisfies a…

Analysis of PDEs · Mathematics 2014-12-05 Manuel Friedrich , Bernd Schmidt

We present a method to determine the equilibrium geometry of large atomistic systems with linear scaling. It is based on a separate treatment of long and short wavelength components of the forces. While the rapidly varying part is handled…

Materials Science · Physics 2009-11-07 Stefan Goedecker , Frederic Lancon , Thierry Deutsch

Surface tension at cavity walls can play havoc with the mechanical properties of perforated soft solids when the cavities are filled with a fluid. This study is an investigation of the macroscopic elastic properties of elastomers embedding…

Analysis of PDEs · Mathematics 2023-09-08 Juan Casado Dìaz , Gilles A. Francfort , Oscar Lopez-Pamies , Maria Giovanna Mora

Stress-stress correlations in crystalline solids with long-range order can be straightforwardly derived using elasticity theory. In contrast, the `emergent elasticity' of amorphous solids, rigid materials characterized by an underlying…

Soft Condensed Matter · Physics 2025-07-04 Jimin Bai , Long-Zhou Huang , Jin Shang , Yun-Jiang Wang , Jie Zhang , Matteo Baggioli

In this letter, we develop a framework to study the mechanical response of athermal amorphous solids via a coupling of mesoscale and microscopic models. Using measurements of coarse grained quantities from simulations of dense disordered…

Soft Condensed Matter · Physics 2021-04-07 Chen Liu , Suman Dutta , Pinaki Chaudhuri , Kirsten Martens

Using a geometric formalism of elasticity theory we develop a systematic theoretical method for controlling and manipulating the mechanical response of slender solids to external loads. We formally express global mechanical properties…

Soft Condensed Matter · Physics 2021-05-04 Michal Arieli , Eran Sharon , Michael Moshe

The bi-continuum model composed of two interpenetrating and dynamically coupled material continua is analysed as a simplified but relatively accurate way to describe some physical phenomena in crystalline solids. The essential novelty of…

Materials Science · Physics 2007-05-23 M. Sztyren

The modeling of the elastic properties of disordered or nanoscale solids requires the foundations of the theory of elasticity to be revisited, as one explores scales at which this theory may no longer hold. The only cases for which…

Materials Science · Physics 2007-05-23 I. Goldhirsch , C. Goldenberg

We present a multiscale atomistic-to-continuum method for ionic crystals with defects. Defects often play a central role in ionic and electronic solids, not only to limit reliability, but more importantly to enable the functionalities that…

Mesoscale and Nanoscale Physics · Physics 2013-10-11 Jason Marshall , Kaushik Dayal

A general model is formulated for elasto-plastic materials undergoing linear kinematic hardening to describe microstructure evolution associated with phase transformations. Using infinitesimal strain theory, the model is based on…

Computational Engineering, Finance, and Science · Computer Science 2026-02-20 Sarah Dinkelacker-Steinhoff , Klaus Hackl

Numerous soft materials jam into an amorphous solid at high packing fraction. This non-equilibrium phase transition is best understood in the context of a model system in which particles repel elastically when they overlap. Recently,…

Soft Condensed Matter · Physics 2020-08-26 Dion J. Koeze , Lingtjien Hong , Abhishek Kumar , Brian P. Tighe

Within the framework of continuum mechanics, the full description Of joint motion of elastic bodies and compressible viscous fluids with taking into account thermal effects is given by the system consisting of the mass, momentum, and energy…

Analysis of PDEs · Mathematics 2007-05-23 Anvarbek M. Meirmanov , Sergei A. Sazhenkov

We consider an atomistic model defined through an interaction field satisfying a variational principle, and can therefore be considered a toy model of (orbital free) density functional theory. We investigate atomistic-to-continuum coupling…

Numerical Analysis · Mathematics 2011-12-06 B. Langwallner , C. Ortner , E. Süli

We investigate the emergence of the continuum elastic limit from the atomistic description of matter at zero temperature considering how locally defined elastic quantities depend on the coarse graining length scale. Results obtained…

Soft Condensed Matter · Physics 2016-08-24 Abdullah Cakir , Massimo Pica Ciamarra

We study the flow of an electrically charged fluid through an elastic and porous medium. A three continuum model consisting of an elastic solid, a viscous fluid, and a mobile charge continuum is used. The relevant laws of physics are…

Soft Condensed Matter · Physics 2024-03-19 Jiashi Yang
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