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Using first principles, classical potentials, and elasticity theory, we investigated the structure of a semiconductor/semiconductor interface with a high lattice mismatch, SiC/Si(001). Among several tested possible configurations, a…

Materials Science · Physics 2007-09-12 Laurent Pizzagalli , Giancarlo Cicero , Alessandra Catellani

Materials are often heterogeneous at various length scales, with variations in grain structure, defects, and composition which has a strong influence on the emergent macroscopic plastic behavior. In particular, heterogeneities lead to…

Materials Science · Physics 2024-06-17 Dénes Berta , David Kurunczi-Papp , Lasse Laurson , Péter Dusán Ispánovity

Starting from a prototypical model of elasto-plasticity in the small-strain and quasi-static setting, where the evolution of the plastic distortion is driven exclusively by the motion of discrete dislocations, this work performs a rigorous…

Analysis of PDEs · Mathematics 2025-03-26 Paolo Bonicatto , Filip Rindler

A continuum model to study the influence of dislocations on the electronic properties of condensed matter systems is described and analyzed. The model is based on a geometrical formalism that associates a density of dislocations with the…

Mesoscale and Nanoscale Physics · Physics 2012-03-22 Fernando de Juan , Alberto Cortijo , María A. H. Vozmediano

We develop a family of cut finite element methods of different orders based on the discontinuous Galerkin framework, for hyperbolic conservation laws with stationary interfaces in both one and two space dimensions, and for moving interfaces…

Numerical Analysis · Mathematics 2022-01-19 Pei Fu , Thomas Frachon , Gunilla Kreiss , Sara Zahedi

We study the Grain Boundary (GB) migration based on the underlying disconnection structure and mechanism. Disconnections are line defects that lie solely within a GB and are characterized by both a Burgers vector and a step height, as set…

Materials Science · Physics 2019-10-23 Chaozhen Wei , Spencer L. Thomas , Jian Han , David J. Srolovitz , Yang Xiang

A continuum plasticity model for metals is presented from considerations of non-equilibrium thermodynamics. Of specific interest is the application of a fluctuation relation that subsumes the second law of thermodynamics en route to…

Materials Science · Physics 2016-03-31 S Roy Chowdhury , D Roy , J N Reddy

The problem of quasistatic and rate-independent evolution of elastic-plastic-brittle delamination at small strains is considered. Delamination processes for linear elastic bodies glued by an adhesive to each other or to a rigid outer…

Numerical Analysis · Mathematics 2012-12-12 C. G. Panagiotopoulos , V. Mantic , T. Roubicek

In this paper, we present a dislocation-density-based three-dimensional continuum model, where the dislocation substructures are represented by pairs of dislocation density potential functions (DDPFs), denoted by $\phi$ and $\psi$. The slip…

Materials Science · Physics 2015-09-23 Yichao Zhu , Yang Xiang

In a continuum dislocation dynamics formulation by Xia and El-Azab, dislocations are represented by a set of vector density fields, one per crystallographic slip systems. The space-time evolution of these densities is obtained by solving a…

Computational Physics · Physics 2021-02-09 Peng Lin , Anter El-Azab

The nonequilibrium process in dislocation dynamics and its relaxation to the metastable transition profile is crucial for understanding the plastic deformation caused by line defects in materials. In this paper, we consider the full…

Analysis of PDEs · Mathematics 2022-01-07 Yuan Gao , Jean-Michel Roquejoffre

The displacement field for three dimensional dynamic elasticity problems in the frequency domain can be decomposed into a sum of a longitudinal and a transversal part known as a Helmholtz decomposition. The Cartesian components of both the…

Computational Physics · Physics 2019-10-02 Evert Klaseboer , Qiang Sun , Derek Y. C. Chan

We introduce an individual-based model for fiber elements having the ability to cross-link or unlink each other and to align with each other at the cross links. We first formally derive a kinetic model for the fiber and cross-links…

Mathematical Physics · Physics 2015-05-20 Pierre Degond , Fanny Delebecque , Diane Peurichard

This paper is devoted to the analysis of a semilinear suspension bridge model with pointwise localized dissipation. The main contribution of the work is the development of a robust semigroup framework that substantially simplifies the…

Analysis of PDEs · Mathematics 2026-05-28 Vilmos Komornik , Jaime E. Munoz Rivera

A system very similar to a dielectric barrier discharge, but with a simple stationary DC voltage, can be realized by sandwiching a gas discharge and a high-ohmic semiconductor layer between two planar electrodes. In experiments this system…

Pattern Formation and Solitons · Physics 2011-11-10 I. R. Rafatov , D. D. Sijacic , U. Ebert

We present theoretical and numerical results for the one-dimensional stochastically forced Burgers equation decimated on a fractal Fourier set of dimension $D$. We investigate the robustness of the energy transfer mechanism and of the…

Fluid Dynamics · Physics 2016-04-06 Michele Buzzicotti , Luca Biferale , Uriel Frisch , Samriddhi Sankar Ray

The motion of interfaces is an essential feature of microstructure evolution in crystalline materials. While atomic-scale descriptions provide mechanistic clarity, continuum descriptions are important for understanding microstructural…

Materials Science · Physics 2022-02-14 Marco Salvalaglio , David J. Srolovitz , Jian Han

We describe a mathematical model for heterojunctions in semiconductors which can be used, e.g., for modeling higher efficiency solar cells. The continuum model involves well-known drift-diffusion equations posed away from the interface.…

Computational Physics · Physics 2013-09-10 David H. Foster , Timothy Costa , Malgorzata Peszynska , Guenter Schneider

A Phenomenological Mesoscopic Field Dislocation Mechanics (PMFDM) model is developed, extending continuum plasticity theory for studying initial-boundary value problems of small-scale plasticity. PMFDM results from an elementary space-time…

Materials Science · Physics 2016-08-31 Amit Acharya , Anish Roy

As a generic model for transport of interacting fermions through a barrier or interstitials in a lattice, quantum Brownian motion in a periodic potential is studied. There is a duality transformation between the continuous coordinate or…

Condensed Matter · Physics 2007-05-23 M. Sassetti , H. Schomerus , U. Weiss