Related papers: A Generalized Quasi-Nonlocal Atomistic-to-Continuu…
A field theory is presented for predicting damage and fracture in quasi-brittle materials. The approach taken here is new and blends a non-local constitutive law with a two-point phase field. In this formulation, the material displacement…
The sequence of ground state energy density at finite size, e_{L}, provides much more information than usually believed. Having at disposal e_{L} for short lattice sizes, we show how to re-construct an approximate quasi-particle dispersion…
We present a new optimization-based method for atomistic-to-continuum (AtC) coupling. The main idea is to cast the coupling of the atomistic and continuum models as a constrained optimization problem with virtual Dirichlet controls on the…
This series of papers is devoted to the formulation and the approximation of coupling problems for nonlinear hyperbolic equations. The coupling across an interface in the physical space is formulated in term of an augmented system of…
We continue our analysis of the coupling between nonlinear hyperbolic problems across possibly resonant interfaces. In the first two parts of this series, we introduced a new framework for coupling problems which is based on the so-called…
To mitigate the substantial computational costs associated with modeling the mechanical behavior of large-scale architected lattice structures, this work introduces a concurrent multiscale approach: the Generalized Non-local Quasicontinuum…
We discuss the strong interaction regime of the nonlinear Landau-Zener problem coming up at coherent photo- and magneto-association of ultracold atoms. We apply a variational approach to an exact third-order nonlinear differential equation…
Fixed-point or Newton-methods are typically employed for the numerical solution of nonlinear systems arising from discretization of nonlinear magnetic field problems. We here discuss an alternative strategy which uses local Quasi-Newton…
We report a novel hybrid method of simultaneous atomistic simulation of solids in critical regions (contacts surfaces, cracks areas, etc.), along with continuum modeling of other parts. The continuum is treated in terms of quasi-atoms of…
Based on quasinormal-mode theory, we propose a novel approach enabling a deep analytical insight into the multi-parameter design and optimization of nonlinear photonic structures at subwavelength scale. A key distinction of our method from…
Quasicrystals are aperiodically ordered solids that exhibit long-range order without translational periodicity, bridging the gap between crystalline and amorphous materials. Due to their lack of translational periodicity, information on…
A combination of classical density-functional theory and thermodynamic perturbation theory is applied to a survey of finite-temperature trends in the relative stabilities of one-component crystals and quasicrystals interacting via effective…
We consider models of open quantum spin systems with irreversible dynamics and show that general quasi-locality results for long-range models, e.g. as proven for the Heisenberg dynamics associated to quantum systems in [27], naturally…
The dynamical properties of nuclei, carried by the concept of phonon quasiparticles (QP), are central to the field of condensed matter. While the harmonic approximation can reproduce a number of properties observed in real crystals, the…
We present an optimization-based coupling method for local and nonlocal continuum models. Our approach couches the coupling of the models into a control problem where the states are the solutions of the nonlocal and local equations, the…
Wavevector quasi-phase matching was devised in the 1960s as a way to boost nonlinear interactions with efficient quantum noise squeezing as one outstanding outcome. In the era of quantum technologies, we propose a new coupling quasi-phase…
The accurate approximation of critical strains for lattice instability is a key criterion for predictive computational modeling of materials. In this paper, we present a comparison of the lattice stability for atomistic chains modeled by…
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…
The tight binding model is a minimal electronic structure model for molecular modelling and simulation. We show that the total energy in this model can be decomposed into site energies, that is, into contributions from each atomic site…
We review recent progress in understanding the notion of locality in integrable quantum lattice systems. The central concept are the so-called quasilocal conserved quantities, which go beyond the standard perception of locality. Two…