Related papers: On atomistic-to-continuum couplings without ghost …
We propose a method for efficiently coupling the finite element method with atomistic simulations, while using molecular dynamics or kinetic Monte Carlo techniques. Our method can dynamically build an optimized unstructured mesh that…
We formulate an energy-based atomistic-to-continuum coupling method based on blending the quasicontinuum method for the simulation of crystal defects. We utilize theoretical results from Ortner and Van Koten (manuscript) to derive optimal…
We find that the recently-proposed ghost-free interaction of a 2-form gauge field in four dimensions, which contains derivative couplings in a nonperturbative manner, can be regarded as a resummation of ghostly interaction terms. We…
The realization of topological states of matter in ultracold atomic gases is currently the subject of intense experimental activity. Using a synthetic dimension, encoded in a non-spatial degree of freedom, can greatly simplify the…
We formulate an atomistic-to-continuum coupling method based on blending atomistic and continuum forces. Our precise choice of blending mechanism is informed by theoretical predictions. We present a range of numerical experiments studying…
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…
This paper presents a generalized energy-based modeling framework extending recent formulations tailored for differential-algebraic equations. The proposed structure, inspired by the port-Hamiltonian formalism, ensures passivity, preserves…
Nonlocal models provide accurate representations of physical phenomena ranging from fracture mechanics to complex subsurface flows, where traditional partial differential equations fail to capture effects caused by long-range forces at the…
A new numerical approach is proposed for the simulation of coupled three-dimensional and one-dimensional elliptic equations (3D-1D coupling) arising from dimensionality reduction of 3D-3D problems with thin inclusions. The method is based…
Classical atomistic simulations based on interatomic potentials resolve lattice instabilities, defect nucleation, and microstructure evolution with high fidelity, but their accessible system sizes remain far below those required for…
Three-dimensional lattices are fundamental to solid-state physics. The description of a lattice with an atomic basis constitutes the necessary information to predict solid phase properties and evolution. Here, we present a new algorithm for…
We introduce a hybrid method to couple continuous Galerkin finite element methods and high-order finite difference methods in a nonconforming multiblock fashion. The aim is to optimize computational efficiency when complex geometries are…
A model-free measure of coupling between dynamical variables is built from time series embedding principle. The approach described does not require a mathematical form for the dynamics to be assumed. The approach also does not require…
We present a new approach to build models of quintessence interacting with dark or baryonic matter. We use a variational approach for relativistic fluids to realize an effective description of matter fields at the Lagrangian level. The…
We show that methods developed in the context of perturbative calculations can be transferred to non-perturbative calculations. We demonstrate that correlation functions on the lattice can be computed with the method of differential…
First-principles calculations of charged defects have become a cornerstone of research in semiconductors and insulators by providing insights into their fundamental physical properties. But current standard approach using the so-called…
A methodology for handling block-to-block coupling of nonconforming, multiblock summation-by-parts finite difference methods is proposed. The coupling is based on the construction of projection operators that move a finite difference grid…
We study the impact of a minimal length on physical observables for a three-dimensional axionic electrodynamics. Our calculation is done within the framework of the gauge-invariant, but path-dependent, variables formalism which is…
We investigate a cosmological model in which dark energy, represented by a quintessential scalar field, is directly coupled to a dark-matter perfect fluid. We are interested in solutions of cosmological relevance, namely those for which a…
A novel strategy is proposed for the coupling of field and circuit equations when modeling power devices in the low-frequency regime. The resulting systems of differential-algebraic equations have a particular geometric structure which…