Related papers: A One-Dimensional Symmetric Force-Based Blending M…
We develop a robust and efficient iterative method for hyper-elastodynamics based on a novel continuum formulation recently developed. The numerical scheme is constructed based on the variational multiscale formulation and the…
It is shown that, an entire class of off-diagonally disordered linear lattices composed of two basic building blocks and described within a tight binding model can be tailored to generate absolutely continuous energy bands. It can be…
The curse of dimensionality (COD) limits the current state-of-the-art {\it ab initio} propagation methods for non-relativistic quantum mechanics to relatively few particles. For stationary structure calculations, the coupled-cluster (CC)…
We use recent theoretical advances to develop a new functional form for interatomic forces in bulk silicon. The theoretical results underlying the model include a novel analysis of elastic properties for the diamond and graphitic structures…
The recent results of [J. Dubail, J.-M. St\'ephan, J. Viti, P. Calabrese, Scipost Phys. 2, 002 (2017)], which aim at providing access to large scale correlation functions of inhomogeneous critical one-dimensional quantum systems -- e.g. a…
We have developed a symmetry-adapted modeling procedure for molecules and crystals. By using the completeness of multipoles to express spatial and time-reversal parity-specific anisotropic distributions, we can generate systematically the…
This paper presents a systematic method for exploring the nonlinear dynamics of multi-degree-of-freedom (MDOF) physical experiments. To illustrate the power of this method, known as control-based continuation (CBC), it is applied to a…
A thermodynamically consistent particle-based model for fluid dynamics with continuous velocities and a non-ideal equation of state is presented. Excluded volume interactions are modeled by means of biased stochastic multiparticle…
Semidefinite programming (SDP) is widely acknowledged as one of the most effective methods for deriving the tightest lower bounds of the optimal power flow (OPF) problems. In this paper, an enhanced semidefinite relaxation model that…
We apply to a liquid of linear molecules the semischematic mode-coupling model, previously introduced to describe the center of mass (COM) slow dynamics of a network-forming molecular liquid. We compare the theoretical predictions and…
We investigate two examples of node-based cluster summation rules that have been proposed for the quasicontinuum method: a force-based approach (Knap & Ortiz, J. Mech. Phys. Solids 49, 2001), and an energy-based approach which is a…
We develop and present a unified multi-scale model (involving three scales of spatial organisation) to study the dynamics of rigid aggregating particles suspended in a viscous fluid medium and subject to a steady poiseuille flow. At…
Local-nonlocal coupling approaches provide a means to combine the computational efficiency of local models and the accuracy of nonlocal models. To facilitate the coupling of the two models, non-matching grids are often desirable as nonlocal…
This paper introduces multidimensional algorithms for simulating multiphase flows, leveraging the wave structure of the Euler equations in characteristic space and the physical properties of variables in physical space. The algorithm…
We introduce a nonlinear, one-dimensional bending-twisting model for an inextensible bi-rod that is composed of a nematic liquid crystal elastomer. The model combines an elastic energy that is quadratic in curvature and torsion with a…
In this paper, we propose a unified framework for sampling, clustering and embedding data points in semi-metric spaces. For a set of data points $\Omega=\{x_1, x_2, \ldots, x_n\}$ in a semi-metric space, we consider a complete graph with…
This work begins by applying peridynamics and phase-field modeling to predict 1-d interface motion with inertia in an elastic solid with a non-monotone stress-strain response. In classical nonlinear elasticity, it is known that subsonic…
We have further developed and extended a method for calculation of atomic properties based on a combination of the configuration interaction and coupled-cluster approach. We have applied this approach to the calculation of different…
The recently developed effective interaction method for the hyperspherical harmonic formalism is extended to noncentral forces. Binding energies and radii of three- and four-body nuclei are calculated with AV6 and AV14 NN potentials.…
Atomic force microscopy (AFM) is one of the most promising methods for investigating the structure of materials at the micro and nanoscale levels, as well as their local physical-mechanical properties. The experimental data obtained with…