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This paper provides an application of our hybrid continuum-particle scheme to liquids by considering unsteady shear flows driven by wall oscillations in nano-slots. The particle region (P) adjacent to the wall, is described at the atomistic…
This paper presents a unified framework for bond-associated peridynamic material correspondence models that were proposed to inherently address the issue of material instability or existence of zero-energy modes in the conventional…
A coupled atomistic spin and lattice dynamics approach is developed which merges the dynamics of these two degrees of freedom into a single set of coupled equations of motion. The underlying microscopic model comprises local exchange…
This paper explores the stability of nonsynchronous hybrid ac/dc power grids under the grid-forming hybrid angle control strategy. We formulate dynamical models for the ac grids and transmission lines, interlinking converters, and dc…
We study the dynamics of condensation of the inclusion process on a one-dimensional periodic lattice in the thermodynamic limit, generalising recent results on finite lattices for symmetric dynamics. Our main focus is on totally asymmetric…
The preconditioned Crank-Nicolson (pCN) method is a Markov Chain Monte Carlo (MCMC) scheme, specifically designed to perform Bayesian inferences in function spaces. Unlike many standard MCMC algorithms, the pCN method can preserve the…
A novel embedded atom method (EAM) potential for the Xi-phases of Al-Pd-Mn has been determined with the force-matching method. Different combinations of analytic functions were tested for the pair and transfer part. The best results are…
A modification of the Adaptive Biasing Force method is introduced, in which the free energy is approximated by a sum of tensor products of one-dimensional functions. This enables to handle a larger number of reaction coordinates than the…
To model the propagation of large water waves and associated loads applied to offshore structures, scientists and engineers have a need of fast and accurate models. A wide range of models have been developped in order to predict wave-fields…
An accurate description of strong correlation is quintessential for the exploration of emerging chemical phenomena. While near-term variational quantum algorithms provide a theoretically scalable framework for quantum chemical problems, the…
Coupling normalizing flows allow for fast sampling and density evaluation, making them the tool of choice for probabilistic modeling of physical systems. However, the standard coupling architecture precludes endowing flows that operate on…
Phase-field model is a powerful mathematical tool to study the dynamics of interface and morphology changes in fluid mechanics and material sciences. However, numerically solving a phase field model for a real problem is a challenge task…
The overarching goal of this work is to develop an accurate, robust, and stable methodology for finite deformation modeling using strong-form peridynamics (PD) and the correspondence modeling framework. We adopt recently developed methods…
This paper analyzes general spatially-coupled (SC) systems with multi-dimensional coupling. A continuum approximation is used to derive potential functions that characterize the performance of the SC systems. For any dimension of coupling,…
We present a new high-order finite volume reconstruction method for hyperbolic conservation laws. The method is based on a piecewise cubic polynomial which provides its solutions a fifth-order accuracy in space. The spatially reconstructed…
The Athena MHD code has been extended to integrates the motion of particles coupled with the gas via aerodynamic drag, in order to study the dynamics of gas and solids in protoplanetary disks and the formation of planetesimals. Our…
We construct range-separated double-hybrid schemes which combine coupled-cluster or random-phase approximations with a density functional based on a two-parameter Coulomb-attenuating-method-like decomposition of the electron-electron…
In Part I of this two part series, we presented a multi-neighbor dependent contact model for adhesive elastic-plastic particles built upon the method of dimensionality reduction that is valid for the elastic and fully-plastic contact…
A novel atomistic-continuum method (ACM) based on finite element method (FEM) is proposed to numerically simulate the nano-scaled Poisson's ratio and Young's modulus effect of Lithium (Li) body-centered cubic (BCC) structure. The potential…
Molecular dynamics (MD) simulation, which is considered an important tool for studying physical and chemical processes at the atomic scale, requires accurate calculations of energies and forces. Although reliable energies and forces can be…