Multiscale Model Approach for Magnetization Dynamics Simulations

Simulations of magnetization dynamics in a multiscale environment enable rapid evaluation of the Landau-Lifshitz-Gilbert equation in a mesoscopic sample with nanoscopic accuracy in areas where such accuracy is required. We have developed a multiscale magnetization dynamics simulation approach that can be applied to large systems with spin structures that vary locally on small length scales. To implement this, the conventional micromagnetic simulation framework has been expanded to include a multiscale solving routine. The software selectively simulates different regions of a ferromagnetic sample according to the spin structures located within in order to employ a suitable discretization and use either a micromagnetic or an atomistic model. To demonstrate the validity of the multiscale approach, we simulate the spin wave transmission across the regions simulated with the two different models and different discretizations. We find that the interface between the regions is fully transparent for spin waves with frequency lower than a certain threshold set by the coarse scale micromagnetic model with no noticeable attenuation due to the interface between the models. As a comparison to exact analytical theory, we show that in a system with Dzyaloshinskii-Moriya interaction leading to spin spiral, the simulated multiscale result is in good quantitative agreement with the analytical calculation

Proper Orthogonal Decomposition Closure Models For Turbulent Flows: A Numerical Comparison

This paper puts forth two new closure models for the proper orthogonal decomposition reduced-order modeling of structurally dominated turbulent flows: the dynamic subgrid-scale model and the variational multiscale model. These models, which are considered state-of-the-art in large eddy simulation, together with the mixing length and the Smagorinsky closure models, are tested in the numerical simulation of a 3D turbulent flow around a circular cylinder at Re = 1,000. Two criteria are used in judging the performance of the proper orthogonal decomposition reduced-order models: the kinetic energy spectrum and the time evolution of the POD coefficients. All the numerical results are benchmarked against a direct numerical simulation. Based on these numerical results, we conclude that the dynamic subgrid-scale and the variational multiscale models perform best.Comment: 28 pages, 6 figure

Coupled continuum hydrodynamics and molecular dynamics method for multiscale simulation

We present a new hybrid methodology for carrying out multiscale simulations of flow problems lying between continuum hydrodynamics and molecular dynamics, where macro/micro lengthscale separation exists only in one direction. Our multiscale method consists of an iterative technique that couples mass and momentum flux between macro and micro domains, and is tested on a converging/diverging nanochannel case containing flow of a simple Lennard-Jones liquid. Comparisons agree well with a full MD simulation of the same test case

Multiscale simulation strategies and mesoscale modelling of gas and liquid flows

This paper was presented at the 2nd Micro and Nano Flows Conference (MNF2009), which was held at Brunel University, West London, UK. The conference was organised by Brunel University and supported by the Institution of Mechanical Engineers, IPEM, the Italian Union of Thermofluid dynamics, the Process Intensification Network, HEXAG - the Heat Exchange Action Group and the Institute of Mathematics and its Applications.This paper presents a review of multiscale simulation strategies for the modelling of micro- and nanoscale flows. These have been developed in the last two decades in an attempt to bridge the application gap between molecular and continuum simulation methods preventing the simulation of many micro- and nanofluidic devices. The paper is focused on hybrid molecular-continuum methods and reviews different coupling strategies, including geometrical decomposition in conjunction with state- and flux coupling, pointwise coupling, the heterogeneous multiscale method and the equation free approach. The different applications of these methods are briefly discussed

Towards Multi-Scale Modeling of Carbon Nanotube Transistors

Multiscale simulation approaches are needed in order to address scientific and technological questions in the rapidly developing field of carbon nanotube electronics. In this paper, we describe an effort underway to develop a comprehensive capability for multiscale simulation of carbon nanotube electronics. We focus in this paper on one element of that hierarchy, the simulation of ballistic CNTFETs by self-consistently solving the Poisson and Schrodinger equations using the non-equilibrium Greens function (NEGF) formalism. The NEGF transport equation is solved at two levels: i) a semi-empirical atomistic level using the pz orbitals of carbon atoms as the basis, and ii) an atomistic mode space approach, which only treats a few subbands in the tube-circumferential direction while retaining an atomistic grid along the carrier transport direction. Simulation examples show that these approaches describe quantum transport effects in nanotube transistors. The paper concludes with a brief discussion of how these semi-empirical device level simulations can be connected to ab initio, continuum, and circuit level simulations in the multi-scale hierarchy

Charge Transport in Polymer Ion Conductors: a Monte Carlo Study

Diffusion of ions through a fluctuating polymeric host is studied both by Monte Carlo simulation of the complete system dynamics and by dynamic bond percolation (DBP) theory. Comparison of both methods suggests a multiscale-like approach for calculating the diffusion coefficients of the ion

On Multiscale Methods in Petrov-Galerkin formulation

In this work we investigate the advantages of multiscale methods in Petrov-Galerkin (PG) formulation in a general framework. The framework is based on a localized orthogonal decomposition of a high dimensional solution space into a low dimensional multiscale space with good approximation properties and a high dimensional remainder space{, which only contains negligible fine scale information}. The multiscale space can then be used to obtain accurate Galerkin approximations. As a model problem we consider the Poisson equation. We prove that a Petrov-Galerkin formulation does not suffer from a significant loss of accuracy, and still preserve the convergence order of the original multiscale method. We also prove inf-sup stability of a PG Continuous and a Discontinuous Galerkin Finite Element multiscale method. Furthermore, we demonstrate that the Petrov-Galerkin method can decrease the computational complexity significantly, allowing for more efficient solution algorithms. As another application of the framework, we show how the Petrov-Galerkin framework can be used to construct a locally mass conservative solver for two-phase flow simulation that employs the Buckley-Leverett equation. To achieve this, we couple a PG Discontinuous Galerkin Finite Element method with an upwind scheme for a hyperbolic conservation law