Towards validated multiscale simulations for fusion

Perfectly matched multiscale simulations

A multiscale method is proposed. It combines the so-called bridging scale method and the perfectly matched layer method to form a robust and versatile multiscale algorithm. The method can efficiently eliminate the spurious reflections/diffractions from the artificial atomistic/continuum interface by matching the impedance at the interface of the molecular dynamic region and the perfectly matche...

Statistical field estimators for multiscale simulations.

We present a systematic approach for generating smooth and accurate fields from particle simulation data using the notions of statistical inference. As an extension to a parametric representation based on the maximum likelihood technique previously developed for velocity and temperature fields, a nonparametric estimator based on the principle of maximum entropy is proposed for particle density ...

Support for Multiscale Simulations with Molecular Dynamics

We present a reusable solution that supports users in combining single-scale models to create a multiscale application. Our approach applies several multiscale programming tools to allow users to compose multiscale applications using a graphical interface, and provides an easy way to execute these multiscale applications on international production infrastructures. Our solution extends the gene...

Multiscale Gaussian Random Fields for Cosmological Simulations

This paper describes the generation of initial conditions for numerical simulations in cosmology with multiple levels of resolution, or multiscale simulations. We present the theory of adaptive mesh refinement of Gaussian random fields followed by the implementation and testing of a computer code package performing this refinement called GRAFIC2. This package is available to the computational c...

Binning for Efficient Stochastic Multiscale Particle Simulations