Reduced-order hybrid multiscale method combining the molecular dynamics and the discontinuous-galerkin method
Visualitza/Obre
Estadístiques de LA Referencia / Recolecta
Inclou dades d'ús des de 2022
Cita com:
hdl:2117/190256
Tipus de documentText en actes de congrés
Data publicació2017
EditorCIMNE
Condicions d'accésAccés obert
Tots els drets reservats. Aquesta obra està protegida pels drets de propietat intel·lectual i
industrial corresponents. Sense perjudici de les exempcions legals existents, queda prohibida la seva
reproducció, distribució, comunicació pública o transformació sense l'autorització del titular dels drets
Abstract
We present a new reduced-order hybrid multiscale method to simulate com-
plex fluids. continuum and molecular descriptions.
We follow the framework of the heterogeneous multi-scale method (HMM) that makes use of
the scale separation into macro- and micro-levels. On the macro-level, the governing equations of
the incompressible flow are the continuity and momentum equations. The equations are
solved using a high-order accurate discontinuous Galerkin Finite Element Method (dG) and
implemented in the BoSSS code. The missing information on the macro-level is represented
by the unknown stress tensor evaluated by means of the molecular dynam- ics (MD) simulations on
the micro-level. We shear the microscopic system by applying Lees-Edwards boundary
conditions and either an isokinetic or Lowe-Andersen thermostat. The data obtained from the MD
simulations underlie large stochastic errors that can be controlled by means of the least-square
approximation. In order to reduce a large number of computationally expensive MD runs, we apply
the reduced order approach. Nume al
experiments confirm the robustness of our newly developed hybrid MD-dG method.
ISBN978-84-946909-2-1
Fitxers | Descripció | Mida | Format | Visualitza |
---|---|---|---|---|
Coupled-2017-04-Reduced-order hybrid.pdf | 909,3Kb | Visualitza/Obre |