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Title: Multiscale Universal Interface: A concurrent framework for coupling heterogeneous solvers

Abstract

Concurrently coupled numerical simulations using heterogeneous solvers are powerful tools for modeling multiscale phenomena. However, major modifications to existing codes are often required to enable such simulations, posing significant difficulties in practice. In this paper we present a C++ library, i.e. the Multiscale Universal Interface (MUI), which is capable of facilitating the coupling effort for a wide range of multiscale simulations. The library adopts a header-only form with minimal external dependency and hence can be easily dropped into existing codes. A data sampler concept is introduced, combined with a hybrid dynamic/static typing mechanism, to create an easily customizable framework for solver-independent data interpretation. The library integrates MPI MPMD support and an asynchronous communication protocol to handle inter-solver information exchange irrespective of the solvers' own MPI awareness. Template metaprogramming is heavily employed to simultaneously improve runtime performance and code flexibility. We validated the library by solving three different multiscale problems, which also serve to demonstrate the flexibility of the framework in handling heterogeneous models and solvers. In the first example, a Couette flow was simulated using two concurrently coupled Smoothed Particle Hydrodynamics (SPH) simulations of different spatial resolutions. In the second example, we coupled the deterministic SPH method with the stochasticmore » Dissipative Particle Dynamics (DPD) method to study the effect of surface grafting on the hydrodynamics properties on the surface. Finally, in the third example, we consider conjugate heat transfer between a solid domain and a fluid domain by coupling the particle-based energy-conserving DPD (eDPD) method with the Finite Element Method (FEM).« less

Authors:
ORCiD logo [1];  [2]; ORCiD logo [1]; ORCiD logo [1];  [3]
  1. Brown Univ., Providence, RI (United States). Division of Applied Mathematics
  2. Kobe Univ., Kobe (Japan). Graduate School of System Informatics
  3. Brown Univ., Providence, RI (United States). Division of Applied Mathematics; Pacific Northwest National Lab., Richland, WA (United States). Collaboratory on Mathematics for Mesoscopic Modeling of Materials
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1565300
Alternate Identifier(s):
OSTI ID: 1249987
Grant/Contract Number:  
FA9550-12-1-0463
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Computational Physics
Additional Journal Information:
Journal Volume: 297; Journal Issue: C; Journal ID: ISSN 0021-9991
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
97 MATHEMATICS AND COMPUTING; computer science; physics; multiscale modeling; concurrent coupling; multiphysics simulation; energy-conserving DPD; SPH; FEM; programming framework

Citation Formats

Tang, Yu-Hang, Kudo, Shuhei, Bian, Xin, Li, Zhen, and Karniadakis, George Em. Multiscale Universal Interface: A concurrent framework for coupling heterogeneous solvers. United States: N. p., 2015. Web. doi:10.1016/j.jcp.2015.05.004.
Tang, Yu-Hang, Kudo, Shuhei, Bian, Xin, Li, Zhen, & Karniadakis, George Em. Multiscale Universal Interface: A concurrent framework for coupling heterogeneous solvers. United States. doi:https://doi.org/10.1016/j.jcp.2015.05.004
Tang, Yu-Hang, Kudo, Shuhei, Bian, Xin, Li, Zhen, and Karniadakis, George Em. Tue . "Multiscale Universal Interface: A concurrent framework for coupling heterogeneous solvers". United States. doi:https://doi.org/10.1016/j.jcp.2015.05.004. https://www.osti.gov/servlets/purl/1565300.
@article{osti_1565300,
title = {Multiscale Universal Interface: A concurrent framework for coupling heterogeneous solvers},
author = {Tang, Yu-Hang and Kudo, Shuhei and Bian, Xin and Li, Zhen and Karniadakis, George Em},
abstractNote = {Concurrently coupled numerical simulations using heterogeneous solvers are powerful tools for modeling multiscale phenomena. However, major modifications to existing codes are often required to enable such simulations, posing significant difficulties in practice. In this paper we present a C++ library, i.e. the Multiscale Universal Interface (MUI), which is capable of facilitating the coupling effort for a wide range of multiscale simulations. The library adopts a header-only form with minimal external dependency and hence can be easily dropped into existing codes. A data sampler concept is introduced, combined with a hybrid dynamic/static typing mechanism, to create an easily customizable framework for solver-independent data interpretation. The library integrates MPI MPMD support and an asynchronous communication protocol to handle inter-solver information exchange irrespective of the solvers' own MPI awareness. Template metaprogramming is heavily employed to simultaneously improve runtime performance and code flexibility. We validated the library by solving three different multiscale problems, which also serve to demonstrate the flexibility of the framework in handling heterogeneous models and solvers. In the first example, a Couette flow was simulated using two concurrently coupled Smoothed Particle Hydrodynamics (SPH) simulations of different spatial resolutions. In the second example, we coupled the deterministic SPH method with the stochastic Dissipative Particle Dynamics (DPD) method to study the effect of surface grafting on the hydrodynamics properties on the surface. Finally, in the third example, we consider conjugate heat transfer between a solid domain and a fluid domain by coupling the particle-based energy-conserving DPD (eDPD) method with the Finite Element Method (FEM).},
doi = {10.1016/j.jcp.2015.05.004},
journal = {Journal of Computational Physics},
number = C,
volume = 297,
place = {United States},
year = {2015},
month = {9}
}

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