Multiscale Universal Interface: A concurrent framework for coupling heterogeneous solvers

Journal Article · Tue Sep 15 00:00:00 EDT 2015 · Journal of Computational Physics

DOI:https://doi.org/10.1016/J.JCP.2015.05.004· OSTI ID:22465652

Tang, Yu-Hang ^[1]; Kudo, Shuhei ^[2]; Bian, Xin ^[1]; Li, Zhen ^[1]

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1. Division of Applied Mathematics, Brown University, Providence, RI (United States)
2. Graduate School of System Informatics, Kobe University, 1-1 Rokkodai-cho, Nada-ku, Kobe, 657-8501 (Japan)

Graphical abstract: - 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 stochastic Dissipative Particle Dynamics (DPD) method to study the effect of surface grafting on the hydrodynamics properties on the surface. 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)

• OSTI ID: 22465652
• Journal Information: Journal of Computational Physics, Vol. 297; Other Information: Copyright (c) 2015 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9991
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
97 MATHEMATICAL METHODS AND COMPUTING
COMPUTERIZED SIMULATION
COUETTE FLOW
FINITE ELEMENT METHOD
FLUIDS
HEAT TRANSFER
HYDRODYNAMICS
KINETIC EQUATIONS
PARTICLES
PROGRAMMING
SAMPLERS
SOLIDS
SPATIAL RESOLUTION
STOCHASTIC PROCESSES
SURFACES