SCHEDULE: NOV 12-18, 2011

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A new Computational Paradigm in Multiscale Simulations: Application to Brain Blood Flow

SESSION: ACM Gordon Bell Award Finalists 2

EVENT TYPE: ACM Gordon Bell Finalist

TIME: 2:15PM - 3:00PM

SESSION CHAIR: Thom H. Dunning, Jr.

AUTHOR(S):Leopold Grinberg, Vitali Morozov, Dimitry Fedosov, Joseph Insley, Michael Papka, Kalyan Kumaran, George Karniadakis

ROOM:TCC LL4/LL5

ABSTRACT:
Interfacing atomistic-based with continuum-based simulation codes is now required in many multiscale physical and biological systems. We present the computational advances that have enabled the first multiscale simulation on 190,740 processors by coupling a high-order (spectral element) Navier-Stokes solver with a stochastic (coarse-grained) Molecular Dynamics solver based on Dissipative Particle Dynamics (DPD). The key contributions are proper interface conditions for overlapped domains, topology-aware communication, SIMDization, multiscale visualization and a new domain partitioning for atomistic solvers. We study blood flow in a patient-specific cerebrovasculature with a brain aneurysm, and analyze the interaction of blood cells with the arterial walls endowed with a glycocalyx causing thrombus formation and eventual aneurysm rupture. The macro-scale dynamics (about 3 billion unknowns) are resolved by Nektar - a spectral element solver; the micro-scale flow and cell dynamics within the aneurysm are resolved by an in-house version of DPD-LAMMPS (for an equivalent of about 100 billions molecules).

Chair/Author Details:

Thom H. Dunning, Jr. (Chair) - National Center for Supercomputing Applications

Leopold Grinberg - Brown University

Vitali Morozov - Argonne National Laboratory

Dimitry Fedosov - Forschungzentrum Juelich

Joseph Insley - Argonne National Laboratory

Michael Papka - Argonne National Laboratory

Kalyan Kumaran - Argonne National Laboratory

George Karniadakis - Brown University

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The full paper can be found in the ACM Digital Library