Supervised parallel-in-time algorithm for long-time Lagrangian simulations of stochastic dynamics: application to hydrodynamics

DOI10.1016/J.JCP.2019.05.016zbMATH Open1452.76172arXiv1904.02137OpenAlexW2928700123MaRDI QIDQ2222255FDOQ2222255

Authors: Ansel L. Blumers, Zhen Li, George Em Karniadakis 

Publication date: 26 January 2021

Published in: Journal of Computational Physics (Search for Journal in Brave)

Abstract: Lagrangian particle methods based on detailed atomic and molecular models are powerful computational tools for studying the dynamics of microscale and nanoscale systems. However, the maximum time step is limited by the smallest oscillation period of the fastest atomic motion, rendering long-time simulations very expensive. To resolve this bottleneck, we propose a supervised parallel-in-time algorithm for stochastic dynamics (SPASD) to accelerate long-time Lagrangian particle simulations. Our method is inspired by bottom-up coarse-graining projections that yield mean-field hydrodynamic behavior in the continuum limit. Here as an example, we use the dissipative particle dynamics (DPD) as the Lagrangian particle simulator that is supervised by its macroscopic counterpart, i.e., the Navier-Stokes simulator. The low-dimensional macroscopic system (here, the Navier-Stokes solver) serves as a predictor to supervise the high-dimensional Lagrangian simulator, in a predictor-corrector type algorithm. The results of the Lagrangian simulation then correct the mean-field prediction and provide the proper microscopic details (e.g., consistent fluctuations, correlations, etc.). The unique feature that sets SPASD apart from other multiscale methods is the use of a low-fidelity macroscopic model as a predictor. The macro-model can be approximate and even inconsistent with the microscale description, but SPASD anticipates the deviation and corrects it internally to recover the true dynamics.

Full work available at URL: https://arxiv.org/abs/1904.02137

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zbMATH Keywords

multiscale modelingdissipative particle dynamicsLagrangian methodparallel-in-timeparticle simulations

Mathematics Subject Classification ID

Navier-Stokes equations for incompressible viscous fluids (76D05) Probabilistic methods, particle methods, etc. for initial value and initial-boundary value problems involving PDEs (65M75) Particle methods and lattice-gas methods (76M28)

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Cited In (5)

• Applications of time parallelization
• PPINN: parareal physics-informed neural network for time-dependent PDEs
• Multiscale parareal algorithm for long-time mesoscopic simulations of microvascular blood flow in zebrafish
• Multiscale computational framework for predicting viscoelasticity of red blood cells in aging and mechanical fatigue
• Parareal computation of stochastic differential equations with time-scale separation: a numerical convergence study

Uses Software

• MUI

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