retQSS: A novel methodology for efficient modeling and simulation of particle systems in reticulated geometries

• Published in: Computer physics communications Vol. 270; p. 108157
• Main Authors: Santi, Lucio, Fernández, Joaquín, Kofman, Ernesto, Castro, Rodrigo
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.01.2022
• Subjects: Discrete Event Simulation; Modelica; Particle simulation; QSS Solver; Quantized State System; Discrete Event Simulation; Modelica; Particle simulation; Quantized State System; QSS Solver
• ISSN: 0010-4655; 1879-2944
• DOI: 10.1016/j.cpc.2021.108157

This work presents retQSS, a novel methodology for efficient modeling and simulation of particle systems in reticulated meshed geometries. On the simulation side, retQSS profits from the discrete-event nature of Quantized State System (QSS) methods, which enable efficient particle tracking algorithms that are agnostic of the application domain. On the modeling side, retQSS relies on the standardized Modelica modeling language, yielding compact and elegant specifications of hybrid (continuous/discrete) dynamic systems. Combined together, these features offer a sound, general-purpose framework for modeling and simulation of particle systems. We show how the state-events that arise when particles interact with a reticulated mesh are seamlessly translated into easily tractable time-events. The latter can substantially improve simulation performance in scenarios where discontinuities dominate the computational demand. We showcase the flexibility of our approach by addressing four case studies arising from different application domains. Performance studies revealed that retQSS can perform similarly to, and even outperform, well-known domain-specific particle simulation toolkits while offering a clear and sound accuracy control interface. •Generic and rigorous approach to particle simulation in reticulated 3D geometries.•Efficient particle tracking algorithms enabled by discrete-event based QSS methods.•Concise mathematical descriptions of particle models with the Modelica language.•Performance improvements when discontinuities dominate the computational demand.•Case studies: high-energy physics, molecular dynamics, plasma flow and bird flocking.