Asynchronous Event-Driven Particle Algorithms

Journal Article · Thu Aug 30 00:00:00 EDT 2007 · SIMULATION: Transactions of the Society for Modeling and Simulation International, vol. 85, no. 4, January 4, 2009, pp. 229-242

DOI:https://doi.org/10.1109/PADS.2007.15· OSTI ID:957181

Donev, A

We present, in a unifying way, the main components of three asynchronous event-driven algorithms for simulating physical systems of interacting particles. The first example, hard-particle molecular dynamics (MD), is well-known. We also present a recently-developed diffusion kinetic Monte Carlo (DKMC) algorithm, as well as a novel stochastic molecular-dynamics algorithm that builds on the Direct Simulation Monte Carlo (DSMC). We explain how to effectively combine event-driven and classical time-driven handling, and discuss some promises and challenges for event-driven simulation of realistic physical systems.

• Research Organization: Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
• Sponsoring Organization: USDOE
• DOE Contract Number: W-7405-ENG-48
• OSTI ID: 957181
• Report Number(s): UCRL-JRNL-234181; TRN: US201007%%601
• Journal Information: SIMULATION: Transactions of the Society for Modeling and Simulation International, vol. 85, no. 4, January 4, 2009, pp. 229-242, Vol. 85, Issue 4
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ALGORITHMS
DIFFUSION
KINETICS
SIMULATION