A hybrid MD-DSMC approach to direct simulation of condensation in supersonic jets

Michael I. Zeifman, Jiaqiang Zhong, Deborah A. Levin

Research output: Chapter in Book/Report/Conference proceedingConference contribution


Despite the recent progress in experimental and computational techniques, the phenomenon of condensation in freely expanding flows is still poorly understood. In this paper, a computational method directly representing the physics of the coupled cluster formation - gas expansion processes, Molecular Dynamics (MD), is used to characterize clustering in a supersonic jet expansion. The obtained results favor the scenario in which the condensation starts from dimer formation in triple collisions of monomers. Since due to the inherent MD limitations the simulated system is very small, another computational technique, direct simulation Monte Carlo (DSMC) is proposed to simulate the condensation in real-size supersonic jets. Implementation of various types of interactions among monomers and clusters in DSMC is discussed and a way to effectively characterize them via separate MD calculations is proposed. In this way, the DSMC method keeps the accuracy of the MD method, while at the same time being capable of simulating practically important systems.

Original languageEnglish (US)
Title of host publication37th AIAA Thermophysics Conference
PublisherAmerican Institute of Aeronautics and Astronautics Inc.
ISBN (Print)9781624100352
StatePublished - 2004
Externally publishedYes
Event37th AIAA Thermophysics Conference 2004 - Portland, OR, United States
Duration: Jun 28 2004Jul 1 2004

Publication series

Name37th AIAA Thermophysics Conference


Other37th AIAA Thermophysics Conference 2004
Country/TerritoryUnited States
CityPortland, OR

ASJC Scopus subject areas

  • Aerospace Engineering
  • Mechanical Engineering
  • Condensed Matter Physics


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