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Direct Simulation Monte Carlo For Dense Hard Spheres

Author

Listed:
  • LIU CHAO

    (Division of Chemical and Biomolecular Engineering, School of Chemical and Biomedical Engineering, Nanyang Technological University, 639459, Singapore)

  • SANG KYU KWAK

    (School of Nano-Bioscience and Chemical Engineering, Ulsan National Institute of Science and Technology (UNIST), 50 UNIST-gil, Ulsan 689-798, Republic of Korea)

  • SANTOSH ANSUMALI

    (Engineering Mechanics Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bangalore 560 064, India)

Abstract

We propose a modified direct simulation Monte Carlo (DSMC) method, which extends the validity of DSMC from rarefied to dense system of hard spheres (HSs). To assess this adapted method, transport properties of hard-sphere (HS) systems have been predicted both at dense states as well as dilute, and we observed the excellent accuracy over existing DSMC-based algorithms including the Enskog theory. The present approach provides an intuitive and systematic way to accelerate molecular dynamics (MD) via mesoscale approach.

Suggested Citation

  • Liu Chao & Sang Kyu Kwak & Santosh Ansumali, 2014. "Direct Simulation Monte Carlo For Dense Hard Spheres," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 25(01), pages 1-8.
    • Handle: RePEc:wsi:ijmpcx:v:25:y:2014:i:01:n:s0129183113400238
    DOI: 10.1142/S0129183113400238
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