IDEAS home Printed from https://ideas.repec.org/a/wsi/ijmpcx/v18y2007i09ns0129183107011418.html
   My bibliography  Save this article

A Generalized Cell Method For Hard Disk Molecular Dynamics Simulation Of Polydisperse Systems

Author

Listed:
  • MEVLUT BULUT

    (Department of Physics, University of Alabama at Birmingham, Birmingham, AL 35294-1170, USA)

  • RENATO P. CAMATA

    (Department of Physics, University of Alabama at Birmingham, Birmingham, AL 35294-1170, USA)

Abstract

Hard Disk Molecular Dynamics (HDMD) techniques often exhibit significant loss in calculation speed when applied to the simulation of highly polydisperse particle systems. The collision rate of the reported algorithms may be lower by as much as two orders of magnitude if compared to the collision rate of a monodisperse system of the same number of particles. This is mainly due to the fact that the rectangular cells in the simulation domain used in HDMD methods must meet a certain size criterion. In this paper, we introduce a cell technique that removes the requirement on the cell size enabling simulation of particles with sizes much larger than the cell size. This approach improves the collision rates in the simulation of tested polydisperse systems by factors ranging from 5.5 to 57 depending on the size distribution of the particle population simulated. This may enable the simulation of grand canonical systems in which the size and the number of particles can change throughout the simulation. The technique is compatible with the simulation of disk-like as well as irregularly shaped particles and can be extended to three dimensions.

Suggested Citation

  • Mevlut Bulut & Renato P. Camata, 2007. "A Generalized Cell Method For Hard Disk Molecular Dynamics Simulation Of Polydisperse Systems," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 18(09), pages 1407-1416.
    • Handle: RePEc:wsi:ijmpcx:v:18:y:2007:i:09:n:s0129183107011418
    DOI: 10.1142/S0129183107011418
    as

    Download full text from publisher

    File URL: http://www.worldscientific.com/doi/abs/10.1142/S0129183107011418
    Download Restriction: Access to full text is restricted to subscribers
    File URL: https://libkey.io/10.1142/S0129183107011418?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    As the access to this document is restricted, you may want to search for a different version of it.

    References listed on IDEAS

    as
    1. anonymous, 1989. "Appointment of new members, January 11, 1989," Federal Reserve Bulletin, Board of Governors of the Federal Reserve System (U.S.), issue Mar, pages 148-148.
    2. N/A, 1996. "Acknowledgement of Referees, 1995," Urban Studies, Urban Studies Journal Limited, vol. 33(3), pages 603-608, April.
    3. repec:dgr:rugsom:96a09 is not listed on IDEAS
    4. Shah Rekha N & Ramachandran K, 1989. "JIT Implementation: Outlines of a Strategy," IIMA Working Papers WP1989-06-01_00881, Indian Institute of Management Ahmedabad, Research and Publication Department.
    5. anonymous, 1996. "NationsBank Neighborhood Program," Banking and Community Perspectives, Federal Reserve Bank of Dallas, issue Apr, pages 1-2.
    6. anonymous, 1989. "Announcement January 30, 1989," Federal Reserve Bulletin, Board of Governors of the Federal Reserve System (U.S.), issue Mar, pages 150-151.
    7. anonymous, 1989. "Amendment effective June 7, 1989," Federal Reserve Bulletin, Board of Governors of the Federal Reserve System (U.S.), issue Aug, pages 566-567569-.
    8. Unknown, 1989. "Task Force Report: Major Conclusions," Choices: The Magazine of Food, Farm, and Resource Issues, Agricultural and Applied Economics Association, vol. 4(4), pages 1-2.
    9. anonymous, 1996. "Global linkages to the Midwest economy," Assessing the Midwest Economy 6, Federal Reserve Bank of Chicago.
    10. Boersma, Jacques S.K.Th. & Stegwee, Robert A., 1996. "Exploring the issues in knowledge management," Research Report 96A09, University of Groningen, Research Institute SOM (Systems, Organisations and Management).
    11. N/A, 1989. "Prime Minister Rajiv Gandhi's Visit to China," China Report, , vol. 25(2), pages 187-200, May.
    12. anonymous, 1989. "Appointment of new members, January 14, 1989," Federal Reserve Bulletin, Board of Governors of the Federal Reserve System (U.S.), issue Mar, pages 148-150.
    13. anonymous, 1996. "Risk-management plans must make the grade," Financial Update, Federal Reserve Bank of Atlanta, vol. 9(Apr), pages 1-2.
    Full references (including those not matched with items on IDEAS)

    Most related items

    These are the items that most often cite the same works as this one and are cited by the same works as this one.
    1. Y. Kadioglu & O. Üzengi Aktürk & M. Tomak, 2014. "Electronic and geometric structure ofAuxCuyclusters studied by density functional theory," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 25(06), pages 1-19.
    2. Yu-Liang Mao & Xiao-Hong Yan & Yang Xiao & Jue-Xian Cao & Jun Xiang, 2005. "First-Principles Study Of Doped Single Wall Carbon Nanotubes," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 16(09), pages 1363-1369.
    3. Waqas Mahmood & Qing Zhao, 2014. "First principles calculations on structural, elastic, acoustic and optical properties of fluorite phaseTiO2under pressure," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 25(07), pages 1-13.
    4. M. Samah & B. Moula, 2011. "AB INITIOSTUDY OF STRUCTURAL STABILITY AND MAGNETIC PROPERTIES OFCon(n = 2 - 10): A STUDY BASED ON PSEUDOPOTENTIALS DFT," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 22(04), pages 359-369.
    5. V. Alvin Shubert & Steven P. Lewis, 2012. "Size-Dependence Of Infrared Spectra In Niobium Carbide Nanocrystals," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 23(08), pages 1-11.
    6. M. Samah & B. Boughiden, 2010. "STRUCTURES, ELECTRONIC AND MAGNETIC PROPERTIES OFC20FULLERENES DOPED TRANSITION METAL ATOMSM@C20(M=Fe,Co,Ti,V)," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 21(12), pages 1469-1477.
    7. N. Zare Dehnavi & M. Payami, 2008. "FIRST-PRINCIPLES STUDY OF THE EFFECTS OF GOLD ADSORPTION ON THEAl(001)SURFACE PROPERTIES," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 19(10), pages 1563-1579.
    8. Jessica Mueller & Florian B. Zapkau & Christian Schwens, 2014. "Impact of Prior Entrepreneurial Exposure on Entrepreneurial Intention — Cross-Cultural Evidence," Journal of Enterprising Culture (JEC), World Scientific Publishing Co. Pte. Ltd., vol. 22(03), pages 251-282.
    9. Giuseppe Schinaia, 2005. "Empirical Data And Mathematical Structures In The Epidemic Modeling Of Parenteral Hepatitis In Italy," Advances in Complex Systems (ACS), World Scientific Publishing Co. Pte. Ltd., vol. 8(01), pages 33-58.
    10. repec:ags:unassr:235073 is not listed on IDEAS
    11. Kamel Mellahi & Adrian Wilkinson, 2008. "A Study Of The Association Between Downsizing And Innovation Determinants," International Journal of Innovation Management (ijim), World Scientific Publishing Co. Pte. Ltd., vol. 12(04), pages 677-698.
    12. Yigezu, Yigezu A. & Alexander, Corinne E. & Preckel, Paul V. & Maier, D.E. & Woloshuk, C.P. & Mason, L.J. & Lawrence, J. & Moog, D.J., 2008. "Optimal management of molds in stored corn," Agricultural Systems, Elsevier, vol. 98(3), pages 220-227, October.
    13. Wesselink B., 1996. "Monitoring guidelines for semi-formal financial institutions active in small enterprise finance," ILO Working Papers 993138863402676, International Labour Organization.
    14. Abreu, Denise A. & Riberas, Zulma T., 2008. "General Overview of the NASS Objective Yield and Objective Measurement Programs," NASS Research Reports 235073, United States Department of Agriculture, National Agricultural Statistics Service.
    15. Agata Gemzik-Salwach, 2002. "Measurement of the Market Risk- the Value at Risk Method," Ekonomia journal, Faculty of Economic Sciences, University of Warsaw, vol. 8.
    16. Clifford Winston, 2008. "The Efficacy of Information Policy: A Review of Archon Fung, Mary Graham, and David Weil's Full Disclosure: The Perils and Promise of Transparency," Journal of Economic Literature, American Economic Association, vol. 46(3), pages 704-717, September.
    17. Ellen Dulberger, 1993. "Sources of Price Decline in Computer Processors: Selected Electronic Components," NBER Chapters, in: Price Measurements and Their Uses, National Bureau of Economic Research, Inc.
    18. Hare, Stephanie, 2016. "For your eyes only: U.S. technology companies, sovereign states, and the battle over data protection," Business Horizons, Elsevier, vol. 59(5), pages 549-561.
    19. Hastings, S. & Coleman M., 1992. "Women workers and unions in Europe: an analysis by industrial sector," ILO Working Papers 992921933402676, International Labour Organization.
    20. Dimitrios Koumparoulis, 2011. "The Proportionality Hypothesis in Capital Theory: an Assessment of the Literature," EuroEconomica, Danubius University of Galati, issue 27, pages 27-39, February.
    21. J. Pope & R. Fayle, 1993. "The Compliance Costs of Taxation in Australia and Tax Simplification," Economics Discussion / Working Papers 93-25, The University of Western Australia, Department of Economics.

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:wsi:ijmpcx:v:18:y:2007:i:09:n:s0129183107011418. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    If CitEc recognized a bibliographic reference but did not link an item in RePEc to it, you can help with this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Tai Tone Lim (email available below). General contact details of provider: http://www.worldscinet.com/ijmpc/ijmpc.shtml .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.