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Ergodic Convergence In Liquids And Glasses

Author

Listed:
  • RAYMOND D. MOUNTAIN

    (National Institute of Standards and Technology, Gaithersburg, MD 20899, USA)

  • D. THIRUMALAI

    (IPST, University of Maryland, College Park, MD 20742, USA)

Abstract

A quantitative method for estimating the time interval needed for the convergence of time averages to ensemble average values in a molecular dynamics simulation is described. The essential feature of the way of estimating the time interval is the statistical equivalence of particles in a fluid in thermodynamic equilibrium. This method is quite general and should find application in many types of simulations. The soft-sphere system is used to illustrate the method and to show that it is capable of distinguishing between effectively ergodic states and nonergodic, glassy states. Finally, some observations on possibilities for future investigations are mentioned.

Suggested Citation

  • Raymond D. Mountain & D. Thirumalai, 1990. "Ergodic Convergence In Liquids And Glasses," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 1(01), pages 77-89.
    • Handle: RePEc:wsi:ijmpcx:v:01:y:1990:i:01:n:s0129183190000049
    DOI: 10.1142/S0129183190000049
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    Cited by:

    1. Whitfield, T.W. & Bu, L. & Straub, J.E., 2002. "Generalized parallel sampling," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 305(1), pages 157-171.
    2. Gran, Joseph D. & Rundle, John B. & Turcotte, Donald L. & Holliday, James R. & Klein, William, 2011. "A damage model based on failure threshold weakening," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 390(7), pages 1269-1278.

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