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Molecular dynamics simulations of self-avoiding tethered membranes with attractive interactions: Search for a crumpled phase

Gary S. Grest and Irena B. Petsche
Phys. Rev. E 50, R1737(R) – Published 1 September 1994
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Abstract

The equilibrium structure of closed self-avoiding tethered vesicles with attractive interactions is investigated by molecular dynamics simulations. The vesicles are constructed by connecting linear chains of n=4 or 8 monomers to form closed membranes with as many as 16 002 monomers. For n=4, the transition from a high-temperature flat phase to a low-temperature collapsed phase is discontinuous, with no evidence for an intermediate crumpled phase. However, for n=8 the transition is either continuous or very weakly first order. Assuming the transition is continuous, a scaling analysis suggests that at the transition there is an intermediate state which has a fractal dimension df≃2.4, somewhat smaller than but close to the value predicted by the Flory theory for a crumpled membrane.

    DOI:https://doi.org/10.1103/PhysRevE.50.R1737

    ©1994 American Physical Society

    Authors & Affiliations

    Gary S. Grest

    • Corporate Research Science Laboratories, Exxon Research and Engineering Company, Annandale, New Jersey 08801

    Irena B. Petsche

    • Exxon Engineering Technology Department, Exxon Research and Engineering Company, Florham Park, New Jersey 07932

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    Issue

    Vol. 50, Iss. 3 — September 1994

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