Conformation and dynamics of a self-avoiding sheet: Bond-fluctuation computer simulation |
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| Authors: | Ras B. Pandey Kelly L. Anderson Hendrik Heinz B.L. Farmer |
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| Affiliation: | 1. Department of Physics and Astronomy, University of Southern Mississippi, Hattiesburg, Mississippi 39406-5046;2. Materials and Manufacturing Directorate, Air Force Research Laboratory, Wright Patterson Air Force Base, Ohio 45433;3. Department of Mechanical and Materials Engineering, Wright State University, Dayton, Ohio 45435 |
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| Abstract: | The conformation and dynamics of a self-avoiding sheet are analyzed by the bond-fluctuating Monte Carlo method. The mean-square displacement of the center of mass of the sheet and that of its center node (R ) show asymptotic diffusive behavior. The segmental dynamics in short and long time regimes can be deduced from the motion of the center node described by the power law  with μ ≃ 0.13 and ν ≃ ½, where C1 and C2 are fitting constants and t is the time. The radius of gyration, Rg, scales with the linear size, Ls, of the sheet as Rg ≃ Nγ with γ ≃ ½ and N = L , and this is consistent with the conformational analysis of open tethered membranes with excluded-volume constraints. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 43: 1041–1046, 2005 |
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| Keywords: | Monte Carlo simulation nanolayers membranes diffusion |
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