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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 4731-4738 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We study the coverage dependence of surface diffusion for chainlike molecules by the fluctuating-bond model with a Monte Carlo dynamics. The model includes short-ranged excluded volume interactions between different chains as well as an intrachain bond angle potential to describe the chain stiffness. Our primary aim is to consider the role played by chain stiffness and the resulting memory effects in tracer diffusion, and in particular their role in the effective tracer diffusion barrier EAT extracted from the well-known Arrhenius form. We show that the memory effects in tracer diffusion become more pronounced at an increasing coverage as a result of packing requirements. Increasing the chain flexibility furthermore has the same overall effect as increasing the chain length, namely, they both increase EAT. We then analyze the influence of memory effects on EAT and find that, for a single diffusing chain, about 20% of EAT arises from temperature variations in the memory effects, while only the remaining part comes from thermally activated chain segment movements. At a finite coverage, the memory contribution in EAT is even larger and is typically about 20%–40%. Further studies with chains of different lengths lead to a conclusion that, for a single diffusing chain, the memory contribution in EAT decreases along with an increasing chain length and is almost negligible in the case of very long chains. Finally, we close this work by discussing our results in light of recent experimental work as regards surface diffusion of long DNA molecules on a biological interface. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    The European physical journal 7 (2000), S. 201-208 
    ISSN: 1434-601X
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract: Total binding energies and yrast energy spectra of three selected 1p0f–nuclei have been calculated using an unrestricted Hartree–Fock–Bogoliubov approach with symmetry–projection before the variation. The full 1p0f–shell has been used as single–particle basis and the semi–empirical FPD6 interaction as effective Hamiltonian. The results are compared to those of truncated shell–model calculations performed with the OXBASH code. In the middle of the 1p0f–shell the variational method yields energy gains up to 4.5 MeV and thus proves to be far superior than the conventional truncation methods at least if in the latter only up to about 13000 configurations for each spin–isospin combination are admitted.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Journal of statistical physics 72 (1993), S. 207-225 
    ISSN: 1572-9613
    Keywords: Surface growth ; kinetic roughening ; solid-on-solid model
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract We discuss the results of extensive numerical simulations in order to estimate the scaling exponents associated with kinetic roughening in higher dimensions, up tod=7 + l. To this end, we study the restricted solid-on-solid growth model, for which we employ a novel fitting ansatz for the spatially averaged height correlation function¯G(t)∼t 2β to estimate the scaling exponentβ. Using this method, we present a quantitative determination ofβ ind=3 + 1 and 4+1 dimensions. To check the consistency of these results, we also compute the interface width and determineβ andx from it independently. Our results are in disagreement with all existing theories and conjectures, but in four dimensions they are in good agreement with recent simulations of Forrest and Tang for a different growth model. Above five dimensions, we use the time dependence of the width to obtain lower bound estimates forβ. Within the accuracy of our data, we find no indication of an upper critical dimension up tod = 7 + 1.
    Type of Medium: Electronic Resource
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