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This communication presents a molecular dynamics simulation study of a bilayer consisting of 128 dioleoyl-sn-glycero-3-phosphocholine molecules, which focusses on the center-of-mass diffusion of the lipid molecules parallel to the membrane plane. The analysis of the simulation results is performed within the framework of the generalized Langevin equation and leads to a consistent picture of subdiffusion. The mean square displacement of the lipid molecules evolves as ∝ t(α), with α between 0.5 and 0.6, and the fractional diffusion coefficient is close to the experimental value for a similar system obtained by fluorescence correlation spectroscopy. We show that the long-time tails of the lateral velocity autocorrelation function and the associated memory function agree well with exact results which have been recently derived by asymptotic analysis [G. Kneller, J. Chem. Phys. 134, 224106 (2011)]. In this context, we define characteristic time scales for these two quantities. 相似文献
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Kneller GR 《The Journal of chemical physics》2011,134(22):224106
The paper describes an approach to anomalous diffusion within the framework of the generalized Langevin equation. Using a Tauberian theorem for Laplace transforms due to Hardy, Littlewood, and Karamata, generalized Kubo relations for the relevant transport coefficients are derived from the asymptotic form of the mean square displacement. In a second step conditions for anomalous diffusion are derived for the asymptotic forms of the velocity autocorrelation function and the associated memory function. Both spatially unconfined and confined diffusion processes are considered. The results are illustrated with semi-analytical examples. 相似文献
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Nikky Kortbeek Aleida Braaksma Ferry HF Smeenk Piet JM Bakker Richard J Boucherie 《The Journal of the Operational Research Society》2015,66(7):1061-1076
The design and operations of inpatient care facilities are typically largely historically shaped. A better match with the changing environment is often possible, and even inevitable due to the pressure on hospital budgets. Effectively organizing inpatient care requires simultaneous consideration of several interrelated planning issues. Also, coordination with upstream departments like the operating theatre and the emergency department is much-needed. We present a generic analytical approach to predict bed census on nursing wards by hour, as a function of the Master Surgical Schedule and arrival patterns of emergency patients. Along these predictions, insight is gained on the impact of strategic (ie, case mix, care unit size, care unit partitioning), tactical (ie, allocation of operating room time, misplacement rules), and operational decisions (ie, time of admission/discharge). The method is used in the Academic Medical Center Amsterdam as a decision-support tool in a complete redesign of the inpatient care operations. 相似文献
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