Trapping dynamics of diindenoperylene (DIP) in self-assembled monolayers using molecular simulation

All-atom Molecular Dynamics simulation methods employing a well-tested intermolecular potential model, MM3 (Molecular Mechanics 3), demonstrate the propensity for diindenoperylene (DIP) molecules to insert between molecules of a self-assembled monolayer (SAM) during a deposition process intended to grow a thin film of this organic semiconductor molecule onto the surface of self-assembled monolayers. The tendency to insert between SAM molecules is fairly prevalent at normal growth temperatures and conditions, but is most strongly dependent on the density and the nature of the SAM. We posit the existence of an optimal density to favor surface adsorption over insertion for this system. DIP is less likely to insert in fluorinated SAMs, like FOTS (fluorooctatrichlorosilane), than its unfluorinated analog, OTS (octatrichlorosilane). It is also less likely to insert between shorter SAMs (e.g., less insertion in OTS than ODTS (octadecyltrichlorosilane)). Very short length, surface-coating molecules, like HDMS (hexamethyldisilazane), are more likely to scatter energetic incoming DIP molecules with little insertion on first impact (depending on the incident energy of the DIP molecule). Grazing angles of incidence of the depositing molecules generally favor surface adsorption, at least in the limit of low coverage, but are shown to be dependent on the nature of the SAM. The validity of these predictions is confirmed by comparison of the predicted sticking coefficients of DIP at a variety of incident energies on OTS, ODTS, and FOTS SAMs with results obtained experimentally by Desai et al. (2010) [23]. The simulation predictions of the tendency of DIP to insert can be explained, in large part, in terms of binding energies between SAM and DIP molecules. However, we note that entropic and stochastic events play a role in the deposition outcomes. Preliminary studies of multiple deposition events, emulating growth, show an unexpected diffusion of DIP molecules inserted within the SAM matrix in a clear attempt of the DIP molecules to aggregate together.     

Superfast motion of catalytic microjet engines at physiological temperature

There is a great interest in reducing the toxicity of the fuel used to self-propel artificial nanomachines. Therefore, a method to increase the efficiency of the conversion of chemicals into mechanical energy is desired. Here, we employed temperature control to increase the efficiency of microjet engines while simultaneously reducing the amount of peroxide fuel needed. At physiological temperatures, i.e. 37 °C, only 0.25% H(2)O(2) is needed to propel the microjets at 140 μm s(-1), which corresponds to three body lengths per second. In addition, at 5% H(2)O(2), the microjets acquire superfast speeds, reaching 10 mm s(-1). The dynamics of motion is altered when the speed is increased; i.e., the motion deviates from linear to curvilinear trajectories. The observations are modeled empirically.     

Performance analysis of single stage kanban controlled production systems using parametric decomposition

We present a new approach that permits efficient performance analysis of kanban systems with general demand processes, material arrival processes, and service times. The approach is based on parametric characterization of the traffic processes (arrival and departure) in the network and uses two-moment approximations to estimate performance measures at individual stations. We derive traffic flow constraints that are particular to closed queuing networks with synchronization stations and use these to establish relationships between the parameters characterizing arrival and departure processes at the stations in the network. The resultant set of non-linear equations is solved to estimate network performance measures. Numerical studies show that the approach is not only fast but also reasonably accurate when compared to simulation. These studies also provide insights with respect to the impact of different types of variability on the performance of a kanban system. This work also provides a fundamental building block that can be used in the analysis of multi-stage kanban systems. AMS Subject Classifications 68M20, 60K20, 90B05, 90B30     

Study of cosmic ray diurnal variation on a day-to-day basis

From a careful examination of the diurnal variation of cosmic ray intensity at high energies and the interplanetary field characteristics, the average characteristics of diurnal variation were recently explained by us in terms of a balance between outward convection and field aligned diffusion, the latter arising out of a positive radial density gradient. In this paper, we extend this new concept to explain the large variability observed in the diurnal variation on a day-to-day basis and further demonstrate that the measurement of diurnal anisotropy characteristic of cosmic ray particles on a day-to-day basis can be used directly to infer the nature and scale sizes of interplanetary field parameters. Comparing with the magnetic field vector, we show that this simple concept holds good on more than 80% of days. On the rest 20% of days which have a predominant morning maxima, the diurnal anisotropy characteristics seem to indicate the presence of a significant component of transverse diffusion current in addition to the normal convection and diffusion flow. Such days are found to be present in the form of trains of consecutive days and are found to be associated with abrupt changes in the interplanetary field direction having scale sizes >4 hr. The value ofK _⊥/K _‖ which is normally about ⩽0.05 is found to be ≈1.0 on non-field aligned days.     

On the Non-k-Separability of Dicke Class of States and N-Qudit W States

In this paper, we present the separability criteria to identify non-k-separability and genuine multipartite entanglement in mixed multipartite states using elements of density matrices. Our criteria can detect the non-k-separability of Dicke class of states, anti W states and mixtures thereof and higher dimensional W class of states. We then investigate the performance of our criteria by considering N-qubit Dicke states with arbitrary excitations added with white noise and mixture of N-qudit W state with white noise. We also study the robustness of our criteria against white noise. Further, we demonstrate that our criteria are experimentally implementable by means of local observables such as Pauli matrices and generalized Gell-Mann matrices.     

Waveguiding and photoluminescence in Er-doped Ta2O5 planar waveguides

The optimization of erbium-doped Ta₂O₅ thin film waveguides deposited by magnetron sputtering onto thermally oxidized silicon wafer is described. Optical constants of the film were determined by ellipsometry. For the slab waveguides, background losses below 0.4 dB/cm at 633 nm have been obtained before post-annealing. The samples, when pumped at 980 nm yielded a broad photoluminescence spectrum (FWHM∼50 nm) centred at 1534 nm, corresponding to ⁴I_13/2-⁴I_15/2 transition of Er³⁺ ion. The samples were annealed up to 600 °C and both photoluminescence power and fluorescence lifetime increase with post-annealing temperature and a fluorescence lifetime of 2.4 ms was achieved, yielding promising results for compact waveguide amplifiers.     

Scanning photocurrent microscopy of lateral organic bulk heterojunctions

Scanning confocal photocurrent microscopy has been used to characterize carrier collection efficiency in lateral bulk heterojunction devices. By analyzing the photocurrent mappings within these devices, the lateral extents of the space charge regions has been measured and reported. Modulation via white light bias or increased voltage bias is also shown to increase the size of the space charge regions.     

Analysis of a Fork/Join Synchronization Station with Inputs from Coxian Servers in a Closed Queuing Network

Fork/join stations are commonly used to model the synchronization constraints in queuing models of computer networks, fabrication/assembly systems and material control strategies for manufacturing systems. This paper presents an exact analysis of a fork/join station in a closed queuing network with inputs from servers with two-phase Coxian service distributions, which models a wide range of variability in the input processes. The underlying queue length and departure processes are analyzed to determine performance measures such as throughput, distributions of the queue length and inter-departure times from the fork/join station. The results show that, for certain parameter settings, variability in the arrival processes has a significant impact on system performance. The model is also used to study the sensitivity of performance measures such as throughput, mean queue lengths, and variability of inter-departure times for a wide range of input parameters and network populations.