Effects produced by metal-coated near-field probes on the performance of silicon waveguides and resonators

We study the effects of metal-coated fiber near-field probes on the performance of nanophotonic devices. Employing a heterodyne near-field scanning optical microscope and analyzing transmission characteristics, we find that a metal-coated probe can typically introduce a 3 dB intensity loss and a 0.2 rad phase shift during characterization of a straight waveguide made in a silicon-on-insulator system. In resonant nanophotonic structures such as a 5 mum radius microring resonator, we demonstrate that the probe induces a 1 nm shift in resonant wavelength and decreases the resonator quality factor, Q, from 1100 to 480.     

Effect of pressure on gas permeability coefficients. A new application of “free volume” theory

The present work is a continuation of a general study of the effect of pressure on gas and vapor permeation through nonporous polymeric membranes. Permeability coefficients have been measured for 1,1-difluoroethylene (C₂H₂F₂) and fluoroform (CHF₃) in polyethylene at penetrant pressures up to 35 atm and at temperatures between -18 and 70°C. The permeability coefficient P? for the 1,1-difluoroethylene—polyethylene system was found to increase with increasing pressure differential Δp across the membrane. Isothermal plots of log ΔP versus Δp are generally linear and can be represented by empirical relations of the form ΔP = P(0)exp{m Δp}, where P(0) and m are constants. The slope m of these isotherms decreases with increasing temperature. Plots of log P? versus Δp for the fluoroform—polyethylene system are also linear, but exhibit negative slopes, i.e., P? decreases with increasing Δp. An extension of Fujita's “free volume” theory of diffusion in polymers shows that the dependence of P? on pressure reflects how the free volume of the polymer is affected by this pressure. An increase in the penetrant pressure may result in two opposing effects: (a) the concentration of the penetrant dissolved in the membrane is increased, thereby increasing the free volume, and (b) the hydrostatic pressure on the membrane is also increased, which causes a decrease in the free volume. If the overall effect is an increase in the free volume of the polymer, then P? will also increase, and vice versa.     

Tests of a “free-volume” model of gas permeation through polymer membranes. I. Pure CO2, CH4, C2H4, and C3H8 in polyethylene

Permeability coefficients have been measured for CO₂, CH₄, C₂H₄, and C₃H₈ in polyethylene membranes at temperatures of 5, 20, and 35°C and at applied gas pressures of up to 30 atm. The temperature and pressure dependence of the permeability coefficients was represented satisfactorily by an extension of Fujita's free-volume model of diffusion of small molecules in polymers. The results of the present steady-state permeability measurements provide further support for the conclusion reached from previous unsteady-state diffusivity measurements that Fujita's model is applicable to the transport of small molecules, such as CO₂, CH₄, C₂H₄, and C₃H₈, in polyethylene. It was previously thought that this model is applicable only to the transport of larger molecules, such as of organic vapors, in polymers.     

Is multiscaling an artifact in the stochastically forced Burgers equation?

We study turbulence in the one-dimensional Burgers equation with a white-in-time, Gaussian random force that has a Fourier-space spectrum approximately 1/k, where k is the wave number. From very high-resolution numerical simulations, in the limit of vanishing viscosity, we find evidence for multiscaling of velocity structure functions which cannot be falsified by standard tests. We find a new artifact in which logarithmic corrections can appear disguised as anomalous scaling and conclude that bifractal scaling is likely.     

Approximation Algorithms for Maximization Problems Arising in Graph Partitioning

Given a graph G = (V, E), a weight function w: E → R⁺, and a parameter k, we consider the problem of finding a subset U  V of size k that maximizes: Max-Vertex Cover_k: the weight of edges incident with vertices in U,Max-Dense Subgraph_k: the weight of edges in the subgraph induced by U,Max-Cut_k: the weight of edges cut by the partition (U, V\U),Max-Uncut_k: the weight of edges not cut by the partition (U, V\U).For each of the above problems we present approximation algorithms based on semidefinite programming and obtain approximation ratios better than those previously published. In particular we show that if a graph has a vertex cover of size k, then one can select in polynomial time a set of k vertices that covers over 80% of the edges.     

One-Dimensional Lattice Dynamics of the Diffusion-Limited Reaction A+A→A+S: Transient Behavior

We use a Boolean cellular automaton model to describe the diffusion-limited dynamics of the irreversible reaction A+AA+S on a 1D lattice. We derive a set of equations for the dynamics of the empty interval probabilities from which explicit expressions for the particle concentration and the two-point correlation can be obtained. It is shown that the long-time dynamics is in agreement with the off-lattice solution. The early-time behavior, however, predicts a slower decay of the concentration.     

Embedded silver ions-containing liposomes in polyelectrolyte multilayers: cargos films for antibacterial agents

A new antibacterial coating made of poly(L-lysine)/hyaluronic acid (PLL/HA) multilayer films and liposome aggregates loaded with silver ions was designed. Liposomes filled with an AgNO 3 solution were first aggregated by the addition of PLL in solution. The obtained micrometer-sized aggregates were then deposited on a PLL/HA multilayer film, playing the role of a spacer with the support. Finally, HA/PLL/HA capping layers were deposited on top of the architecture to form a composite AgNO 3 coating. Release of encapsulated AgNO 3 from this composite coating was followed and triggered upon temperature increase over the transition temperature of vesicles, found to be equal to 34 degrees C. After determination of the minimal inhibitory concentration (MIC) of AgNO 3 in solution, the antibacterial activity of the AgNO 3 coating was investigated against Escherichia coli. A 4-log reduction in the number of viable E. coli cells was observed after contact for 120 min with a 120 ng/cm (2) AgNO 3 coating. In comparison, no bactericidal activity was found for PLL/HA films previously dipped in an AgNO 3 solution and for PLL/HA films with liposome aggregates containing no AgNO 3 solution. The strong bactericidal effect could be linked to the diffusion of silver ions out of the AgNO 3 coating, leading to an important bactericidal concentration close to the membrane of the bacteria. A simple method to prepare antibacterial coatings loaded with a high and controlled amount of AgNO 3 is therefore proposed. This procedure is far superior to that soaking AgNO 3 or Ag nanoparticles into a coating. In principle, other small bactericidal chemicals like antibiotics could be encapsulated by this method. This study opens a new route to modify surfaces with small solutes that are not permeating phospholipid membranes below the phase transition temperature.     

QM:QM embedding using electronic densities within an ONIOM framework: energies and analytic gradients

Accurate calculations of large systems remain a challenge in electronic structure theory. Hybrid energy techniques are a promising family of methods for treating such systems. Expanding on previous developments, we present a QM:QM electronic embedding model whereby the high-level region is polarized by the electron density of the low-level region within an ONIOM framework. A direct Coulomb embedding model as well a more computationally efficient model involving a density fitting expansion are considered. We also develop a generalized theory for the first derivatives of these classes of QM:QM electronic embedding schemes, which requires solution of a single set of self-consistent field response equations. Two initial test cases are presented and discussed.     

Swelling of interpenetrating polymer networks

We have studied the densities, kinetics, and equilibrium degree of swelling in a number of different solvents of poly(carbonate urethane)/poly(methyl methacrylate) and poly(carbonate urethane)/poly(vinyl pyridine) interpenetrating polymer networks (IPN's). The kinetics of solvent uptake are often anomalous. The equilibrium extent of swelling reflects, among other factors, the number of phases present. © 1993 John Wiley & Sons, Inc.