Slow dynamics of a confined supercooled binary mixture II: Q space analysis

We report the analysis in the wavevector space of the density correlator of a Lennard Jones binary mixture confined in a disordered matrix of soft spheres upon supercooling. In spite of the strong confining medium the behavior of the mixture is consistent with the Mode Coupling Theory predictions for bulk supercooled liquids. The relaxation times extracted from the fit of the density correlator to the stretched exponential function follow a unique power law behavior as a function of wavevector and temperature. The von Schweidler scaling properties are valid for an extended wavevector range around the peak of the structure factor. The parameters extracted in the present work are compared with the bulk values obtained in literature.Comment: 8 pages with 8 figures. RevTeX. Accepted for publication in Phys. Rev.

Mode Coupling relaxation scenario in a confined glass former

Molecular dynamics simulations of a Lennard-Jones binary mixture confined in a disordered array of soft spheres are presented. The single particle dynamical behavior of the glass former is examined upon supercooling. Predictions of mode coupling theory are satisfied by the confined liquid. Estimates of the crossover temperature are obtained by power law fit to the diffusion coefficients and relaxation times of the late $\alpha$ region. The $b$ exponent of the von Schweidler law is also evaluated. Similarly to the bulk, different values of the exponent $\gamma$ are extracted from the power law fit to the diffusion coefficients and relaxation times.Comment: 5 pages, 4 figures, changes in the text, accepted for publication on Europhysics Letter

The resupply interface mechanism RMS compatibility test

Spacecraft on-orbit servicing consists of exchanging components such as payloads, orbital replacement units (ORUs), and consumables. To accomplish the exchange of consumables, the receiving vehicle must mate to the supplier vehicle. Mating can be accomplished by a variety of docking procedures. However, these docking schemes are mission dependent and can vary from shuttle bay berthing to autonomous rendezvous and docking. Satisfying the many docking conditions will require use of an innovative docking device. The device must provide fluid, electrical, pneumatic and data transfer between vehicles. Also, the proper stiffness must be obtained and sustained between the vehicles. A device to accomplish this, the resupply interface mechanism (RIM), was developed. The RIM is a unique device because it grasps the mating vehicle, draws the two vehicles together, simultaneously mates all connectors, and rigidizes the mating devices. The NASA-Johnson Manipulator Development Facility was used to study how compatible the RIM is to on orbit docking and berthing. The facility contains a shuttle cargo bay mockup with a remote manipulator system (RMS). This RMS is used to prepare crew members for shuttle missions involving spacecraft berthing operations. The MDF proved to be an excellant system for testing the RIM/RMS compatibility. The elements examined during the RIM JSC test were: RIM gross and fine alignment; berthing method sequence; visual cuing aids; utility connections; and RIM overall performance. The results showed that the RIM is a good device for spacecraft berthing operations. Mating was accomplished during every test run and all test operators (crew members) felt that the RIM is an effective device. The purpose of the JSC RIM test and its results are discussed

Double dynamical regime of confined water

The Van Hove self correlation function of water confined in a silica pore is calculated from Molecular Dynamics trajectories upon supercooling. At long time in the $\alpha$ relaxation region we found that the behaviour of the real space time dependent correlators can be decomposed in a very slow, almost frozen, dynamics due to the bound water close to the substrate and a faster dynamics of the free water which resides far from the confining surface. For free water we confirm the evidences of an approach to a crossover mode coupling transition, previously found in Q space. In the short time region we found that the two dynamical regimes are overimposed and cannot be distinguished. This shows that the interplay between the slower and the faster dynamics emerges in going from early times to the $\alpha$ relaxation region, where a layer analysis of the dynamical properties can be performed.Comment: 6 pages with 9 figures. RevTeX. Accepted for pulbication in J. Phys. Cond. Mat

Activation of TLR3 in keratinocytes increases expression of genes involved in formation of the epidermis, lipid accumulation, and epidermal organelles.

Injury to the skin, and the subsequent release of noncoding double-stranded RNA (dsRNA) from necrotic keratinocytes, has been identified as an endogenous activator of Toll-like receptor 3 (TLR3). As changes in keratinocyte growth and differentiation follow injury, we hypothesized that TLR3 might trigger some elements of the barrier repair program in keratinocytes. dsRNA was observed to induce TLR3-dependent increases in human keratinocyte mRNA abundance for ABCA12 (ATP-binding cassette, sub-family A, member 12), glucocerebrosidase, acid sphingomyelinase, and transglutaminase 1. Additionally, treatment with dsRNA resulted in increases in sphingomyelin and morphologic changes including increased epidermal lipid staining by Oil Red O and TLR3-dependent increases in lamellar bodies and keratohyalin granules. These observations show that dsRNA can stimulate some events in keratinocytes that are important for skin barrier repair and maintenance

A longer XMM-Newton look at I Zwicky 1: Distinct modes of X-ray spectral variability

The short-term spectral variability of the narrow-line Seyfert 1 galaxy I Zwicky 1 (I Zw 1) as observed in an 85 ks XMM-Newton observation is discussed in detail. I Zw 1 shows distinct modes of variability prior to and after a flux dip in the broad-band light curve. Before the dip the variability can be described as arising from changes in shape and normalisation of the spectral components. Only changes in normalisation are manifested after the dip. The change in the mode of behaviour occurs on dynamically short timescales in I Zw 1. The data suggest that the accretion-disc corona in I Zw 1 could have two components that are co-existing. The first, a uniform, physically diffuse plasma responsible for the "typical'' long-term (e.g. years) behaviour; and a second compact, centrally located component causing the rapid flux and spectral changes. This compact component could be the base of a short or aborted jet as sometimes proposed for radio-quiet active galaxies. Modelling of the average and time-resolved rms spectra demonstrate that a blurred Compton-reflection model can describe the spectral variability if we allow for pivoting of the continuum component prior to the dip.Comment: 8 pages, 9 figures. Accepted by MNRA

The relaxation dynamics of a simple glass former confined in a pore

We use molecular dynamics computer simulations to investigate the relaxation dynamics of a binary Lennard-Jones liquid confined in a narrow pore. We find that the average dynamics is strongly influenced by the confinement in that time correlation functions are much more stretched than in the bulk. By investigating the dynamics of the particles as a function of their distance from the wall, we can show that this stretching is due to a strong dependence of the relaxation time on this distance, i.e. that the dynamics is spatially very heterogeneous. In particular we find that the typical relaxation time of the particles close to the wall is orders of magnitude larger than the one of particles in the center of the pore.Comment: 9 pages of Latex, 4 figure

Fragile to strong crossover coupled to liquid-liquid transition in hydrophobic solutions

Using discrete molecular dynamics simulations we study the relation between the thermodynamic and diffusive behaviors of a primitive model of aqueous solutions of hydrophobic solutes consisting of hard spheres in the Jagla particles solvent, close to the liquid-liquid critical point of the solvent. We find that the fragile-to-strong dynamic transition in the diffusive behavior is always coupled to the low-density/high-density liquid transition. Above the liquid-liquid critical pressure, the diffusivity crossover occurs at the Widom line, the line along which the thermodynamic response functions show maxima. Below the liquid-liquid critical pressure, the diffusivity crossover occurs when the limit of mechanical stability lines are crossed, as indicated by the hysteresis observed when going from high to low temperature and vice versa. These findings show that the strong connection between dynamics and thermodynamics found in bulk water persists in hydrophobic solutions for concentrations from low to moderate, indicating that experiments measuring the relaxation time in aqueous solutions represent a viable route for solving the open questions in the field of supercooled water.Comment: 6 pages, 4 figures. Accepted for publication on Physical Review

Modifications of the hydrogen bond network of liquid water in a cylindrical SiO_2 pore

We present results of molecular dynamics simulations of water confined in a silica pore. A cylindrical cavity is created inside a vitreous silica cell with geometry and size similar to the pores of real Vycor glass. The simulations are performed at different hydration levels. At all hydration levels water adsorbs strongly on the Vycor surface; a double layer structure is evident at higher hydrations. At almost full hydration the modifications of the confinement-induced site-site pair distribution functions are in qualitative agreement with neutron diffraction experiment. A decrease in the number of hydrogen bonds between water molecules is observed along the pore radius, due to the tendency of the molecules close to the substrate to form hydrogen-bonds with the hydrophilic pore surface. As a consequence we observe a substrate induced distortion of the H-bond tetrahedral network of water molecules in the regions close to the surface.Comment: Talk presented at "Physics of Liquids: Foundations, Highlights, Challenge", Murau Sept. 1998. To appear in J. Mol. Li