Evolutionary variational inequalities with a volterra term

The mathematical model of the injection molding process is characterized by evolutionary inequalities with an elliptic principal part and a Volterra term. Existence and uniqueness of the solution of these problems are derived by means of an argument based on the Banach fixed point theorem. Regularity results are obtained by using the penalty and Rothe method. The results can be considered as a starting point for the numerical treatment and for the application to injection molding.     

A class of random field memory models for mortality forecasting

This article proposes a parsimonious alternative approach for modeling the stochastic dynamics of mortality rates. Instead of the commonly used factor-based decomposition framework, we consider modeling mortality improvements using a random field specification with a given causal structure. Such a class of models introduces dependencies among adjacent cohorts aiming at capturing, among others, the cohort effects and cross generations correlations. It also describes the conditional heteroskedasticity of mortality. The proposed model is a generalization of the now widely used AR-ARCH models for random processes. For such a class of models, we propose an estimation procedure for the parameters. Formally, we use the quasi-maximum likelihood estimator (QMLE) and show its statistical consistency and the asymptotic normality of the estimated parameters. The framework being general, we investigate and illustrate a simple variant, called the three-level memory model, in order to fully understand and assess the effectiveness of the approach for modeling mortality dynamics.     

Achieving Enhanced Photochromic Properties of Diarylethene through Host-Guest Interaction in Aqueous Solution

Diarylethene (DTE) has been widely used in fluorescence probes, molecular logic gates, optical data-storage devices owing to the excellent photochromic property, while constructing high-performance photochromic DTE in aqueous media remains a big challenge. Herein we present several host-guest systems formed between cucurbit[n]uril (CB[n], n=7, 8, 10) and two water-soluble DTE derivatives 1 and 2 . It was found that host-guest interactions not only affect the photophysical properties of photochromic guests, but also make great differences on the photoreaction process. Different host-guest binding behaviors also lead to different effects on the photochromic properties of guests. In the presence of CB[n], both 1 and 2 showed enhanced emission and higher fluorescence quenching ratio at photostationary state. Besides, CB[10] ⋅1 exhibited faster response rate in cyclization reaction and better photofatigue resistance than free 1 in aqueous solution, while the supramolecular assembly of (CB[8])_n ⋅ ( 2 )_n showed slower response rate in both directions of the reversible photoreaction. Besides, the photofatigue resistance of 2 can be greatly improved through binding with CB[7]. Our results suggest that host-guest interactions could be an efficient way to improve photochromic properties of DTE in aqueous solution.     

On the signal degradation induced by the interpolation and the sampling rate reduction in aeroacoustics hybrid methods

Taking place within more extensive work that focuses on hybrid methods in aeroacoustics, the present study is devoted to the data transfer operations that are to be performed between two stages of a hybrid calculation. More precisely, the article focuses on two typical operations that usually accompany such data transfer, which are (i) the sampling rate reduction and (ii) the interpolation of the unsteady perturbations to be transmitted from one stage to the other. First part of the paper analyzes the two main issues of such operations, which are the spuriousing and the aliasing phenomena. For doing so, the usual notions of the interpolation theory are revisited before they are synthesized within an original approach. The here proposed formalism allows to understand better both the spuriousing and the aliasing phenomena, as well as to accurately predict the impact of the latter on the data to be transmitted in terms of signal degradation. Second part of the paper provides an illustration and a validation of these theoretical developments via a direct application to a typical aerodynamic noise problem (aeroacoustic emission by a 2D cylinder cross flow). There, it is further shown how the here proposed formalism can help in improving aeroacoustics hybrid calculations by predicting (and thus possibly minimizing) the bias to be induced on the acoustic extrapolation stage because of the aliasing and/or spuriousing effects inherited from the sampling rate reduction and/or interpolation of CFD data—which is likely to occur in any hybrid scenario. Copyright © 2012 John Wiley & Sons, Ltd.     

Reaching multi‐nanosecond timescales in combined QM/MM molecular dynamics simulations through parallel horsetail sampling

We report an enhanced sampling technique that allows to reach the multi‐nanosecond timescale in quantum mechanics/molecular mechanics molecular dynamics simulations. The proposed technique, called horsetail sampling, is a specific type of multiple molecular dynamics approach exhibiting high parallel efficiency. It couples a main simulation with a large number of shorter trajectories launched on independent processors at periodic time intervals. The technique is applied to study hydrogen peroxide at the water liquid–vapor interface, a system of considerable atmospheric relevance. A total simulation time of a little more than 6 ns has been attained for a total CPU time of 5.1 years representing only about 20 days of wall‐clock time. The discussion of the results highlights the strong influence of the solvation effects at the interface on the structure and the electronic properties of the solute. © 2017 Wiley Periodicals, Inc.     

Enhanced gas barrier properties of graphene-TiO2 nanocomposites on plastic substrates assisted by UV photoreduction of graphene oxide

Reduced graphene oxide (rGO) sheets have received great attention as a key element for thin barrier films that block the permeation of water vapor and other gases. However, it remains a challenge to prepare the rGO-based barrier films on plastic substrates through a chemically benign and low temperature fabrication route. Toxic chemicals or high temperature thermal treatments that are widely used for preparing rGO need to be avoided because they can damage the underlying plastic substrates. In this study, we report the fabrication of rGO/TiO₂ composite films via an eco-friendly and low temperature ultraviolet (UV) photoreduction process and demonstrate their enhanced gas barrier properties by measuring water vapor transmission rates (WVTRs). When photocatalytic TiO₂ nanoparticles are employed, UV exposure reduces the GO/TiO₂ composite solution to form rGO/TiO₂, which is subsequently deposited on plastic substrates. The rGO/TiO₂ composites become resistant to water absorption because the UV photoreduction of GO/TiO₂ effectively removes most polar groups on the GO sheets. We confirmed that rGO/TiO₂ composites were successfully deposited onto the plastic substrate through a solution process and the barrier films led to a substantial reduction in WVTRs of the substrate. Our strategy for preparing graphene-based thin barrier films by using a UV photoreduction process enables the fabrication of solution-processed graphene-based encapsulation layers on plastic substrates with an eco-friendly and low temperature fabrication method.     

An improved Sampling Strategy for the Measurement of VOCs in Air,Based on Cooled Sampling and Analysis by Thermodesorption-GC-MS/FID

Abstract

Reliable and comprehensive sampling methods are required to obtain accurate data for VOC concentrations in air samples. The major drawback of the adsorption tube sampling method, widely employed in environmental studies, is the fact that C₂ compounds are usually not trapped quantitatively.

The focus of this work was thus to improve sampling based on adsorption tubes packed with Molsieve and Carbosieve. To improve the sampling efficiency for the C₂ compounds, a cooling device, based on Peltier cooling was constructed, which could be operated at a temperature down to ?30°C.

Experiments under laboratory and field conditions were carried out to study the influence of the sampling temperatuie on the recovery of ethane and ethene as the most volatile VOCs. The results clearly demonstrate the need for a cooled sampling device for the analysis of C₂ compounds in air. Under the investigated conditions, the recoveries with ambient temperature sampling were only in the range of 38–46% for ethane and 33–59% for ethene respectively, in comparison to the cooled sampling device. These findings are only valid for the described conditions and can change significantly with temperature and concentration. A generalisation of the recovery is thus very difficult to give.

The use of the sampling device for a field study is reported, where samples were collected simultaneously at three different altitudes in a diurnal profile on the slope of the Schulterberg mountain in Tyrol (Austria).     

On reconstruction of objects from measurements of the diffracted field (*)

The aim of this paper is the shape restoration of a plane object from measurements of its diffracted field at a discrete and finite set of points. The plane sampling lattice is supposed: i) rectangular; ii)periodic.

The problem is approached as an interpolation one. A numerical algorithm for practical reconstructions is presented. A-priori limitations on the perimeter of the object and conditions on the samples lead to a-priori bounds able to estimate the precision of the reconstruction.     

Approximation by an iterative method of a low‐Mach model with temperature dependent viscosity

In this work, we prove the existence and the uniqueness of the strong solution of a low‐Mach model, for which the dynamic viscosity of the fluid is a given function of its temperature. The method is based on the convergence study of a sequence towards the solution, for which the rates are also given. The originality of the approach is to consider the system in terms of the temperature and the velocity, leading to a nonlinear temperature equation and the development of some specific tools and results.