Lithium-Ion Desolvation Induced by Nitrate Additives Reveals New Insights into High Performance Lithium Batteries

Electrolyte additives have been widely used to address critical issues in current metal (ion) battery technologies. While their functions as solid electrolyte interface forming agents are reasonably well-understood, their interactions in the liquid electrolyte environment remain rather elusive. This lack of knowledge represents a significant bottleneck that hinders the development of improved electrolyte systems. Here, the key role of additives in promoting cation (e.g., Li⁺) desolvation is unraveled. In particular, nitrate anions (NO₃⁻) are found to incorporate into the solvation shells, change the local environment of cations (e.g., Li⁺) as well as their coordination in the electrolytes. The combination of these effects leads to effective Li⁺ desolvation and enhanced battery performance. Remarkably, the inexpensive NaNO₃ can successfully substitute the widely used LiNO₃ offering superior long-term stability of Li⁺ (de-)intercalation at the graphite anode and suppressed polysulfide shuttle effect at the sulfur cathode, while enhancing the performance of lithium–sulfur full batteries (initial capacity of 1153 mAh g⁻¹ at 0.25C) with Coulombic efficiency of ≈100% over 300 cycles. This work provides important new insights into the unexplored effects of additives and paves the way to developing improved electrolytes for electrochemical energy storage applications.     

3DPointCaps++: Learning 3D Representations with Capsule Networks

International Journal of Computer Vision - We present 3DPointCaps++ for learning robust, flexible and generalizable 3D object representations without requiring heavy annotation efforts or...     

Ideas and Implementation: The Effective Implementation of Novel Marketing Programmes in Small‐ to Medium‐Sized Greek Firms

The purpose of the present study is to identify the potential contribution that a firm's climate supporting creativity can make towards understanding the effective implementation of novel marketing programmes. Specifically, a conceptual model is developed and empirically tested with Bayesian path analysis, using data obtained from managers of 87 Greek firms. Results suggest that a firm's climate that supports creativity has an indirect effect on marketing programme implementation effectiveness through marketing programme novelty. Additionally, climate for creativity moderates the relationship between marketing programme novelty and marketing programme implementation effectiveness such that the indirect effect of climate for creativity on marketing programme implementation effectiveness was found significant for levels of climate moderate to low, but not when the level of climate for creativity was high. Recommendations for further research are discussed.     

Application of a Diffusion Charger for the Measurement of Particle Surface Concentration in Different Environments

Particle surface area has recently been considered as a possible metric in an attempt to correlate particle characteristics with health effects. In order to provide input to such studies, two Nanoparticle Surface Area Monitors (NSAMs, TSI, Inc.) were deployed in different urban sites within Los Angeles to measure the concentration levels and the diurnal profiles of the surface area of ambient particles. The NSAM's principle of operation is based on the unipolar diffusion charging of particles. Results show that the particle surface concentration decreases from ～150 μ m² cm^?3 next to a freeway to ～ 100 μ m² cm^?3 at 100 m downwind of the freeway, and levels decline to 50–70 μ m² cm^?3 at urban background sites. Up to 51% and 30% of the total surface area corresponded to particles < 40 nm next to the freeway and at an urban background site, respectively. The NSAM signal was well correlated with a reconstructed surface concentration based on the particle number size distribution measured with collocated Scanning Mobility Particle Sizers (SMPSs, TSI, Inc.). In addition, the mean surface diameter calculated by combination of the NSAM and the total particle number concentration measured by a Condensation Particle Counter (CPC, TSI, Inc.) was in reasonable agreement with the arithmetic mean SMPS diameter, especially at the urban site. This study corroborates earlier findings on the application of diffusion chargers for ambient particle monitoring by demonstrating that they can be effectively used to monitor the particle surface concentration, or combined with a CPC to derive the mean surface diameter with high temporal resolution.     

Growth and Deposition of Hygroscopic Particulate Matter in the Human Lungs

Transport and fate of inhaled particulate matter in the human lungs is calculated for realistic physicochemical conditions by a new dosimetry model. The model solves a variant of the general dynamic equation for the size evolution of respirable particles within the human tracheobronchial airways, starting at the tracheal entrance. We focus on ambient anthropogenic aerosols, which are of concern in inhalation toxicology because of their potential irritant and toxic effects on humans. The aerosols considered are polydisperse with respect to size and heterodisperse with respect to thermodynamic state and chemical composition, having initially bimodal lognormal size distribution that evolves with time as a result of condensation-evaporation and deposition processes. The architecture of the human lung is described by Weibel's symmetric bronchial tree. Simulations reveal that, due to the rapid growth of submicron-sized particles, increased number and mass fractions of the particle population can be found in the intermediate size range 0.1 < φ < 1     

Dynamic response of reinforced masonry columns in classical monuments

From the mechanical point of view, the particularity of masonry structures stems from the fact that the structural system is hard to be modeled by the classical Continuum Mechanics approach. The problem gets more complicated when imperfections, such as cracks are present. An example of a single multi-drum column, with fractured drums, is studied herein, using the Distinct Element Method (DEM). The purpose of the research is the investigation of the impact of the fractures to the overall stability of the structure. The 3D DEM numerical results are explained on the basis of simple 2D analytical considerations. The shear and normal crack deformation is monitored and the minimum required strength of the crack interface is quantified. An experimental program of direct shear tests is set in order to estimate the strength of the marble–cement interface. The experimental values are compared to the minimum required from the numerical analysis.     

Mathematical investigation of interfacial property in fiber reinforced model composites

In the current paper, we have investigated the dependence of the effective elastic properties of a composite material on the fiber/matrix interface elastic property. The model composite consists of a single cylindrical fiber embedded in a concentric cylindrical matrix material. A three dimensional mathematical method has been developed connecting the interface properties with the effective axial Young’s modulus of the composite structure. Special effort has been devoted to decode information about the quality of the interface by exploiting the information provided by the elastic effective parameters. In particular, the effective modulus vs. stiffness coefficient curves have been generated for Ti/SiC composites. The aforementioned curves reveal the characteristics of the transition from the regime of perfect interface to the realm of complete debonding.     

A model for the dc electrical behavior of bulk-barrier diodes

Contents  This paper presents an analytical model for the dc electrical behavior of bulk barrier diodes (BBD's). The proposed model extends previously published models, and includes analytical expressions for all significant quantities of the device dc performance, i.e. barrier height, current density and ideality factor, with respect to the technological parameters and the applied voltage in both bias conditions. The analytical results have been compared with those obtained using the 2-D device simulator S-PISCES, which takes into account the drift–diffusion theory, as well as a concentration and field dependent mobility, the Shockley–Read–Hall and Auger carrier recombination, and the band gab narrowing. Good agreement was obtained between theory and simulation. The device simulation played a very important role in best understanding BBD's behavior, because it could easily take into account parameters strongly affecting the behavior of BBD's, e.g. the free carrier presence in depletion layers, which was very difficult for the analytical model to include. Received: 15 January 2001     

Hydrogen uptake by graphene and nucleation of graphane

Reactions of hydrogen with electronic materials are important for the operation of related devices. Here we use first-principles density-functional theory calculations to describe hydrogen reactions on pristine and defective graphene. We show that small hydrogen clusters on defect-free graphene are unstable against emission of hydrogen molecules and that the associated reaction energies and barriers have a subtle dependence on the type of the clusters. In contrast, chemisorption of hydrogen in the vicinity of graphene vacancies leads to progressively larger clusters of adatoms and, eventually, to formation of graphane. The results are relevant to the optimization of graphene- and graphane-based devices, as well to the creation of graphene–graphane hybrid systems.     

On the gradient elastic wave propagation in cylindrical waveguides with microstructure

The present work describes the development of a complete theoretical framework of wave propagation in cylindrical waveguides possessing microstructure. In parallel, a thorough investigation of the full 3-D model of wave propagation in cylinders is presented. The first step is the spectral decomposition of the boundary value problem emerging via wave propagation analysis. The spectral representation of the specific gradient elasticity problem reflects the ability to construct all the possible propagating modes in cylindrical geometry. Several byproducts arise along the present work, which constitute generalizations of well known important features of classical elasticity and are indispensable for modeling the gradient elasticity problem. We note the construction of the set of dyadic Navier eigenfunctions which constitute the generalization of the Navier eigenvectors. The restriction of the Navier eigendyadics on cylindrical surfaces gives birth to the dyadic cylindrical harmonics, which constitute the generalization of the well known vector harmonics. This set is also a basis in the sense that the trace of every dyadic field on a cylindrical surface can be represented as a countable superposition of dyadic cylindrical harmonics. The method aims at providing the necessary theoretical establishment for the determination of the dispersion curves emerging in cortical bones.