A new contact model for the discrete element method simulation of $$\hbox {TiO}_2$$ nanoparticle films under mechanical load

We develop a novel coarse-grained contact model for Discrete Element Method simulations of \(\hbox {TiO}_2\) nanoparticle films subjected to mechanical stress. All model elements and parameters are derived in a self-consistent and physically sound way from all-atom Molecular Dynamics simulations of interacting particles and surfaces. In particular, the nature of atomic-scale friction and dissipation effects is taken into account by explicit modelling of the surface features and water adsorbate layers that strongly mediate the particle-particle interactions. The quantitative accuracy of the coarse-grained model is validated against all-atom simulations of \(\hbox {TiO}_2\) nanoparticle agglomerates under tensile stress. Moreover, its predictive power is demonstrated with calculations of force-displacement curves of entire nanoparticle films probed with force spectroscopy. The simulation results are compared with Atomic Force Microscopy and Transmission Electron Microscopy experiments.     

Inhibition of neuronal calcium channels by a novel peptide spider toxin, DW13.3

Peptide toxins have proved to be useful agents, both in discriminating between different components of native calcium channel currents and in the molecular isolation and designation of their cloned channel counterparts. Here, we describe the isolation and characterization of the biochemical and physiological properties of a novel 74-amino acid peptide toxin (DW13.3) extracted from the venom of the spider Filistata hibernalis. The subtype specificity of DW13.3 was investigated using calcium channel currents recorded from two separate expression systems and several different cultured mammalian cell preparations. Overall, DW13.3 potently blocked all native calcium channel currents studied, with the exception of T-type currents recorded from GH3 cells. Examination of transiently expressed calcium channels in oocytes showed that DW13.3 had the highest affinity for alpha1A, followed by alpha1B > alpha1C > alpha1E. The affinity of DW13.3 for alpha1B N-type currents varied by 10-fold between expressed channels and native currents. Although block occurred in a similar 1:1 manner for all subtypes, DW13.3 produced a partial block of both alpha1A currents and P-type currents in cerebellar Purkinje cells. Selective occlusion of the P/Q-type channel ligand omega-conotoxin MVIIC (but not omega-agatoxin IVA) from its binding site in Purkinje neurons suggests that DW13.3 binds to a site close to the pore of the channel. The inhibition of different subtypes of calcium channels by DW13.3 reflects a common "macro" binding site present on all calcium channels except T-type.     

Beyond loop bounds: comparing annotation languages for worst-case execution time analysis

Worst-case execution time (WCET) analysis is concerned with computing a precise-as-possible bound for the maximum time the execution of a program can take. This information is indispensable for developing safety-critical real-time systems, e. g., in the avionics and automotive fields. Starting with the initial works of Chen, Mok, Puschner, Shaw, and others in the mid and late 1980s, WCET analysis turned into a well-established and vibrant field of research and development in academia and industry. The increasing number and diversity of hardware and software platforms and the ongoing rapid technological advancement became drivers for the development of a wide array of distinct methods and tools for WCET analysis. The precision, generality, and efficiency of these methods and tools depend much on the expressiveness and usability of the annotation languages that are used to describe feasible and infeasible program paths. In this article we survey the annotation languages which we consider formative for the field. By investigating and comparing their individual strengths and limitations with respect to a set of pivotal criteria, we provide a coherent overview of the state of the art. Identifying open issues, we encourage further research. This way, our approach is orthogonal and complementary to a recent approach of Wilhelm et al. who provide a thorough survey of WCET analysis methods and tools that have been developed and used in academia and industry.     

Disruption management in the airline industry—Concepts,models and methods

This paper provides a thorough review of the current state-of-the-art within airline disruption management of resources, including aircraft, crew, passenger and integrated recovery. An overview of model formulations of the aircraft and crew scheduling problems is presented in order to emphasize similarities between solution approaches applied to the planning and recovery problems. A brief overview of research within schedule robustness in airline scheduling is included in the review, since this proactive measure is a natural complement to disruption management.     

A modified design approach for compact ultra‐wideband microstrip filters

A modified design approach for compact ultra‐wideband microstrip filters with cascaded/folded stepped‐impedance resonators is described. The key feature of the proposed method is to facilitate stronger coupling between stepped‐impedance resonators and, at the same time, eliminate the requirement of extremely small gaps in coupled‐line sections, as found in traditional designs. Simulations and measurements demonstrate that the filters designed with this technique exhibit good reflection, insertion‐loss, and group‐delay performance within the 3.1–10.6 GHz band. © 2009 Wiley Periodicals, Inc. Int J RF and Microwave CAE 2010.     

Liquid recirculation in microfluidic channels by the interplay of capillary and centrifugal forces

We demonstrate a technique to recirculate liquids in a microfluidic channel by alternating predominance of centrifugal and capillary forces to rapidly bring the entire volume of a liquid sample to within one diffusion length, δ, of the surface, even for sample volumes hundreds of times the product of δ and the geometric device area. This is accomplished by repetitive, random sampling of an on-disc sample reservoir to form a thin fluid layer of thickness δ in a microchannel, maintaining contact for the diffusion time, then rapidly exchanging the fluid layer for a fresh aliquot by disc rotation and stoppage. With this technique, liquid volumes of microlitres to millilitres can be handled in many sizes of microfluidic channels, provided the channel wall with greatest surface area is hydrophilic. We present a theoretical model describing the balance of centrifugal and capillary forces in the device and validate the model experimentally.     

Adaptive Finite Element Simulation of the Time-dependent Simplified <Emphasis Type="Italic">P</Emphasis><Subscript><Emphasis Type="Italic">N</Emphasis></Subscript> Equations

The steady-state simplified P _N approximation to the radiative transfer equation has been successfully applied to many problems involving radiation. Recently, time-dependent simplified P _N equations have been derived by an asymptotic analysis similar to the asymptotic derivation of the steady-state SP _N equations (Frank et al. in J. Comput. Phys. 226:2289–2305, 2007). In this paper, we present computational results for the time-dependent SP _N equations in two dimensions, obtained by using an adaptive finite element approach. Several numerical comparisons with other existing models are shown.