Four-Variable Model of an Enzymatic Oscillator Based on Trypsin

This paper describes a four-variable model for an enzymatic oscillator based on trypsin. Variables in this model are concentrations of the essential proteins (trypsin and trypsinogen) and small molecules (masked and active inhibitors of trypsin) within the network. Importantly, to simplify the model, non-essential side reactions are neglected and essential reactions are assumed to follow first or second order kinetics. Numerical solutions of this reduced model semi-quantitatively reproduce experimentally determined periods, amplitudes, and phase shifts of oscillations in the concentrations of several species in the network. Moreover, linear stability analysis shows that oscillations in the trypsin oscillator emerge and disappear through Hopf bifurcation. The model will be helpful in situations where simplicity is necessary such as detailed analysis of dynamics and modeling of reaction-diffusion systems.     

Chemical Stability of ZnO–Na2O–SO3–P2O5 Glasses

We report on chemical stability and corrosion behavior of highly depolymerized sulfophosphate glasses from the system ZnO–Na₂O–SO₃–P₂O₅ in aqueous solution, providing data on weight loss, ion release rates, and modifications of surface topology as a function of time, temperature and pH value. Observations seem consistent with the previously developed structural model of chemical heterogeneity, where cations Na⁺ and Zn²⁺ cluster selectively in the vicinity of sulfate and phosphate anions, respectively.     

Goal-oriented a posteriori error estimates for transport problems

Some aspects of goal-oriented a posteriori error estimation are addressed in the context of steady convection–diffusion equations. The difference between the exact and approximate values of a linear target functional is expressed in terms of integrals that depend on the solutions to the primal and dual problems. Gradient averaging techniques are employed to separate the element residual and diffusive flux errors without introducing jump terms. The dual solution is computed numerically and interpolated using higher-order basis functions. A node-based approach to localization of global errors in the quantities of interest is pursued. A possible violation of Galerkin orthogonality is taken into account. Numerical experiments are performed for centered and upwind-biased approximations of a 1D boundary value problem.     

A parameterized model of heat storage by lake sediments

A model of seasonal heat storage by lake sediments is proposed oriented at applications in climate modeling and at lake parameterization in numerical weather prediction. The computational efficiency is achieved by reformulating of the heat transfer problem as a set of ordinary differential equations for evolution of the temperature wave inside the upper sediment layer. Arising temperature and depth scales completely replace the conductivity of the sediment in the heat transfer equation and can be easily achieved from the lake water temperature observations without any data on the sediment thermal properties. The method is proposed for the scales estimation from the inverse solution of the model equations in special case of the constant water-sediment heat flux in ice-covered lakes. The method is tested on data from sediments of Lake Krasnoye, North-Western Russia. The long-term (1961–2002) modeling of temperature in German lakes Müggelsee and Heiligensee with a coupled one-dimensional model of lake water column and sediments has demonstrated an appreciable effect of the sediment heat storage on near-bottom temperatures in both lakes. Thus, incorporation of the sediment layer into lake temperature models can essentially improve, at low computational costs, the model performance, especially for shallow lakes. In addition, a better forecast of near-bottom temperature evolution on climatic scales can provide a better understanding of the response of lake benthic communities to global warming.     

Experimental Study of Laminar Convective Condensation of Pure Vapor Inside an Inclined Circular Tube

Convective condensation of pure ethanol vapor inside a smooth tube of inner diameter 4.8 mm and of length 200 mm is studied. The experiments have been carried out at temperature 58°C corresponding to the pressure of 440 mbar, the vapor mass velocity varying from 0.24 to 2.04 kg/(m² s). The dependency of the Heat Transfer Coefficient (HTC) is investigated experimentally both subject to the temperature difference between the saturated vapor and the wall and subject to the condenser inclination. The results show that the HTC reduces with growth of the temperature difference. The dependency of the HTC on inclination has a maximum in the range 15°–35° due to the complex gravity drainage mechanism of the condensed liquid. The results could be useful for development of compact effective cooling systems for space and ground application.     

Large-area organic photovoltaic module—Fabrication and performance

Here we describe the fabrication of the largest (233 cm² total area) organic photovoltaic (OPV) module (polymer:fullerene) to be certified by the National Renewable Energy Laboratory (NREL). OPV solar cells were fabricated at Plextronics by spin coating a blend of poly 3-hexylthiophene-2,5 diyl (P3HT) and [6,6] phenyl C₆₁ butyric acid methyl ester (PCBM) on top of our hole transport layer (HTL), Plexcore^® OC. In laboratory-scale devices (0.09 cm²), this system routinely exhibits power conversion efficiencies exceeding 3.7%. This P3HT:PCBM active layer and HTL ink system was used to scale up to the larger area module (15.2 cm×15.2 cm module size, i.e. 233 cm² total area; 108 cm² active area), which was certified by NREL as having 1.1% total area efficiency (3.4% active area efficiency).     

The virtual production simulation platform: from collaborative distributed simulation to integrated visual analysis

Computational simulations are used for the optimization of production processes in order to significantly reduce the need for costly experimental optimization approaches. Yet individual simulations can rarely describe more than a single production step. A set of simulations has to be coupled to each other to form a contiguous representation of a process chain. Eventually, simulated results have to be analyzed by domain experts to gather insight from the preformed computations. In this paper, we propose an IT infrastructure and software tools that aim at a rather non-intrusive way of coupling resources and domain expert’s knowledge to enable the collaborative setup, execution and analysis of distributed simulation chains. We illustrate the approach in the domain of materials processing. Beyond means originating from the domain of GRID computing for resource management, a data integration component assures semantic data integrity between the simulation steps and stores simulation data in an application independent way. Thus, we can transform this data into native formats for each simulation tool, and finally into a format that allows for contiguous visualizations and an intuitive, comprehensive analysis of complete simulated process chains.     

On generalized communicating P systems with minimal interaction rules

Generalized communicating P systems are purely communicating tissue-like membrane systems with communication rules which allow the movement of only pairs of objects. In this paper, we study the power of these systems in the case of eight restricted variants of communication rules. We show that seven of these restrictions lead to computational completeness, while using the remaining one the systems are able to compute only finite singletons of non-negative integers. The obtained results complete the investigations of the computational power of generalized communicating P systems and provide further examples for simple architectures with simple functioning rules which are as powerful as Turing machines.     

Fast variation method for elastic strip calculation

A new, fast, variation method (FVM) for determining an elastic strip response to stresses arbitrarily distributed on the flat side of the strip is proposed. The remaining surface of the strip may have an arbitrary form, and it is free of stresses. The FVM, as well as the wellknown finite element method, starts with the variational principle. However, it does not use the meshing of the strip. A comparison of FVM results with the exact analytical solution in the special case of shear stresses and a rectangular strip demonstrates an excellent agreement