A rigorous comparison of the Ewald method and the fast multipole method in two dimensions

The most efficient and proper standard method for simulating charged or dipolar systems is the Ewald method, which asymptotically scales as where N is the number of charges. However, recently the “fast multipole method” (FMM) which scales linearly with N has been developed. The break-even of the two methods (that is, the value of N below which Ewald is faster and above which FMM is faster) is very sensitive to the way the methods are optimized and implemented and to the required simulation accuracy.In this paper we use theoretical estimates and simulation results for the accuracies to carefully compare the two methods with respect to speed. We have developed and implemented highly efficient algorithms for both methods for a serial computer (a SPARCstation ELC) as well as a parallel computer (a T800 transputer based MEIKO computer). Breakevens in the range between N = 10 000 and N = 30 000 were found for reasonable values of the average accuracies found in our simulations. Furthermore, we illustrate how huge but rare single charge pair errors in the FMM inflate the error for some of the charges.     

Fully Symbolic Model Checking of Timed Systems using Difference Decision Diagrams

Current approaches for analyzing timed systems are based on an explicit enumeration of the discrete states and thus these techniques are only capable of analyzing systems with a handful of timers and a few thousand states. We address this limitation by describing how to analyze a timed system fully symbolically, i.e., by representing sets of discrete states and their associated timing information implicitly. We demonstrate the efficiency of the symbolic technique by computing the set of reachable states for a non-trivial timed system and compare the results with the state-of-the-art tools Kronos and Uppaal. With an implementation based on difference decision diagrams, the runtimes are several orders of magnitudes better. The key operation in obtaining these results is the ability to advance time symbolically. We show how to do this efficiently by essentially quantifying out a special variable z which is used to represent the constant zero. The symbolic manipulations given in this paper are sufficient to verify TCTL-formulae fully symbolically.     

Explaining adoption of end of pipe solutions and clean technologies—Determinants of firms’ investments for reducing emissions to air in four sectors in Sweden

We estimate firms’ probability of technological adoption based on a firm level panel data set from four major sectors in Sweden between 2000 and 2003. Technological adoption is measured by environmental protection investments (EPI), and we focus particularly on differences between the decisions to adopt end of pipe solutions and clean technologies. We find that there seem to be different drivers for investments in end of pipe solutions and clean technologies, in particular we show that the probability of a firm investing in clean technologies to reduce emissions to air increases if the firm has expenditures for R&D related to environmental protection (green R&D), while price on energy is important for the investment in end of pipe solutions. Furthermore, our results indicate complementarity between the two types of technologies.     

Finite-time consensus protocols for multi-dimensional multi-agent systems

A finite-time consensus protocol is proposed for multi-dimensional multi-agent systems, using direction-preserving signum controls. Filippov solutions and nonsmooth analysis techniques are adopted to handle discontinuities. Sufficient and necessary conditions are provided to guarantee infinite-time convergence and boundedness of the solutions. It turns out that the number of agents which have continuous control law plays an essential role in finite-time convergence. In addition, it is shown that the unit balls introduced by ?p norms, where p∈[1,∞], are invariant for the closed loop.     

Data‐driven Analysis of Sulfur Flows and Behaviour in the Blast Furnace

Sulfur has for long been known as a problematic element for the quality of iron, but along with its accumulation it also causes physical problems in the blast furnace, so it is of central importance to safeguard its removal from the process. Sulfur‐related problems in the blast furnace were studied by applying a balance equation for the element at three industrial blast furnaces, tracking errors in the in‐ and outflows and estimating changes in the amount of accumulated sulfur. A hypothesis on the behaviour of sulfur in the process was proposed and supporting evidence of it was found through an analysis of dynamic phenomena in the hearth of one of the furnaces.     

A large-time-stepping scheme for balance equations

A well-balanced, large-time-stepping method for conservation laws with source terms is presented. The numerical method is based on a local reformulation of the balance law as a conservation law with a discontinuous flux function, and the approximate solution of this equation by a front tracking method. This yields an unconditionally stable method which is particularly well suited to calculate stationary states. The viability of this approach is demonstrated by several numerical examples. KHK has been supported in part by an Outstanding Young Investigators Award from the Research Council of Norway.     

Electroless deposition and silicidation of Ni contacts into p-type Porous Silicon

Porous Silicon (PS) has attracted much attention since the discovery of its photo luminescent behavior. It has also been used for various other applications such as electroluminescent light emitting-diodes (LEDs), photodetectors and solar cells. For such devices, it is important to make good metallic Ohmic contacts to the PS in order to maximize the efficiency. In order to produce buried contacts, barrier layers, Schottky devices, etc. in PS, it is advantageous to deposit metal that covers not only the surface of the porous layer, but also the inside walls and the bottom of the pores. In this work experiments were performed to examine the morphology and properties of electroless deposition of Nickel into p-type PS and subsequent formation of Nickel silicide after heat treatment. Circular PS samples of 6 mm diameter were produced by anodizing p-type Silicon wafers for 15 min and were subsequently plated with Ni using three different plating baths. The pores are on average 20 μm deep and 4 μm wide. Two samples of each type were heat treated in an nitrogen atmosphere for one hour at 400 and 600°C respectively to produce Nickel silicide. Reference samples were made by means of electron beam evaporation of Ni. SEM micrographs show that the best pore coverage was achieved using the Ni plating bath containing hypophosphite. I–V characterization shows that different rectifying and Ohmic contacts can be formed between electroless deposited Ni and PS depending on the conditions of the heat treatment. XRD and EDX characterizations show that both the NiSi and Ni₂Si phases exist in the sample at the same time.      

Associations between persistent organic pollutants and vitamin status in Brünnich's guillemot and common eider hatchlings

The aim of the study was to examine associations between persistent organic pollutants and vitamin A (retinol), retinyl palmitate and vitamin E status (alpha-tocopherol) in two species occupying different trophic positions in the Arctic food web. Levels of polychlorinated biphenyls (PCBs), some selected organochlorine pesticides (OCPs), polybrominated diphenyl ethers (PBDEs) and hexabromocyclododecane (HBCD) were analyzed in yolk sac of newly hatched chicks of Brünnich's guillemot (Uria lomvia) and common eider (Somateria mollissima) from Kongsfjorden, Svalbard (Norwegian Arctic) (79 degrees N). Morphological variables were measured, and levels of retinol, retinyl palmitate and alpha-tocopherol were analyzed in plasma and liver. Brünnich's guillemot had significantly higher levels of POPs than common eider, as expected from its higher trophic position. Morphological traits seemed to be negatively related to POPs in Brünnich's guillemots, but not in common eiders. In Brünnich's guillemot, negative relationships were found between some OCPs (hexachlorobenzene, oxychlordane, p,p'-DDE) and liver alpha-tocopherol levels. The negative relationships between these OCPs and liver alpha-tocopherol levels in Brünnich's guillemot hatchlings became less evident when the confounding effect of liver mass was corrected for. In common eider positive relationships were found between summed PCB (SigmaPCBs) and some OCPs (beta-hexachlorocyclohexane, oxychlordane) and liver alpha-tocopherol levels. Differences in relationships between POPs and vitamin status in the two species may be related to differences in POP exposure levels linked to their trophic position in the Arctic marine food web, or to intrinsic physiological differences between the species.