Monte Carlo simulation of electric conductivity for pure and doping fullerene (C60)

In this paper, we have used Monte Carlo (MC) method to simulate and study the temperature and doping effects on the electric conductivity of fullerene (C60). The results show that the band gap has reduced by the doping and the charge carrier transport is facilitated from valence band to conduction band by the temperature where is touched a 300 K. In this case, the conductivity reached a value of $4\times {10}^{-7}\text{S}{\text{cm}}^{-1}$. The electric conductivity of C60 can increase by the triphenylmethane dye crystal violet (CV) alkali metal to reach $4\times {10}^{-3}\text{S}{\text{cm}}^{-1}$ at 303 K. Our results of MC simulation have a good agreement with those extracted from literature [10], [33].     

Linearization of column responses by correlation chromatography. Separation improvement and reduction of undesired adsorption effects

Summary Experiments and simulations prove that correlation chromatography can greatly reduce the disadvantage of a non-linear response of the chromatographic column. A factor that has been accepted as being an important source of error in correlation or multiplex chromatography, has been shown not to be. Separations affected, improve dramatically when correlation chromatography is used, and a substantial amount of correlation noise only arises when there is a large difference in separation between a conventional chromatogram and a correlogram.A model has been developed for simulating these nonlinearities. It is shown that, especially for correlation chromatography, the simulation results match the practical measurements very well.     

Non-universal critical behaviour of heteronuclear dimers on a square lattice––A Monte Carlo study

Monte Carlo simulation within the grand canonical ensemble, the histogram reweighting technique, and finite size scaling analysis are used to explore the phase behaviour of heteronuclear dimers, composed of A and B type atoms, on a square lattice. We have found that for the models with attractive BB and AB nearest-neighbour energy, u_BB=u_AB=−1, and for non-repulsive energy between AA nearest-neighbour sites, u_AA<0, the system belongs to the universality class of the two-dimensional Ising model. However, when u_AA>0, the system exhibits a non-universal critical behaviour. We have evaluated the dependences of the critical point characteristics on the value of u_AA.     

Using activity focus networks to pressure terrorist organizations

The predominant idea for using network concepts to fight terrorists centers on disabling key parts of their communication networks. Although this counternetwork strategy is clearly a sound approach, it is vulnerable to missing, incomplete, or erroneous information about the network. This paper describes a different and complementary application of network concepts to terrorist organizations. It is based on activity focus networks (AFNs), which represent the complex activity system of an organization. An activity focus is a conceptual or physical entity around which joint activity is organized. Any organization has a number of these, which are in some cases compatible and in some cases incompatible. The set of foci and their relations of compatibility and incompatibility define the AFN. A hypothetical AFN for a terrorist organization is specified and tested in a simulation called AQAS. It shows that certain activity foci, and in particular one combination, have high potential as pressure points for the activity system. The AFN approach complements the counternetwork approach by reducing the downside risk of incomplete information about the communication network, and enhancing the effectiveness of counternetwork approaches over time. Steven R. Corman is Professor in the Hugh Downs School of Human Communication at Arizona State University and Chair of the Organizational Communication Division of the International Communication Association. His research interests include communication networks and activity systems, high-resolution text and discourse analysis, and modeling and simulation of human communication systems.     

Approximation of photonuclear interaction cross-sections

Photonuclear interaction cross-sections from the GEANT4 database are approximated for all nuclei and all energies (from the hadron production threshold to about 40 TeV). The approximation methods in the giant-dipole resonance region, nucleon resonance region, and high-energy region are improved with respect to existing approximations. As an application of the approximation for photonuclear cross-sections, an improved method of calculating electronuclear cross-sections is developed. The interaction cross-section of virtual photons with nuclei at high Q² are approximated and a simple algorithm for describing the electronuclear reactions, including high-Q² scattering, is proposed. Received: 22 February 2002 / Accepted: 6 May 2002     

Construction algorithms for polynomial lattice rules for multivariate integration

We introduce a new construction algorithm for digital nets for integration in certain weighted tensor product Hilbert spaces. The first weighted Hilbert space we consider is based on Walsh functions. Dick and Pillichshammer calculated the worst-case error for integration using digital nets for this space. Here we extend this result to a special construction method for digital nets based on polynomials over finite fields. This result allows us to find polynomials which yield a small worst-case error by computer search. We prove an upper bound on the worst-case error for digital nets obtained by such a search algorithm which shows that the convergence rate is best possible and that strong tractability holds under some condition on the weights.

We extend the results for the weighted Hilbert space based on Walsh functions to weighted Sobolev spaces. In this case we use randomly digitally shifted digital nets. The construction principle is the same as before, only the worst-case error is slightly different. Again digital nets obtained from our search algorithm yield a worst-case error achieving the optimal rate of convergence and as before strong tractability holds under some condition on the weights. These results show that such a construction of digital nets yields the until now best known results of this kind and that our construction methods are comparable to the construction methods known for lattice rules.

We conclude the article with numerical results comparing the expected worst-case error for randomly digitally shifted digital nets with those for randomly shifted lattice rules.

     

Tomographic reconstruction using heuristic Monte Carlo methods

A tomographic reconstruction method based on Monte Carlo random searching guided by the information contained in the projections of radiographed objects is presented. In order to solve the optimization problem, a multiscale algorithm is proposed to reduce computation. The reconstruction is performed in a coarse-to-fine multigrid scale that initializes each resolution level with the reconstruction of the previous coarser level, which substantially improves the performance. The method was applied to a real case reconstructing the internal structure of a small metallic object with internal components, showing excellent results.     

Methods for implementing the stream boundary condition in DSMC computations

In the direct simulation Monte‐Carlo (DSMC) method for simulating rarefied gas flows, the velocities of simulator particles that cross a simulation boundary and enter the simulation space are typically generated using the acceptance–rejection procedure that samples the velocities from a truncated theoretical velocity distribution that excludes low and high velocities. This paper analyses an alternative technique, where the velocities of entering particles are obtained by extending the simulation procedures to a region adjacent to the simulation space, and considering the movement of particles generated within that region during the simulation time step. The alternative method may be considered as a form of acceptance–rejection procedure, and permits the generation of all possible velocities, although the population of high velocities is depleted with respect to the theoretical distribution. Nevertheless, this is an improvement over the standard acceptance–rejection method. Previous implementations of the alternative method gave a number flux lower than the theoretical number required. Two methods for obtaining the correct number flux are presented. For upstream boundaries in high‐speed flows, the alternative method is more computationally efficient than the acceptance–rejection method. However, for downstream boundaries, the alternative method is extremely inefficient. The alternative method, with the correct theoretical number flux, should therefore be used in DSMC computations in favour of the acceptance–rejection method for upstream boundaries in high‐speed flows. Copyright © 2003 John Wiley & Sons, Ltd.     

Parametric and Non Homogeneous Semi-Markov Process for HIV Control

In AIDS control, physicians have a growing need to use pragmatically useful and interpretable tools in their daily medical taking care of patients. Semi-Markov process seems to be well adapted to model the evolution of HIV-1 infected patients. In this study, we introduce and define a non homogeneous semi-Markov (NHSM) model in continuous time. Then the problem of finding the equations that describe the biological evolution of patient is studied and the interval transition probabilities are computed. A parametric approach is used and the maximum likelihood estimators of the process are given. A Monte Carlo algorithm is presented for realizing non homogeneous semi-Markov trajectories. As results, interval transition probabilities are computed for distinct times and follow-up has an impact on the evolution of patients.