Search results for "Computer Science Application"
showing 10 items of 3998 documents
Quantifying Artifacts in Ewald Simulations of Inhomogeneous Systems with a Net Charge
2014
Ewald summation, which has become the de facto standard for computing electrostatic interactions in biomolecular simulations, formally requires that the simulation box is neutral. For non-neutral systems the Ewald algorithm implicitly introduces a uniform background charge distribution that e ectively neutralizes the simulation box. Because a uniform distribution of counter charges typically deviates from the spatial distribution of counterions in real systems, artifacts may arise, in particular in systems with an inhomogeneous dielectric constant. Here we derive an analytical expression for the e ect of using an implicit background charge instead of explicit counterions, on the chemical po…
Electromechanical properties of a disc‐type salient‐pole brushless DC motor with different pole numbers
2003
A brushless, permanent magnet, three‐phase disc‐type salient‐pole DC motor with co‐axial flux in the stator is considered. Electromechanical properties of a basic eight‐pole motor are compared with those for a 16‐pole one of the same volume, in order to contrast the two potential candidates for variable‐speed, low‐cost drives. As a basis of the comparative analysis, 3D FEM magnetic field modelling and circuit analysis considering an electronic commutator are employed. Increasing the number of poles results in unfavourable raising in the switching frequency. The eight‐pole motor construction has been shown in simulations to have higher efficiency and lower power losses than its 16‐pole count…
A Chemical Index Inspired by Biological Plastic Evolution: Valence-Isoelectronic Series of Aromatics
2004
Plastic evolution is a new perspective of the evolutionary process conjugating the effect, on one hand, of the acquired characters and, on the other, of the relationships that emerge among the principle of evolutionary indeterminacy, the principle of morphologic determination, and natural selection. Plastic evolution is applied to design the coordination index Ic. Ic is used to characterize the valence-isoelectronic series of cyclopentadiene, benzene, toluene, and styrene and compared to charge indices for dipole moment. The parameters needed to calculate Ic are minus the standard enthalpy of formation T, molecular surface area S, and molecular weight W. With the exception of the O heteromo…
Calibration of Cholesky Auxiliary Basis Sets for Multiconfigurational Perturbation Theory Calculations of Excitation Energies
2010
The accuracy of auxiliary basis sets derived from Cholesky decomposition of two-electron integrals is assessed for excitation energies calculated at the state-average complete active space self-consistent field (CASSCF) and multiconfigurational second order perturbation theory (CASPT2) levels of theory using segmented as well as generally contracted atomic orbital basis sets. Based on 196 valence excitations in 26 organic molecules and 72 Rydberg excitations in 3 organic molecules, the results show that Cholesky auxiliary basis sets can be used without compromising the accuracy of the multiconfigurational methods. Specifically, with a decomposition threshold of 10(-4) au, the mean error due…
LATTICE–BOLTZMANN SIMULATION OF DENSE NANOFLOWS: A COMPARISON WITH MOLECULAR DYNAMICS AND NAVIER–STOKES SOLUTIONS
2007
In a recent work, a dense fluid flow across a nanoscopic thin plate was simulated by means of Molecular Dynamics (MD) and Lattice Boltzmann (LB) methods. It was found that in order to recover quantitative agreement with MD results, the LB simulation must be pushed down to sub–nanoscopic scales, i.e. fractions of the range of molecular interactions. In this work, we point out that in this sub–nanoscopic regime, the LB method works outside the hydrodynamic limit at the level of a single cell spacing. A quantitative comparison with the Navier–Stokes (NS) solution shows however that LB and NS results are quite similar, thereby indicating that, apart for a small region past the plate, this nano…
Development of the wide field imager for Athena
2015
The WFI (Wide Field Imager) instrument is planned to be one of two complementary focal plane cameras on ESA's next X-ray observatory Athena. It combines unprecedented survey power through its large field of view of 40 arcmin x 40 arcmin together with excellent count-rate capability (>= 1 Crab). The energy resolution of the silicon sensor is state-of-the-art in the energy band of interest from 0.2 keV to 15 keV, e.g. the full width at half maximum of a line at 6 keV will be <= 150 eV until the end of the nominal mission phase. This performance is accomplished by using DEPFET active pixel sensors with a pixel size of 130 μm x 130 μm well suited to the on-axis angular resolution of 5 arcsec of…
A Non-Stationary Mobile-to-Mobile Channel Model Allowing for Velocity and Trajectory Variations of the Mobile Stations
2017
In mobile-to-mobile (M2M) communication systems, both the transmitter and the receiver are moving with a certain velocity, which is usually assumed to be constant over time. However, in realistic propagation scenarios, the velocity of the mobile stations (MSs) is subject to changes resulting in a non-stationary fading process. In this paper, we develop a non-stationary narrow-band M2M multipath fading channel model, where the transmitter and the receiver experience changes in their velocities and trajectories. For this model, we derive expressions for the local autocorrelation function (ACF), the Wigner-Ville spectrum, the local average Doppler shift, and the local Doppler spread under isot…
CNN-based People Detection in Voxel Space using Intensity Measurements and Point Cluster Flattening
2021
In this paper real-time people detection is demonstrated in a relatively large indoor industrial robot cell as well as in an outdoor environment. Six depth sensors mounted at the ceiling are used to generate a merged point cloud of the cell. The merged point cloud is segmented into clusters and flattened into gray-scale 2D images in the xy and xz planes. These images are then used as input to a classifier based on convolutional neural networks (CNNs). The final output is the 3D position (x,y,z) and bounding box representing the human. The system is able to detect and track multiple humans in real-time, both indoors and outdoors. The positional accuracy of the proposed method has been verifi…
Analytical description of lobster eye and similar multi-foil optics
2015
Analytical equations describing lobster eye optical parameters on dependence on its geometric parameters are presented. The paper partially gives review of main previously known results. At next, the paper gives new results discussing parameters, that were not included to previously published models but may be significant. The results are applicable for a Schmidt as well as for an Angel lobster eye and for some related multi-foil systems.
Searches for neutrinoless resonant double electron captures at LNGS
2012
Several experiments were performed during last years at underground (3600 m w.e.) Laboratori Nazionali del Gran Sasso (LNGS) of the INFN (Italy) to search for resonant 2$\varepsilon0\nu$ captures in 96Ru, 106Cd, 136Ce, 156Dy, 158Dy, 180W, 184Os, 190Pt with the help of HP Ge semiconductor detectors, and ZnWO4 and 106CdWO4 crystal scintillators. No evidence for r-2$\varepsilon0\nu$ decays was found, and only T_{1/2} limits were established in the range of 10^{14}-10^{21} yr.