UK PubMed Central (United Kingdom)

Genetic algorithms (GA) were used to develop specific copper metal-ligand force field parameters for the MM3 force field, from a combination of crystallographic structures and ab initio...Full Text Available

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This paper presents fundamental researches based on the electronic structure calculations and X absorption spectroscopy, allowing the knowledge on nuclear fuels at an atomic scale. They bring a better understanding of these material behavior to accurate the macroscopic simulation. The calculation methods, the experimental techniques of validation and the ab initio calculations results are detailed. (A.L.B.)

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We present a formulation of ab initio electronic structure calculations in a finite magnetic field, which retains the simplicity and efficiency of techniques widely used in first principles molecular dynamics simulations, based on plane-wave basis sets and Fourier transforms. In addition we discuss results obtained with this method for the energy spectrum of interacting electrons in quantum wells, and for the electronic properties of dense fluid deuterium in a uniform magnetic field.

Energy Technology Data Exchange (ETDEWEB)

This conference was held December 4--8, 1994 in Asilomar, California. The purpose of this meeting was to provide a forum for exchange of state-of-the-art information concerning the prediction of protein structure. Attention if focused on the following: comparative modeling; sequence to fold assignment; and ab initio folding.

UK PubMed Central (United Kingdom)

Electronic and structural properties of antiphase boundaries in group III-V semiconductor compounds have been receiving increased attention due to the potential to integration of optically-active III-V...Full Text Available

International Nuclear Information System (INIS)

Ab initio total-energy calculations, based on the exact muffin-tin orbital method, are used to determine the elastic properties of Pd1-xAgx random alloys in the face-centered-cubic crystallographic phase. The compositional disorder is treated within the coherent-potential approximation. The single crystal and polycrystalline elastic constants and the Debye temperature are calculated for the whole range of concentration, 0?x?1. It is shown that the variation in the elastic parameters of Pd-Ag alloys with chemical composition strongly deviates from a simple linear or parabolic trend. The complex electronic origin of these anomalies is demonstrated.

International Nuclear Information System (INIS)

By using a variational Monte Carlo method, we examine an effective low-energy model for LaFeAsO derived from an ab initio downfolding scheme. We show that quantum and many-body fluctuations near the antiferromagnetic (AF) quantum critical point largely reduce the antiferromagnetic ordered moment. Our derived model not only quantitatively reproduces the small ordered moment in LaFeAsO, but also accounts for the diversity from LaFePO, BaFe_2As_2 to FeTe. Electron correlation is found to determine the observed material dependence. We also find that LaFeAsO is subject to large orbital fluctuations, sandwiched by the AF Mott insulator and weakly correlated metals. The orbital fluctuations and Dirac-cone dispersion hold keys for the diverse magnetic properties. (author)

International Nuclear Information System (INIS)

The structure of ammonium azide (NH_4)N_3 was (re-)determined ab initio from x-ray powder diffraction experiment using synchrotron radiation. We tried to detail and comment the different steps involved in the structure determination. The compound crystallize in the orthorhombic Pmna space group (no.53) with a = 8.937(1) A, b= 3.8070(5) A, c = 8.664(1) A, V = 294.79(7) A"3; Z= 4. It was possible to locate and refine the hydrogen coordinates, in two different approaches, and to establish the H-bonds. The final structural parameters are in good agreement with previous results based on three-dimensional neutron diffraction. (Author)

Science.gov (United States)

Ab initio lattice dynamics based on linear response method are performed for high pressure phase of yttrium to describe electron-phonon coupling and subsequent superconducting behavior. The critical temperature Tc in fcc-Y increases monotonically with pressure up to 9.25 K at 31 GPa, which is quantitatively in excellent agreement with two quasihydrostatic experiments and is qualitatively compatible with recent experiments. The excellent agreement with experiments gives us a better understanding of the effective pseudopotential ?* as well as spectral function ?2(?)F(?) in yttrium. These results demonstrate that there exists strong electron-phonon coupling in Y within the studied pressure regime, and for lower pressure electron correlation becomes stronger. Generally, it is found that superconductivity in yttrium under pressure can be described quantitatively within standard theory of phonon-mediated superconductivity.

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Ab initio planewave pseudopotential method is used to study carbon diffusion and pairing in crystalline silicon. The calculation is performed with a 40 Ry planewave cutoff and 2x2x2 special k-point sampling with a supercell of 64 atoms. It is found that substitutional carbon attracts interstitial Si forming a <001> C interstitial with a large binding energy of 1.45 eV. The interstitial carbon is mobile and can migrate with a migration energy of 0.5 eV. The interstitial carbon can bind further to another substitutional carbon forming a substitutional carbon-interstitutional carbon pair with a binding energy of 1.0 eV. This model is used to understand the effect of high C concentration on the transient enhanced diffusion in Si.

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This book examines some of the basic principles behind chemical reactions kinetics. Topics considered include ab initio determination of potential energy for chemical reactions; semi-empirical potential energy surfaces; general theory of reactive scattering: different equation approach; and integral equation approach to reactive scattering.

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We have measured the oxygen positions in LaNiO{sub 3} films to elucidate the coupling between epitaxial strain and oxygen octahedral rotations. The oxygen positions are determined by comparing the measured and calculated intensities of half-order Bragg peaks, arising from the octahedral rotations. Combining ab initio density-functional calculations with these experimental results, we show how strain systematically modifies both bond angles and lengths in this functional perovskite oxide.

International Nuclear Information System (INIS)

Using ab initio (SCF/6-31G) method, mechanisms of proton migrations in methaboric acid dimers have studied. It is shown that in all the dimers considered a cooperative transfer of protons occurs. The calculated values of activation barriers of cooperative proton transfer reactions in the dimers are equal to 28.6 kcal/mol.

International Nuclear Information System (INIS)

The structural parameters of various Haegg phases (H or M_n_+_1AX_n phases) are studied experimentally by x-ray and electron spectroscopies, x-ray diffraction, and ab initio full potential as well as full mutiple scattering theoretical calculations. Experimentally it was found that the structure of all ternary compounds analyzed herein are relaxed. The values of the lattice parameters and relaxations obtained from ab initio calculations are in excellent agreement with those deduced from the analysis of the experimental data. The bonding scheme has been analyzed and the charge transfer between constituting atoms determined. It is demonstrated that the strength and electrical transport properties in these materials are principally governed by the metallic planes. For the solid solution (Ti_0_._5Nb_0_._5)_2AlC, the most salient result is that the basal planes are corrugated, which could explain the solid ...

CERN Document Server

We improve the steady-state ab initio laser theory (SALT) of Tureci et al. by expressing its fundamental self-consistent equation in a basis set of threshold constant flux states that contains the exact threshold lasing mode. For cavities with non-uniform index and/or non-uniform gain, the new basis set allows the steady-state lasing properties to be computed with much greater efficiency. This formulation of the SALT can be solved in the single-pole approximation, which gives the intensities and thresholds, including the effects of nonlinear hole-burning interactions to all orders, with negligible computational effort. The approximation yields a number of analytic predictions, including a "gain-clamping" transition at which strong modal interactions suppress all higher modes. We show that the single-pole approximation agrees well with exact SALT calculations, particularly for high-Q cavities. Within this range of validity, it provides an ...

International Nuclear Information System (INIS)

Using an ab initio pseudopotential method within a generalized gradient approximation of the density functional theory, the structural, electronic, and phonon properties of SrS in the B1 (NaCl) and B2 (CsCl) structures have been studied. The calculated lattice constants, static bulk modulus, and first-order pressure derivative of the bulk modulus are reported for both the B1 and B2 structures and compared with previous experimental and theoretical calculations. Electronic band structures and densities of states have been derived for SrS. Subsequently, a linear-response approach to the density functional theory is used to derive the phonon frequencies and densities of states.

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We report a study of the nonmetal-metal transition of free-standing Pd{sub N} clusters (2{<=}N{<=}21) carried out through two different theoretical approaches that are extensively employed in electronic structure calculations: a semi-empirical tight-binding (TB) model and an ab initio DFT pseudopotential model. The calculated critical size for the metallic transition decreases rapidly with the temperature and an oscillatory dependence with the cluster size is obtained, particularly in the DFT approach. The TB model describes the metallic behavior for cluster sizes beyond N{approx}12 well. Our obtained critical size at room temperature is of the order of the experimental estimation.

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We present results from ab-initio electronic-structure calculations of mechanical properties of the rhombohedral phase of vanadium reported in recent experiments (R Ia), and other predicted high-pressure phases (R Ib and bcc), focusing on properties relevant to dynamic experiments. We find that of the three transitions the largest volume collapse (1.3%) is for the R Ia to R Ib transition. Calculations of the single crystal and polycrystal elastic constants reveal a remarkably small discontinuity across the phase transitions even at zero temperature where the transitions are first order.

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We present results from a kinetic Monte Carlo simulation of boron transient enhanced diffusion (TED) in silicon. Our approach avoids the use of phenomenological fits to experimental data by using a complete and self-consistent set of values for defect and dopant energetics derived mostly from {ital ab initio} calculations. The results predict that, during annealing of 40 keV B-implanted Si at 800{degree}C, there exists a time window during which all the implanted boron atoms are substitutional. At earlier or later times, the interactions between free silicon self-interstitials and boron atoms drive the growth of boron clusters and result in an inactive boron fraction. The results show that the majority of boron TED takes place during the growth period of interstitial clusters and not during their dissolution. {copyright} {ital 1998 American Institute of Physics.}

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The portion of the potential energy surface (PES) of acetylacetone relevant for the intramolecular proton transfer reaction is studied using ab initio and DFT methods. The best estimate of the barrier governing proton transfer was found to be 3.4 kcal mol{sup -1} at the MP4(FC)/6-311 + G(2d,2p)//MP2(FC)/6-311 + G(2d,2p) level of theory. Six stationary points on the PES were characterized as well as the reaction paths connecting these points. Special attention paid to the pathway of intramolecular proton transfer reveals that the internal rotation of the methyl group adjacent to the carbonyl group and the proton transfer reaction are consecutive processes.

International Nuclear Information System (INIS)

The electronic structures of the set of molecular clusters of dielectric oxide crystals AWO4 (A = Pb, Cd, Zn), the sizes of which increase sequentially are ab-initio calculated by the Restricted Hartree-Fock (RHF) method. The results of calculations of molecular orbitals and energy dependences of partial densities of electronic states of different clusters are compared each to other and to experimental data. It is found that calculated electronic structures of the tungstate groups and cations which are surrounded in cluster by certain number of the nearest neighbor atoms of the crystals quite well represent the experimentally obtained value of the forbidden gap of corresponding AWO4 crystal. (authors)

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Electrostatic fields of the order of 1 V/Angst, as they occur at field emission tips, are comparable to those experienced by valence electrons in atoms and molecules. Such fields are strong enough to induce a significant redistribution of the valence charge in chemical bonds. In this work we investigate the effects on the electronic properties of a single adatom on a metal surface induced by the presence of an electrostatic field. In particular we present the results of a full ab initio DFT calculation, within the embedding method, of the CCV Auger spectra of Si and Mg atoms in and on a jellium-Ag host. Differently from impurities in bulk, Auger spectral profiles of adsorbates on metal surfaces can show notable modifications due to the applied electric field.

International Nuclear Information System (INIS)

We have performed ab initio calculations on a wide range of small molecules, demonstrating the accuracy and flexibility of an alternative method for calculating the electronic structure of molecules, solids, and surfaces. It is based on the local-density approximation (LDA) for exchange and correlation and the nonlinear augmented-plane-wave method. Very accurate atomic forces are obtained directly. This allows for implementation of Car-Parrinello-like techniques to determine simultaneously the self-consistent electron wave functions and the equilibrium atomic positions within an iterative scheme. We find excellent agreement with the best existing LDA-based calculations and remarkable agreement with experiment for the equilibrium geometries, vibrational frequencies, and dipole moments of a wide variety of molecules, including strongly bound homopolar and polar molecules, hydrogen-bound and electron-deficient molecules, and weakly bound alkali ...

International Nuclear Information System (INIS)

A systematic study for the materials design of III-V and II-VI compound-based ferromagnetic diluted magnetic semiconductors is given based on ab initio calculations within the local spin density approximation. The electronic structures of 3d-transition-metal-atom-doped GaN and Mn-doped InN, InP, InAs, InSb, GaN, GaP, GaAs, GaSb, AlN, AlP, AlAs and AlSb were calculated by the Korringa-Kohn-Rostoker method combined with the coherent potential approximation. It is found that the ferromagnetic ground states are readily achievable in V-, Cr- or Mn-doped GaN without any additional carrier doping treatments, and that InN is the most promising candidate for high-T_C ferromagnet. A simple explanation of the systematic behavior of the magnetic states in III-V and II-VI compound-based diluted magnetic semiconductors is also given. It is also shown that V or Cr-doped ZnS, ZnSe, and ZnTe are ferromagnetic without p- or n-type doping treatment. However, Mn-, ...

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(12/11)CASSCF and (12/11)CASPT2 ab initio electronic structure calculations with both the cc-pVDZ and cc-pVTZ basis sets find that there is a barrier to the very exothermic hydrogen shift that converts singlet methylnitrene, CH{sub 3}N, to methyleneimine, H{sub 2}C{double{underscore}bond}NH. These two energy minima are connected by a transition structure of C{sub s} symmetry, which is computed to lie 3.8 kcal/mol above the reactant at the (12/11)CASPT2/cc-pVTZ//(12/11)CASSCF/cc-pVTZ level of theory. The (12/11)CASSCF/cc-pVTZ value for the lowest frequency vibration in the transition structure is 854 cm{sup {minus}1}, and CASPT2 calculations concur that this a{double{underscore}prime} vibration does indeed have a positive force constant. Thus, there is no evidence that this geometry is actually a mountain top, rather than a transition structure, on the global potential energy surface or that a C{sub 1} pathway of lower energy connects the ...

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We report the results of ab initio calculations of cross sections and molecular-frame photoelectron angular distributions for C 1s ionization of CO2, and propose a mechanism for the recently observed asymmetry of those angular distributions with respect to the CO^+and O^+ions produced by subsequent Auger decay. The fixed-nuclei, photoionization amplitudes were constructed using variationally obtained electron-molecular ion scattering wave functions. We have also carried out electronic structure calculations which identify a dissociative state of the CO2^++ dication that is likely populated following Auger decay and which leads to O^+ + CO^+ fragment ions. We show that a proper accounting of vibrational motion in the computation of the photoelectron angular distributions, along with reasonable assumptions about the nuclear dissociation dynamics, gives results in good agreement with recent experimental observations. We also demonstrate that ...

International Nuclear Information System (INIS)

We studied the influence of alloying on the structural and electronic properties of the unrelaxed and relaxed Si_1_-_yC_y random alloys by means of ab initio theoretical calculations using two methods: (i) a supercell approach in connection with the plane-wave pseudopotential method; (ii) the full-potential augmented plane-wave plus local orbitals (APW+lo) method. The first method is used to obtain the relaxed atomic structure. The relaxed atomic positions obtained by pseudopotential calculations were used to calculate the band structure via the second method. The local density approximation was used for the exchange and correlation energy density functional. We investigated the lattice parameters and band gap energies. We found that a quite smaller gap appears in the neighborhood of y=0.03125 concentration of C atoms. The band gap shows a large anomalous bowing and is strongly composition dependent. The electron densities of states for the ...

International Nuclear Information System (INIS)

We investigate some aspects of the radiation damage mechanisms in biomolecules, focusing on the modelling of resonant fragmentation caused by the attachment of low-energy electrons (LEEs) initially ejected by biological tissues when exposed to ionizing radiation. Scattering equations are formulated within a symmetry-adapted, single-center expansion of both continuum and bound electrons, and the interaction forces are obtained from a combination of ab initio calculations and a nonempirical model of exchange and correlation effects developed in our group. We present total elastic scattering cross-sections and resonance features obtained for the equilibrium geometries of glycine, alanine, proline and valine. Our results at those geometries of the target molecules are briefly shown to qualitatively explain some of the fragmentation patterns obtained in experiments. We further carry out a one-dimensional (1D) modeling for the dynamics of ...

DEFF Research Database (Denmark)

It is well established from experiments in premixed, laminar flames, jet-stirred reactors, flow reactors, and batch reactors that SO2 acts to catalyze hydrogen atom removal at stoichiometric and reducing conditions. However, the commonly accepted mechanism for radical removal, SO2 + H(+M) reversible arrow HOSO(+M), HOSO + H/OH reversible arrow SO2 + H-2/H2O, has been challenged by recent theoretical and experimental results. Based on ab initio calculations for key reactions, we update the kinetic model for this chemistry and re-examine the mechanism of fuel/SO2 interactions. We find that the interaction of SO, with the radical pool is more complex than previously assumed, involving HOSO and SO, as well as, at high temperatures also HSO, SH, and S. The revised mechanism with a high rate constant for H + SO2 recombination and with SO + H2O, rather than SO2 + H-2, as major products of the HOSO + H reaction is in agreement with a range of ...

British Library Electronic Table of Contents (United Kingdom)

The aim of this study was to evaluate cucurbitacins (Cucs) liver protective activity in vitro and conduct QSAR studies against lipophilicity and ab initio descriptors. Nine Cucs were isolated from Cucurbitaceae plants and eight prepared by C2-alkylation or C16-acylation. Ten Cucs demonstrated protective activity on human hepatocyte-derived HepG2 cells exposed to CCl4 (EC50=2.4-45.3mM) with good margin to toxicity (T/A). All Cucs exhibited anti-proliferative effect on serum-activated rat stellate cells, HSC-T6 (EC50=0.02-4.12mM) with high T/A. While silybin is nontoxic, its protection is lower compared to Cuc D (3), iso-D (4), I (5), B (11), E (12), I-Me (6), L-Me (7), and E-Me (13) on both cell lines. Strong correlations were found for lipophilicity with both protection and toxicity on Hep...

International Nuclear Information System (INIS)

In the presence of hydroxyl anion, both formaldehyde and glyoxal are known to undergo rearrangements involving intermolecular and intramolecular hydride transfer (the Cannizzaro and Benzilic acid rearrangements respectively). The authors report ab initio SCF-MO calculations of the transition state geometries, the activation barriers, and the hydrogen isotope effects for these two reactions. The structure of the transition state for the rection involving formaldehyde is usually basis set dependent, becoming more linear and symmetrical as the basis set size increases. In contrast, the analogous transition state for the glyoxal reaction involves a highly non-linear hydride transfer. They find the isotope effects to be quite low for the Cannizzaro reaction, and significantly larger for the non-linear benzilic acid rection, in apparent contradiction to Westheimer's suggestion the isotope effects reach a maximum for linear hydrogen transfers. Since ...

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The isotope shifts of the levels 5p/sup 2/ /sup 1/D/sub 2/, /sup 1/S/sub 0/ and 5sns /sup 1/S/sub 0/(n = 7,8) of strontium have been measured between the isotopes 84, 86, 87 and 88 in two-photon transitions from the ground state, using two lasers with different wavelengths. These levels occur below the beginning of the Rydberg series, and are known to exhibit very strong configuration mixing. Mass and field isotope shifts are calculated ab initio by means of the MCHF method for these levels and 5s4d /sup 1/D2, 5s6s /sup 1/S/sub 0/. The qualitative agreement between theory and experiment confirms the necessity of taking into account the mixing (up to 50%) with both the 5p/sup 2/ and 4d/sup 2/ perturbers in the wavefunction expansions.

International Nuclear Information System (INIS)

The isostructural uranium monopnictides and monochalcogenides have become prototype systems in actinide research with respect to their unusual magnetic properties. We have investigated the origins in the electronic structure of the variation in magnetic behavior as the degree of 5f-electron localization changes from localized to itinerant on going up the pnictogen or chalcogen column, thus decreasing the U-U separation. We have applied a synthesis of: (1) A phenomenological theory of orbitally driven magnetic ordering which includes both the hybridization-induced and the RKKY exchange interactions on an equal footing, and (2) Ab initio electronic structure calculations, based on the linear-muffin-tin-orbital method, allowing a first-principles evaluation of the parameters entering the model Hamiltonian. We have investigated systematically characteristic trends and changes of the 5f-state resonance width, the hybridization potential, and the ...

British Library Electronic Table of Contents (United Kingdom)

Abstract Series of typical -type and pseudo--type halogen-bonded complexes BClY and BBrY and hydrogen-bonded complex BHY (B = C2H4, C2H2, and C3H6; Y = F, Cl, and Br) have been investigated using the MP2/aug-cc-pVDZ method. A striking parallelism was found in the geometries, vibrational frequencies, binding energies, and topological properties between BXY and BHY (X = Cl and Br). It has been found that the lengths of the weak bond d(X)/d(H), the frequencies of the weak bond (X)/(H), the frequency shifts (XY)/(HY), the electron densities at the bond critical point of the weak bonds c(X)/c(H), and the electron density changes c(XY)/c(HY) could be used as measures of the strengths of typical -type and pseudo--type halogen/hydrogen bonds. The typical -type and pseudo--type halogen bond and hyd...

CERN Document Server

Introduction to Genetic Algorithms

Energy Technology Data Exchange (ETDEWEB)

Increased nitrogen levels have been correlated with decreased ductility and elevated ductile-to-brittle transition temperature in pressure vessel steels [1]. However, the exact role played by nitrogen in the embrittlement of steels remains unclear. Miller and Burke have reported atom probe ion microscopy findings from neutron-irradiated low-alloy pressure vessel steel showing the presence of a 1 to 2 ruonolayer thick film of Mo, N, and C at prior austenitic grain boundaries (GB's) [2], suggesting a role for nitrogen as an intergranular embrittler. It is of interest for the development of mitigation strategies whether nitrogen must combine with other impurities to form nitride precipitates in order to exert an embrittling effect. Briant et al [1] have associated the embrittling effect of N in steels exclusively with intergranular nitride formation. This association suggests that high nitrogen levels may be acceptable if nitride precipitation at grain boundaries is suppressed. ...

Science.gov (United States)

The gas-phase reaction of benzene with O(3P) is of considerable interest for modeling of aromatic oxidation, and also because there exist fundamental questions concerning the prominence of intersystem crossing in the reaction. While its overall rate constant has been studied extensively, there are still significant uncertainties in the product distribution. The reaction proceeds mainly through the addition of the O atom to benzene, forming an initial triplet diradical adduct, which can either dissociate to form the phenoxy radical and H atom, or undergo intersystem crossing onto a singlet surface, followed by a multiplicity of internal isomerizations, leading to several possible reaction products. In this work, we examined the product branching ratios of the reaction between benzene and O(3P) over the temperature range of 300 to 1000 K and pressure range of 1 to 10 Torr. The reactions were initiated by pulsed-laser photolysis of NO2 in the presence of benzene and helium buffer in a ...

Energy Technology Data Exchange (ETDEWEB)

Noncollinear (NC) magnetism is common in nature, especially when there exist geometrical frustration and chemical imparity in the system. In this work we studied the NC magnetism and the response to external magnetic fields in surfaces and interfaces of transition metals by using an semi-empirical tight-binding (TB) method that parameterized to the ab initio TB-LMTO calculations. We implemented this method to study two systems. The first one is the system of 6 Mn monolayers on Fe(001) substrate. Due to the complex structure and magnetic properties of Mn, we found 23 collinear magnetic configurations but only one NC configuration. The collinear ground state has a layered antiferromagnetic (AFM) coupling which agrees with previous experiments and calculations. In the NC configuration the local AFM coupling in the Mn layers is preserved, but the surface is 90 degree coupled to the substrate. Similar to the experiment in CdCr{sub 2}O{sub 4}, we ...

Energy Technology Data Exchange (ETDEWEB)

Infrared spectra of bicyclo[1.1.1]pentane (C5H8) have been recorded at a resolution (0.0015 cm-1) sufficient to resolve for the first time individual rovibrational lines. This initial report presents the ground state constants for this molecule determined from the detailed analysis of three of the ten infrared-allowed bands, v14(e?) at 540 cm-1, v17(a2?) at 1220 cm-1, v18(a2?) at 832 cm-1, and a partial analysis of the v11(e?) band at 1237 cm-1. The upper states of transitions involving the lowest frequency mode, v14(e?), show no evidence of rovibrational perturbations but those for the v17 and v18 (a2?) modes give clear indication of Coriolis coupling to nearby e? levels. Accordingly, ground state constants were determined by use of the combination-difference method for all three bands. The assigned frequencies provided over 3300 consistent ground state difference values, yielding the following constants for the ground state (in units of cm-1): B0 = 0.2399412(2), DJ = 6.024(6) x 10-8, ...

Energy Technology Data Exchange (ETDEWEB)

A massively-parallel ab initio computer code, which uses Gaussian bases, pseudopotentials, and the local density approximation, permits the study of transition-metal systems with literally hundreds of atoms. We present total energies and relaxed geometries for Ru, Pd, and Ag clusters with N = 55, 135, and 140 atoms; we also used the DMOL code to study 13-atom Pd and Cu clusters, with and without hydrogen. The N = 55 and 135 clusters were chosen because of simultaneous cubo-octahedral (fcc) and icosahedral (icos) sub-shell closings, and we find icos geometries are preferred. Remarkably large compressions of the central atoms are observed for the icos structures (up to 6% compared with bulk interatomic spacings), while small core compressions ({approx} 1 %) are found for the fcc geometry. In contrast, large surface compressive relaxations are found for the fcc clusters ({approx} 2-3% in average nearest neighbor spacing), while the icos surface ...

International Nuclear Information System (INIS)

Ab initio total energy calculations within the framework of density functional theory have been performed for water molecule adsorption on the (0001) surface of double hexagonal packed americium using a full-potential all-electron linearized augmented plane wave plus local orbitals method (FP-L/APW+lo). Subsequent partial dissociation (OH+H) and complete dissociation (H+O+H) of the water molecule have been examined. The completely dissociated H+O+H configuration exhibit the strongest binding with the surface (3.35 eV), followed by partially dissociated species OH+H (2.23 eV), with all molecular H_2O configurations showing weak physisorption (0.366 eV). For molecular adsorptions, the flat lying orientation of the water molecule if found to be more favorable for majority of the cases. In the case of partial dissociation (OH+H), the vertical orientation of OH molecule with O facing the surface adsorbed at a h3 adsorption site and the H atom ...

International Nuclear Information System (INIS)

Ab initio total energy calculations within the framework of density functional theory have been performed for atomic hydrogen and oxygen chemisorption on the (0001) surface of double hexagonal packed (dhcp) americium using a full-potential all-electron linearized augmented plane wave plus local orbitals method. Chemisorption energies were optimized with respect to the distance of the adatom from the relaxed surface for three adsorption sites, namely top, bridge, and hollow hcp sites, the ad-layer structure corresponding to the coverage of a 0.25 monolayer in all cases. Chemisorption energies were computed at the scalar-relativistic level (no spin-orbit coupling NSOC) and at the fully relativistic level (with spin-orbit coupling SOC). The two-fold bridge adsorption site was found to be the most stable site for O at both the NSOC and SOC theoretical levels with chemisorption energies of 8.204 eV and 8.368 eV respectively, while the three-fold ...

International Nuclear Information System (INIS)

A new three-dimensional treatment planning system (TPS) based on convolution/superposition algorithms (TMS-Radix from HELAX AB, Uppsala, Sweden) was recently installed at the University Hospital in Lund. The purpose of the present study was to design a quality assurance and acceptance testing programme to meet the specific characteristics of this convolution model. The model is based on parametrization of a non-measurable quantity - the polyenergetic pencil beam. However, the verification of the treatment planning model is still dependent on numerous comparisons of measured depth-doses and dose profiles. The test programme was divided in two basic parts: (i) model implementation and beam data consistency and (ii) model performance and limitations in special situations. The first part was scheduled for all photon beam qualities available before they could be used for clinical treatment planning. The second part was performed for selected ...

Energy Technology Data Exchange (ETDEWEB)

In the framework of the search for a ceramic material usable in the radioactive waste storage, uranium and thorium phosphates have been investigated. Their experimental synthesis conditions have been entirely reviewed, they lead to the preparation of four new compounds: U(UO{sub 2})(PO{sub 4}){sub 2}, U{sub 2}O(PO{sub 4}){sub 2}, UCIPO{sub 4}, 4H{sub 2}O, and Th{sub 4}(PO{sub 4}){sub 4}P{sub 2}O{sub 7}. Experimental evidenced are advanced for non existent compounds such as: U{sub 3}(PO{sub 4}){sub 4}, U{sub 2}O{sub 3}P{sub 2}O{sub 7} and Th{sub 3} (PO{sub 4}){sub 4}. Characterization by several techniques (X-rays and neutron powder diffractions, UV-Visible and Infra-red spectroscopies, XPS,...) were performed. The ab initio structure determination of U(UO{sub 2})(PO{sub 4}){sub 2} has been achieved by X-rays and refined by neutron diffractions. Through its physico-chemical analysis, we found that this compound was a new mixed valence uranium ...

CERN Document Server

Randomized Algorithms for Analysis and Control of Uncertain Systems

CERN Document Server

Nature-inspired algorithms such as Particle Swarm Optimization and Firefly Algorithm are among the most powerful algorithms for optimization. In this paper, we intend to formulate a new metaheuristic algorithm by combining Levy flights with the search strategy via the Firefly Algorithm. Numerical studies and results suggest that the proposed Levy-flight firefly algorithm is superior to existing metaheuristic algorithms. Finally implications for further research and wider applications will be discussed.

International Nuclear Information System (INIS)

Complete text of publication follows. We have published on the spectroscopic study on the formation of a 1:1 molecular complex of fluoranthene (F) with benzene (B) in cyclohexane and estimated the equilibrium constant K(F-B) (0.147 dm3 mol-1 at 298 K), enthalpy change DH(F-B) (-5.9 kJ mol-1) and entropy change DS(F-B) (-36 JK-1mol-1 at 298 K) for this complex formation (S. Enomoto et al., Bull. Chem. Soc. Jpn., 75 (2002) 689-693). In this study, the electronic absorption spectra have been observed for the fluoranthene derivatives in cyclohexane-benzene and/or cyclohexane-ethanol mixed solvents to investigate the weak intermolecular interactions between fluoranthene derivatives and benzene or ethanol. The electronic absorption spectra of 3-aminofluoranthene (AF) in the mixed solvent mentioned above showed isosbestic points with varying B and ethanol (E) concentrations. These observations indicate that AF forms a 1:1 molecular complex with B or E, the K(AF-B) and K(AF-E) values for these ...

British Library Electronic Table of Contents (United Kingdom)

In this study acrylonitrile-butadiene-styrene (ABS) terpolymer was reinforced with HNO3-treated short carbon fibers (HCFs). The effects of HCF concentration on the tensile properties of the composites were examined. Increasing the HCF concentration in the ABS matrix from 10 wt% to 30 wt% resulted in improved tensile strength and tensile modulus. To obtain a strong interaction at the interface, polyamide-6 (PA6) at varying concentrations was introduced into the ABS/10 wt% HCF composite. The incorporation and increasing amount of PA6 in the composites increased tensile properties of the ABS/PA6/HCF systems due to the improved adhesion at the interface, which was confirmed by the ratio of tensile strength as an adhesion parameter. These results were also supported by scanning electron microgr...

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The required introduction of on board diagnosis II in the USA from the 94 models onward has led vehicle manufacturers and system suppliers to develop corresponding diagnosis processes at the beginning of the 1990`s. These systems are now in mass production for TLEV and partly for LEV requirements. Based on experience from the wide use of these functions, new knowledge has been obtained, which must be taken into account in the development of future systems. The additionally more severe emission and diagnosis requirements make further minimisation of the overall tolerances on the one hand, and a revision of the existing diagnosis algorithms necessary. In parallel with this, the Law must create the necessary outline conditions, where the requirements for the vehicle manufacturer and system suppliers must also be met. The OBD II development must therefore certainly not be regarded as complete. [Deutsch] Die in den USA ab Modelljahr `94 geforderte ...

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A proof is given for a simple algorithm for the computation of fusion rules in Wess-Zumino-Witten (WZW) models. (orig.).

International Nuclear Information System (INIS)

English 2004 [2 p.] Brazil Soares, SF Dire, Glaucio Abreu, Paulo Jesus,

UK PubMed Central (United Kingdom)

OBJECTIVE--To develop, test, and validate an algorithm for diagnosing disease in neonates during an over the telephone referral to a specialist cardiac centre. DESIGN--A draft algorithm requiring only...Full Text Available

UK PubMed Central (United Kingdom)

The multidrug efflux transporter AcrAB-TolC is known to pump out a diverse range of antibiotics, including β-lactams. However, the kinetic constants of the efflux process, needed for the quantitative...Full Text Available

Science.gov (United States)

... FL, April 18-20, 2006 Using Advanced Computer Vision Algorithms on Small Mobile Robots G. Koguta,F. Birchmoreb,E ...

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Ammonia borane (AB) and sodium borohydride (SBH) are candidate materials for on-board hydrogen storage that can be dehydrogenated upon demand. The rheological properties of the dehydrogenated by-products are important to quantify their removal and transportability from the hydrogen storage system. This paper presents visco-elastic property (elastic stiffness and viscous damping) measurements of the spent fuels obtained from AB hydrolysis, hydrothermolysis and thermolysis; and SBH hydrolysis. Smaller stiffness and larger mobility (or smaller viscous damping) indicate better transportability of the spent fuel. In addition, flow property (dynamic angle of repose and avalanching time) measurements for the hydrolysis spent fuels of AB and SBH are also presented. Comparing with the SBH hydrolysis spent fuel, the AB hydrolysis spent fuel had a lower stiffness and larger mobility, as well as lower angles of ...

International Nuclear Information System (INIS)

... p. SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS algorithms

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The implementation of a reverse time migration algorithm on the Connection Machine, a massively

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CERN Document Server

Design and Analysis of Vaccine Studies

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CERN Document Server

We present faster approximation algorithms for generalized network flow problems. A generalized flow is one in which the flow out of an edge differs from the flow into the edge by a constant factor. We limit ourselves to the lossy case, when these factors are at most 1. Our algorithm uses a standard interior-point algorithm to solve a linear program formulation of the network flow problem. The system of linear equations that arises at each step of the interior-point algorithm takes the form of a symmetric M-matrix. We present an algorithm for solving such systems in nearly linear time. The algorithm relies on the Spielman-Teng nearly linear time algorithm for solving linear systems in diagonally-dominant matrices. For a graph with m edges, our algorithm obtains an additive epsilon approximation of the maximum generalized ...

British Library Electronic Table of Contents (United Kingdom)

Aberrant amyloid-b peptide (Ab) accumulation along with altered expression and function of nicotinic acetylcholine receptors (nAChRs) stand prominently in the etiology of Alzheimer's disease (AD). Since the discovery that Ab is bound to a7 nAChRs under many experimental settings, including post-mortem AD brain, much effort has been expended to understand the implications of this interaction in the disease milieu. This research update will review the current literature on the a7 nAChR-Ab interaction in vitro and in vivo, the functional consequences of this interaction from sub-cellular to cognitive levels, and discuss the implications these relationships might have for AD therapies.

British Library Electronic Table of Contents (United Kingdom)

Abstract Hepatitis B (HBV) and C (HCV) viruses are the most important infections transmitted by the parenteral route in patients receiving maintenance dialysis. The prevalence varies markedly from country to country. The aim of this study is to review the efficacy of the strategies to reduce the incidence of these infections and the trend of results in Iran. As a routine, all hemodialysis patients in Iran have biannual blood samples for assessment of serum HBSAg, HBS Abs, and HCV Abs. The data are collected in the Ministry of Health. For statistical analysis, prevalence, and incidence were calculated. There is an increasing prevalence/incidence of end-stage renal disease (ESRD) in Iran, from 238/49.9 pmp in 2000 to 357/63.8 pmp in 2006. The prevalence of positive HBSAg and HCV Abs decrease...

CERN Document Server

An algorithm for pose and motion estimation using corresponding features in images and a digital terrain map is proposed. Using a Digital Terrain (or Digital Elevation) Map (DTM/DEM) as a global reference enables recovering the absolute position and orientation of the camera. In order to do this, the DTM is used to formulate a constraint between corresponding features in two consecutive frames. The utilization of data is shown to improve the robustness and accuracy of the inertial navigation algorithm. Extended Kalman filter was used to combine results of inertial navigation algorithm and proposed vision-based navigation algorithm. The feasibility of this algorithms is established through numerical simulations.

UK PubMed Central (United Kingdom)

Pathogenic strains of Vibrio cholerae are lysogens of the filamentous phage CTXφ, which carries the genes for cholera toxin (ctxAB). We found that the titers...Full Text Available

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To study the effects of atmospheric species on the fatigue crack growth behavior of an a+B titanium

UK PubMed Central (United Kingdom)

Despite the demonstrated clinical efficacy of CD20 monoclonal antibody (mAb) for lymphoma therapy, the in vivo mechanisms of tumor depletion remain controversial and variable. To identify the molecular...Full Text Available

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Air conditioning of urban electric cars by Peltier effect is simulated. Advantages (noise, simplicity of construction and of regulation, good heating performances...) and disadvantages (cooling performances lower than actual compressors, actual costs...) are presented. (A.B.). 8 refs., 5 figs.

UK PubMed Central (United Kingdom)

A DNA fragment located on the 3' side of the Coxiella burnetii htpAB operon was determined by Southern blotting to exist in approximately 19 copies in the Nine Mile I genome. The DNA sequences of this...Full Text Available

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A {lambda}gt11 cDNA library was constructed from poly(U)-Spharose-selected Entamoeba histolytica trophozoite RNA in order to clone and identify surface antigens. The library was screened with rabbit polyclonal anti-E. histolytica serum. A 700-base-pair cDNA insert was isolated and the nucleotide sequence was determined. The deduced amino acid sequence of the cDNA revealed a cysteine-rich protein. DNA hybridizations showed that the gene was specific to E. histolytica since the cDNA probe reacted with DNA from four axenic strains of E. histolytica but did not react with DNA from Entamoeba invadens, Acanthamoeba castellanii, or Trichomonas vaginalis. The insert was subcloned into the expression vector pGEX-1 and the protein was expressed as a fusion with the C terminus of glutathione S-transferase. Purified fusion protein was used to generate 22 monoclonal antibodies (mAbs) and a mouse polyclonal antiserum specific for the E. histolytica portion of the fusion protein. ...

International Nuclear Information System (INIS)

The helicase action of the Escherichia coli UvrAB complex on a covalently closed circular DNA template was monitored using bacterial DNA topoisomerase I, which specifically removes negative supercoils. In the presence of E. coli DNA topoisomerase I and ATP, the UvrAB complex gradually introduced positive supercoils into the input relaxed plasmid DNA template. Positive supercoils were not produced when E. coli DNA topoisomerase I was replaced by eukaryotic DNA topoisomerase I or when both E. coli and eukaryotic DNA topoisomerases I were added simultaneously. These results suggest that like other DNA helix-tracking processes, the ATP-dependent action of the UvrAM complex on duplex DNA simultaneously generates both positive and negative supercoils, which are not constrained by protein binding but are torsionally strained. The supercoiling activity of UvrAB on UV-damaged DNA was also studied using UV-damaged plasmid DNA and a ...

CERN Document Server

Shaping has proven to be a powerful but precarious means of improving reinforcement learning performance. Ng, Harada, and Russell (1999) proposed the potential-based shaping algorithm for adding shaping rewards in a way that guarantees the learner will learn optimal behavior. In this note, we prove certain similarities between this shaping algorithm and the initialization step required for several reinforcement learning algorithms. More specifically, we prove that a reinforcement learner with initial Q-values based on the shaping algorithm's potential function make the same updates throughout learning as a learner receiving potential-based shaping rewards. We further prove that under a broad category of policies, the behavior of these two learners are indistinguishable. The comparison provides intuition on the theoretical properties of the shaping algorithm as well as a suggestion ...

CERN Document Server

We propose a decoding algorithm for the $(u\\mid u+v)$-construction that decodes up to half of the minimum distance of the linear code. We extend this algorithm for a class of matrix-product codes in two different ways. In some cases, one can decode beyond the error correction capability of the code.

CERN Document Server

The airborne traffic monitoring system forms a novel technology of detecting vehicle motion. An optical digital camera located on an airborne platform produces a series of images which then are processed to recognized the fixed vehicles. In this way the video data are converted into the time sequence of frames containing the vehicle coordinates. In the present work a three-frame algorithm is developed to identify the succeeding vehicle positions. It is based on finding the neighboring points in the frame sequence characterized by minimal acceleration. To verify and optimize the developed algorithm a ``Virtual Road'' simulator was created. Finally available empirical data are analyzed using the created algorithm.

Science.gov (United States)

... Missionaries and Cannibals, etc.) Since the shooting example is intended to be an example of general autonomous reasoning, we will avoid such ...

British Library Electronic Table of Contents (United Kingdom)

The algorithmic, or consistent, tangent stiffness was introduced to improve the asymptotic convergence rate of the iterative correction algorithm for the evolutive analysis of elastoplastic structures. The original approach is based on a formulation of the elastoplastic law in terms of a plastic multiplier with an analysis which, in general, requires an operator inversion. A geometric description of the method, based on hypersurface theory, is proposed here to provide a clear picture of the algorithmic properties. An estimate of the tangent stiffness associated with finite step elastoplastic and elastoviscoplastic constitutive models is given. It is based on the properties of the projection operator on the elastic domain and avoids operator inversions retaining the beneficial properties of...

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In this paper, a new design methodology for determining the size, location, type and number of capacitors to be placed on a radial distribution system is presented. The objective is to minimize the peak power losses and the energy losses in the distribution system considering the capacitor cost. A sensitivity analysis based method is used to select the candidate locations for the capacitors. A new optimization method using a Genetic Algorithm is proposed to determine the optimal selection of capacitors. Test results have been presented along with the discussion of the algorithm.

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The classical stochastic approximation methods are shown to yield algorithms to solve several formulations of the PAC learning problem defined on the domain [o,1]{sup d}. Under some assumptions on different ability of the probability measure functions, simple algorithms to solve some PAC learning problems are proposed based on networks of non-polynomial units (e.g. artificial neural networks). Conditions on the sizes of these samples required to ensure the error bounds are derived using martingale inequalities.

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In a recent paper, Lowry (1981) described an architecture for a computer vision rectangular processor array that is suitable for VLSI implementation. In this paper the authors review that architecture, discuss extensions to it and present results of an array simulator applied to vision algorithms. They also present an algorithm for re-routing an array with bad processors into a working subset of the array, making it feasible to implement a large array on one wafer-sized chip. 7 references.

British Library Electronic Table of Contents (United Kingdom)

This article presents an unsupervised algorithm for semantic annotation of morphological descriptions of whole organisms. The algorithm is able to annotate plain text descriptions with high accuracy at the clause level by exploiting the corpus itself. In other words, the algorithm does not need lexicons, syntactic parsers, training examples, or annotation templates. The evaluation on two real-life description collections in botany and paleontology shows that the algorithm has the following desirable features: (a) reduces/eliminates manual labor required to compile dictionaries and prepare source documents; (b) improves annotation coverage: the algorithm annotates what appears in documents and is not limited by predefined and often incomplete templates; (c) learns clean and reusable concept...

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Two classes of convergent algorithms for learning continuous functions (and also regression functions) that are represented by feedforward networks, are discussed. The first class of algorithms, applicable to networks with unknown weights located only in the output layer, is obtained by utilizing the potential function methods of Aizerman et al. The second class, applicable to general feedforward networks, is obtained by utilizing the classical Robbins-Monro style stochastic approximation methods. Conditions relating the sample sizes to the error bounds are derived for both classes of algorithms using martingale-type inequalities. For concreteness, the discussion is presented in terms of neural networks, but the results are applicable to general feedforward networks, in particular to wavelet networks. The algorithms can be directly adapted to concept learning problems.

International Nuclear Information System (INIS)

With accurate calculation algorithms in inverse planning for beamlet-based intensity modulated radiotherapy (IMRT), it takes time to calculate the dose matrix, which represents the dose distribution of each beamlet element to each voxel for unit fluence. To reduce the calculation time, coarse or approximate algorithms are often a choice, but this results in a final dose distribution that cannot reflect the real value. In addition, it is necessary to test if a coarse algorithm is capable of calculating the dose matrix of beamlets. In this work, simulated dynamics optimization algorithm was applied to optimize the segment weight to minish the dose error from the dose matrix calculation. After calculating the dose matrix by ray-tracing algorithm which takes into account just the primary component of absorbed dose, the original beam profile intensity distribution was optimized by using ...

International Nuclear Information System (INIS)

In this paper, molecular quantum computation is numerically studied with the quantum search algorithm (Grover's algorithm) by means of optimal control simulation. Qubits are implemented in the vibronic states of I_2, while gate operations are realized by optimally designed laser pulses. The methodological aspects of the simulation are discussed in detail. We show that the algorithm for solving a gate pulse-design problem has the same mathematical form as a state-to-state control problem in the density matrix formalism, which provides monotonically convergent algorithms as an alternative to the Krotov method. The sequential irradiation of separately designed gate pulses leads to the population distribution predicted by Grover's algorithm. The computational accuracy is reduced by the imperfect quality of the pulse design and by the electronic decoherence processes that are modeled by ...

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In this study, SnO{sub 2} thin films have been grown using spray pyrolysis technique on glass substrates under a substrate temperature (T{sub s} = 440 {sup o}C). The precursors were methanol CH{sub 4}O and anhydrous tin tetrachloride. XRD analyses yielded strong (1 1 0)-(1 0 1)-(2 0 0) X-ray diffraction peaks which are characteristics to tetragonal crystals. Atomic Force Microscopy (AFM) analyses showed the existence of clusters with particular pyramidal shapes. The main part of this study concerns the optical measurements of transmittance T({lambda}) and reflectance R({lambda}) spectra inside 250-1800 nm domain. Conjoint optical and thermal properties were deduced using the Amlouk-Boubaker Opto-Thermal Expansivity {psi}{sub AB}. The obtained value: {psi}{sub AB} {approx} 23.4 m{sup 3} s{sup -1} helped situating the performance of the as-grown SnO{sub 2} compound among most known PV-T oxides like ZnO and TiO{sub 2}.

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The diagnosis of dialysis-related amyloid (AB-amyloid) has been based usually on clinical and radiological criteria. Following the discovery that beta 2-microglobulin was the major protein of this amyloid, we isolated and radiolabelled uremic plasma beta 2-microglobulin. After intravenous injection, gamma-camera images of selected joint areas were obtained from 42 patients who were on regular hemodialysis therapy. Positive scans involving the shoulder, hip, knee and carpal regions were found in 13 of 14 patients treated for more than 10 years and 10 of 16 patients treated for 5 to 10 years. Patients treated for less time had negative scans. Specificity was indicated by negative scans in non-amyloid inflammatory lesions in control hemodialysis patients. Up to 48-fold tracer enrichment was detected in excised AB-amyloid containing tissue as compared to amyloid-free tissue. These findings suggest that circulating radiolabelled beta 2-microglobulin ...

British Library Electronic Table of Contents (United Kingdom)

Summary The objective of this study was to examine the role of root carbohydrate levels and metabolism in the waterlogging tolerance of contrasting mung bean genotypes. An experiment was conducted with two cultivated mung bean (Vigna radiata) genotypes viz., T44 (tolerant) and Pusa Baisakhi (PB) (susceptible), and a wild Vigna species Vigna luteola under pot-culture to study the physiological and molecular mechanism of waterlogging tolerance. Waterlogging resulted in decrease in relative water content (RWC), membrane stability index (MSI) in root and leaf tissues, and chlorophyll (Chl) content in leaves, while the Chl a/b ratio increased. Waterlogging-induced decline in RWC, MSI, Chl and increase in Chl a/b ratio was greater in PB than V. luteola and T44. Waterlogging caused decline in tot...

British Library Electronic Table of Contents (United Kingdom)

Ethnopharmacological relevance: Tong Luo Jiu Nao (TLJN) is a modern Chinese formula based on Traditional Chinese Medicine theory that has been used to treat ischemic cerebral stroke and vascular dementia. TLJN belongs to the ethnopharmacological family of medicines. In this study, we investigated the mechanism of the TLJN effect on Alzheimer's disease (AD). Aim of the study: To investigate the effect of TLJN on b-amyloid-degrading enzymes and learning and memory in the AD rat brain. Materials and methods: AD rats whose disease was induced by Ab25-35 injection into the bilateral hippocampus CA1 region were subjected to intragastric administration of various preparations. The experimental animals were healthy male Sprague-Dawley rats which were randomly divided into normal, sham, model, TLJN...

International Nuclear Information System (INIS)

A new leaf-sequencing approach has been developed that is designed to reduce the number of required beam segments for step-and-shoot intensity modulated radiation therapy (IMRT). This approach to leaf sequencing is called continuous-intensity-map-optimization (CIMO). Using a simulated annealing algorithm, CIMO seeks to minimize differences between the optimized and sequenced intensity maps. Two distinguishing features of the CIMO algorithm are (1) CIMO does not require that each optimized intensity map be clustered into discrete levels and (2) CIMO is not rule-based but rather simultaneously optimizes both the aperture shapes and weights. To test the CIMO algorithm, ten IMRT patient cases were selected (four head-and-neck, two pancreas, two prostate, one brain, and one pelvis). For each case, the optimized intensity maps were extracted from the Pinnacle"3 treatment planning system. The CIMO algorithm ...

CERN Document Server

It is well known that for ergodic channel processes the Generalized Max-Weight Matching (GMWM) scheduling policy stabilizes the network for any supportable arrival rate vector within the network capacity region. This policy, however, often requires the solution of an NP-hard optimization problem. This has motivated many researchers to develop sub-optimal algorithms that approximate the GMWM policy in selecting schedule vectors. One implicit assumption commonly shared in this context is that during the algorithm runtime, the channel states remain effectively unchanged. This assumption may not hold as the time needed to select near-optimal schedule vectors usually increases quickly with the network size. In this paper, we incorporate channel variations and the time-efficiency of sub-optimal algorithms into the scheduler design, to dynamically tune the algorithm runtime considering the tradeoff between ...

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Considering the hardware characteristics of the laser-induced plasma X-ray source and the limitations of the conventional cone-beam reconstruction algorithm, a general cone-beam reconstruction algorithm has been developed at our laboratory, in which the motion locus of the X-ray source is an arbitrary curve corresponding to at least a 2{pi} continuous horizontal angular displacement in the coordinate system of the specimen. The preliminary simulation shows that the general cone-beam reconstruction algorithm consistently results in visually satisfactory images.

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A pre-stack migration algorithm for elastic waves in two-dimensional variable-velocity media is developed, implemented, and tested. The algorithm operates in the time-space domain and is based on reverse-time finite-difference extrapolation of elastic waves. The algorithm is explained and demonstrated in the context of imaging of elastic vertical seismic profile data, but is applicable to any source-recorder geometry. Synthetic test examples include a point diffractor, laterally homogeneous layers, and the flank of a salt dome.

International Nuclear Information System (INIS)

This paper describes detection of electro-discharged machine (EDM) defects in magnetic steam generator (SG) tubes of Monju fast breeder reactor (FBR). The EDM defects are located under support plate (SP), on the outer tube surface and they are detected by a remote field eddy current probe. Using the experimental measurements and a multi frequency algorithm, the defect signal can be extracted from the SP signal. The parameters of the multi-frequency algorithm were calculated by comparing SP measurements with two-dimensional finite element simulations (FEM). (author)

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The mutual inductance between parallel transmission lines influences the locating of the transmission line faults. A fault location algorithm for parallel lines developed in this paper takes into account the magnetic coupling between parallel lines. The paper presents a detailed description of the developed algorithm and test results performed on a simplified real transmission line. The obtained error is less than 0.5 percent in most cases. Also, the developed algorithm is not sensitive to typical fault parameters, such as: resistance, type, location, and incidence angle. 7 refs, 4 figs, 12 tabs

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A fast production scheduling algorithm suitable for generation expansion studies is described in this paper. It can handle several independent rivers, thermal plants, pumped storage plants, import, export, and internal non-firm markets. Inflows and load are deterministic and a one-reservoir limit is imposed on each river. The scheduling problem is formulated as a generalized network problem which is efficiently solved by an adaption of the simplex method. The algorithm is part of a program developed by Hydro-Quebec to conduct preliminary evaluations of alternative expansion plans. The program and the scheduling algorithm are presented.

International Nuclear Information System (INIS)

In this work, the principal continuum radiative emission processes, which occur during the penetration of ions in solids or gases, are resumed. The characteristics of the following processes are discussed: secondary electron bremsstrahlung (SEB), atomic bremsstrahlung (AB), and internuclear bremsstrahlung (INB). Recent advances of the ion channeling effects in crystal solids on the spontaneous radiative spectra are exposed. (A.C.A.S.).

British Library Electronic Table of Contents (United Kingdom)

With collaboration between chemistry, X-ray crystallography, and molecular modeling, we designed and synthesized a series of novel piperazine sulfonamide BACE1 inhibitors. Iterative exploration of the non-prime side and S2prime sub-pocket of the enzyme culminated in identification of an analog that potently lowers peripheral Ab40 in transgenic mice with a single subcutaneous dose.

UK PubMed Central (United Kingdom)

Monoclonal antibodies (mAb) to ovine T-lymphocyte molecules SBU-T8 (Maddox, Mackay & Brandon, 1985), the cytotoxic T lymphocyte, human CD8 equivalent, and SBU-T6 (Mackay et al., 1985), the immature...Full Text Available

UK PubMed Central (United Kingdom)

Using an anti-receptor mAb that blocks the attachment of echovirus 7 and related viruses (echoviruses 13, 21, 29 and 33), we have isolated a complementary DNA clone that encodes the human decay-accelerating...Full Text Available

Science.gov (United States)

Mar 1, 2011... Science Research; Atmospheric Correction Prototype Algorithm for High ... spaceborne (Hyperion) and airborne (AVIRIS) hyperspectral data. ...

British Library Electronic Table of Contents (United Kingdom)

Abstract Questions: How important is the choice of flow routing algorithm with respect to application of topographic wetness index (TWI) in vegetation ecology? Which flow routing algorithms are preferable for application in vegetation ecology? Location: Forests in three different regions of the Czech Republic. Methods: We used vegetation data from 521 georeferenced plots, recently sampled in a wide range of forest communities. From a digital elevation model, we calculated 11 variations of TWI for each plot with 11 different flow routing algorithms. We evaluated the performance of differently calculated TWI by (1) Spearman rank correlation with average Ellenberg indicator values for soil moisture, (2) Mantel correlation coefficient between dissimilarities of species composition and dissimil...

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The application of multi-objective genetic algorithms for green building design in two phases were presented in order to better help designers in the decision-making process. The purpose is to minimize two conflicting criteria: the life-cycle cost and the life-cycle environmental impact. Environmental impact criteria examined include energy and non-energy natural resources, global warming, and acidification. Variables focus on building envelope-related parameters. The application of multi-objective genetic algorithms is divided into two phases. The first phase intends to help designers in understanding the trade-off relationship between the two conflicting criteria. The second phase intends to refine the performance region that is of the designer's interest. The results after the two-phase application of the multi objective genetic algorithm were then presented. 13 refs., 4 tabs., 3 figs.

Science.gov (United States)

The potentials of the spherical sensor and nearby conductors are controlled by ... Incoming data are continuously monitored by algorithms in the software to ... launched together with FM5 (Rumba) by a Soyuz-Fregat rocket from Baikonur. ...

Science.gov (United States)

... 5.12 Terminal Value for Performance Measure P ... As examples, a stochastic communication network containing a buffer queue at each ...

Science.gov (United States)

An almost linear optimization problem of importance in vibration isolation has been identified and algorithms were developed to minimize the forced vibrational response of structural systems. The constraints can be either displacements of accelerations. T...

Science.gov (United States)

Nov 12, 2010 ... The adaptive, nonparametric matched filter algorithm suggested by Kay ... For the point design of a 4 sigma single event SNR the combined NR ...

Science.gov (United States)

THE GFS WILL BE THAT THE DEFAULT PRECIPITATION TYPE ALGORITHM WILL CHANGE FROM THE BALDWIN METHOD TO THE DOMINANT PRECIPITATION TYPE. THE DOMINANT PRECIPITATION TYPE IS...

Science.gov (United States)

... coordinates to allow for multisensor fusion, trajectory ... of an image processing toolkit (iPTK ... effectiveness of data-driven registration processing, spatial ...

UK PubMed Central (United Kingdom)

Privacy-preserving machine learning algorithms are crucial for the increasingly common setting in which personal data, such as medical or financial records, are analyzed. We provide general...Full Text Available

Science.gov (United States)

Feb 23, 2011 ... The potentials of the spherical sensor and nearby conductors are ... Incoming data are continuously monitored by algorithms in the software to ..... together with FM6 (Salsa) by a Soyuz-Fregat rocket from Baikonur. ...

International Nuclear Information System (INIS)

The purpose of this work was to study and quantify the differences in dose distributions computed with some of the newest dose calculation algorithms available in commercial planning systems. The study was done for clinical cases originally calculated with pencil beam convolution (PBC) where large density inhomogeneities were present. Three other dose algorithms were used: a pencil beam like algorithm, the anisotropic analytic algorithm (AAA), a convolution superposition algorithm, collapsed cone convolution (CCC), and a Monte Carlo program, voxel Monte Carlo (VMC++). The dose calculation algorithms were compared under static field irradiations at 6 MV and 15 MV using multileaf collimators and hard wedges where necessary. Five clinical cases were studied: three lung and two breast cases. We found that, in terms of accuracy, the CCC algorithm ...

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... on some results we obtained, using stochastic methods as ... choice between two customers in a queue and one ... with the terminal of edge I being the ...

British Library Electronic Table of Contents (United Kingdom)

Product-sum property states that an ordered pair (s"n,p"n) is unique for any ordered set a"1,a"2,...,a"n where a"i,n@?N, and s"n and p"n are the sum and product of the elements of the set, respectively. This fact has been exploited to develop an O(log(M)) time complexity algorithm for pattern searching in a large dataset, where M is the number of records in the dataset. Two potential applications (from databases and computational biology) of this property have been demonstrated to show the effectiveness and working of the proposed algorithm. The space complexity of the algorithm rises to the quadratic order.

CERN Document Server

In this paper, we propose a bid optimizer for sponsored keyword search auctions which leads to better retention of advertisers by yielding attractive utilities to the advertisers without decreasing the revenue to the search engine. The bid optimizer is positioned as a key value added tool the search engine provides to the advertisers. The proposed bid optimizer algorithm transforms the reported values of the advertisers for a keyword into a correlated bid profile using many ideas from cooperative game theory. The algorithm is based on a characteristic form game involving the search engine and the advertisers. Ideas from Nash bargaining theory are used in formulating the characteristic form game to provide for a fair share of surplus among the players involved. The algorithm then computes the nucleolus of the characteristic form game since we find that the nucleolus is an apt way of allocating the gains of cooperation among ...

International Nuclear Information System (INIS)

Background and purpose: The low density of lung tissue causes a reduced attenuation of photons and an increased range of secondary electrons, which is inaccurately predicted by the algorithms incorporated in some commonly available treatment planning systems (TPSs). This study evaluates the differences in dose in normal lung tissue computed using a simple and a more correct algorithm. We also studied the consequences of these differences on the dose-effect relations for radiation-induced lung injury. Materials and methods: The treatment plans of 68 lung cancer patients initially produced in a TPS using a calculation model that incorporates the equivalent-pathlength (EPL) inhomogeneity-correction algorithm, were recalculated in a TPS with the convolution-superposition (CS) algorithm. The higher accuracy of the CS algorithm is well-established. Dose distributions in lung were compared ...

International Nuclear Information System (INIS)

A new semi-empirical algorithm for the radial distribution of dose is compared with available data. The algorithm is used to calculate the inactivation cross section for dry enzymes and viruses using an extended target model of a 1-hit detector. Agreement with data is at about the 15% level, approximating the precision of the data itself. (author).

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Activities and results are reported of a project to investigate the application of remote sensing technology developed for the LACIE, AgRISTARS, Forestry and other NASA remote sensing projects for the environmental monitoring of strip mining, industrial pollution, and acid rain. Following a remote sensing workshop for EPA personnel, the EOD clustering algorithm CLASSY was selected for evaluation by EPA as a possible candidate technology. LANDSAT data acquired for a North Dakota test sight was clustered in order to compare CLASSY with other algorithms.

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A new algorithm for the treatment of sliding interfaces between solids with or without friction in an Eulerian wavecode is described. The algorithm has been implemented in the two-dimensional version of the CTH code. The code was used to simulate penetration and perforation of aluminum plates by rigid, conical-nosed tungsten projectiles. Comparison with experimental data is provided.

UK PubMed Central (United Kingdom)

The aim of this study is to compare the dosimetry results that are obtained by using Convolution, Superposition and Fast Superposition algorithms in Conventional Radiotherapy, Three-Dimensional Conformal...Full Text Available

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In this paper, we study data structures for use in N-body simulation. We concentrate on the spatial decomposition tree used in particle-cluster force evaluation algorithms such as the Barnes-Hut algorithm. We prove that a k-d tree is asymptotically inferior to a spatially balanced tree. We show that the worst case complexity of the force evaluation algorithm using a k-d tree is {Theta}(n log{sup 3} n log L) compared with {Theta}(n log L) for an oct-tree. (L is the separation ratio of the set of points.) We also investigate improving the constant factor of the algorithm, and present several methods which improve over the standard oct-tree decomposition. Finally, we consider whether or not the bounding box of a point set should be {open_quotes}tight{close_quotes}, and show that it is only safe to use tight bounding boxes for binary decompositions. The results are all directly applicable to practical ...

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Daylight responsive dimming systems have been used in few buildings to date because they require improvements to improve reliability. The key underlying factor contributing to poor performance is the variability of the ratio of the photosensor signal to daylight workplane illuminance in accordance with sun position, sky condition, and fenestration condition. Therefore, this paper describes the integrated systems between automated roller shade systems and daylight responsive dimming systems with an improved closed-loop proportional control algorithm, and the relative performance of the integrated systems and single systems. The concept of the improved closed-loop proportional control algorithm for the integrated systems is to predict the varying correlation of photosensor signal to daylight workplane illuminance according to roller shade height and sky conditions for improvement of the system accuracy. In this study, the performance of the ...

Energy Technology Data Exchange (ETDEWEB)

One of the main goals in the determination of three-dimensional macromolecular structures from electron microscope images of individual molecules and complexes (single particles) is a sufficiently high spatial resolution, about 4 A, at which the interpretation with an atomic model becomes possible. To reach high resolution, an iterative refinement procedure using an expectation maximization algorithm is often used that leads to a more accurate alignment of the positional and orientational parameters for each particle. We show here the results of refinement algorithms that use a phase residual, a linear correlation coefficient, or a weighted correlation coefficient to align individual particles. The algorithms were applied to computer-generated data sets that contained projections from model structures, as well as noise. The algorithms show different degrees of over-fitting, especially at high resolution ...

International Nuclear Information System (INIS)

IMRT optimization requires a fast yet relatively accurate algorithm to calculate the iteration dose with small memory demand. In this paper, we present a dose calculation algorithm that approaches these goals. By decomposing the infinitesimal pencil beam (IPB) kernel into the central axis (CAX) component and lateral spread function (LSF) and taking the beam's eye view (BEV), we established a non-voxel and non-beamlet-based dose calculation formula. Both LSF and CAX are determined by a commissioning procedure using the collapsed-cone convolution/superposition (CCCS) method as the standard dose engine. The proposed dose calculation involves a 2D convolution of a fluence map with LSF followed by ray tracing based on the CAX lookup table with radiological distance and divergence correction, resulting in complexity of O(N"3) both spatially and temporally. This simple algorithm is orders of magnitude faster than the CCCS method. ...

CERN Document Server

Bayesian optimization (BO) algorithms try to optimize an unknown function that is expensive to evaluate using minimum number of evaluations/experiments. Most of the proposed algorithms in BO are sequential, where only one experiment is selected at each iteration. This method can be time inefficient when each experiment takes a long time and more than one experiment can be ran concurrently. On the other hand, requesting a fix-sized batch of experiments at each iteration causes performance inefficiency in BO compared to the sequential policies. In this paper, we present an algorithm that asks a batch of experiments at each time step t where the batch size p_t is dynamically determined in each step. Our algorithm is based on the observation that the sequence of experiments selected by the sequential policy can sometimes be almost independent from each other. Our algorithm identifies ...

CERN Document Server

The disk around AB Aur was imaged and resolved at 24.6\\,$\\mu$m using the Cooled Mid-Infrared Camera and Spectrometer on the 8.2m Subaru Telescope. The gaussian full-width at half-maximum of the source size is estimated to be 90 $\\pm$ 6 AU, indicating that the disk extends further out at 24.6\\,$\\mu$m than at shorter wavelengths. In order to interpret the extended 24.6\\,$\\mu$m image, we consider a disk with a reduced surface density within a boundary radius $R_c$, which is motivated by radio observations that suggest a reduced inner region within about 100 AU from the star. Introducing the surface density reduction factor $f_c$ for the inner disk, we determine that the best match with the observed radial intensity profile at 24.6\\,$\\mu$m is achieved with $R_c$=88 AU and $f_c$=0.01. We suggest that the extended emission at 24.6\\,$\\mu$m is due to the enhanced emission from a wall-like structure at the boundary radius (the inner edge of the outer disk), which ...

CERN Document Server

Let A and B be two affinely generating sets of (Z_2)^n. As usual, we denote their Minkowski sum by A+B. How small can A+B be, given the cardinalities of A and B? We give a fairly tight answer to this question. Our bound is attained when both A and B are unions of cosets of a certain subgroup of (Z_2)^n. These cosets are arranged as Hamming balls, the smaller of which has radius 1. By similar methods, we reprove the Freiman-Ruzsa theorem in (Z_2)^n, with an optimal upper bound. Denote by F(K) the maximal spanning constant || / |A|, over all subsets A of (Z_2)^n with doubling constant |A+A| / |A| < K. We explicitly calculate F(K), and in particular show that 4^K / 4K < F(K) (1+o(1)) < 4^K / 2K. This improves the estimate F(K) = poly(K) 4^K, found recently by Green and Tao and by Konyagin.

British Library Electronic Table of Contents (United Kingdom)

Previous research utilizing the AcB/BcA recombinant congenic strains (RCS) of mice mapped provisional quantitative trait loci (QTLs) for the psychostimulant effects of nicotine to multiple regions on chromosomes 7, 11, 12, 14, 16, and 17. The current study was designed to confirm these QTLs in an A/J (A)??C57Bl/6J (B6) F2 cross and a panel of B6.A chromosome substitution strains (CSS). The panel of B6.A CSS consists of 21 strains, each carrying a different A/J chromosome on a B6 background. The A??B6 F2, CSS, A, and B6 mice were tested for sensitivity to the effects of nicotine on locomotor activity using a computerized open-field apparatus. In A??B6 F2 mice two QTLs were identified which confirm those previously observed in the AcB/BcA RCS. Significant differences in the expression of ...

International Nuclear Information System (INIS)

Loading pattern optimization (LPO) for a PWR in nuclear power plant contains three parts: fuel assembly location optimization, burnable poison placement optimization, and used fuel assembly orientation optimization. To solve the former two parts, this paper devises an innovative stochastic evolutionary algorithm-Interval Bound Algorithm (IBA), which can optimize fuel assembly location and burnable poison placement together. IBA just uses the fuel assembly's infinite multiplication factor to get rid of unfavorable patterns and to explore new promising solution space. To solve the last part, this paper applies Estimation of Distribution Algorithms (EDAs), which also belong to evolutionary algorithms. These three parts depend on each other, so it is better not to solve them separately. In order to optimize these parts in a coupled way, we use Symbiotic Co-evolutionary Algorithm (SCA) ...

Energy Technology Data Exchange (ETDEWEB)

Commercially-available nuclear fixturing systems typically include a square lattice of tapped and bushed holes with precision locating and clamping elements that can be rigidly attached to the lattice using dowel pins or expanding mandrels. Currently, human expertise is required to synthesize a suitable arrangements of these elements to hold a given part. Besides being time consuming, if the set of alternatives is not systematically explored, the designer may fail to find an acceptable fixture or may settle upon a suboptimal fixture. We consider a class of modular fixtures that prevent a part from translating or rotting in the plane using four point contacts on the part`s boundary. These fixtures are based on three round locators, each centered on a lattice point, and one translating clamp. We present an algorithm that accepts a polygonal part shape as input and synthesizes the set of all fixture designs that achieve form closure for the given part. The ...

Science.gov (United States)

ABS>A horizontal steam generator design for the SM-2 was lysis to determine the per formance of such a steam generator under steady state operating conditions and during load transients, The configuration for this design is a two- drum unit consisting of a heat exchanger unit and separator drum interconnected by integral riser and downcomer. An analog computer was used to analyze the steam generator behavior Wring load transients. The effect of various design changes on the response of the steam generator to step chages in load was determined. The horizontal steam generator design was compared to the existing vertical steam generator design for weight, size, price, and performance. (auth)

International Nuclear Information System (INIS)

Building on the concepts of MIRD methods described by Webber, Watson and others at this Symposium on the Dosimetry of Administered Radionuclides, we will now consider how to apply these principles to several experimentally based open-quote macroclose quotes and multicellular models. Specifically, methods to calculate absorbed dose using different types of particulate emission (alpha, beta) with a variety of antibody carriers (IgG, F(ab')_2, Fab) for radioimmunotherapy (RIT) will be reviewed. Additionally, a discussion of direct measurement methods at the multicellular level will reveal the problems of tumor absorbed dose heterogeneity when applied to animal and clinical studies.

Energy Technology Data Exchange (ETDEWEB)

Use of hydrogen absorbing alloys in various practical applications is always connected with the problem of production of starting alloys. The transition from laboratory samples to small-scale production involves the change of furnace and its operation mode and this has an effect on the preparation method of mixture of starting metal. Also, for some applications such as thermosorption compressors the exact values of thermodynamical parameters of reaction are needed. In the present work we present the results of investigation of series Laves phase hydrogen-absorbing alloys which can be promising in for use in different devices. 1 ref.

International Nuclear Information System (INIS)

An extensive set of benchmark measurement of PDDs and beam profiles was performed in a heterogeneous layer phantom, including a lung equivalent heterogeneity, by means of several detectors and compared against the predicted dose values by different calculation algorithms in two treatment planning systems. PDDs were measured with TLDs, plane parallel and cylindrical ionization chambers and beam profiles with films. Additionally, Monte Carlo simulations by meansof the PENELOPE code were performed. Four different field sizes (10x10, 5x5, 2x2, and1x1 cm"2) and two lung equivalent materials (CIRS, #rho#_e"w=0.195 and St. Bartholomew Hospital, London, #rho#_e"w=0.244-0.322) were studied. The performance of four correction-based algorithms and one based on convolution-superposition was analyzed. The correction-based algorithms were the Batho, the Modified Batho, and the Equivalent TAR implemented in the Cadplan (Varian) treatment ...

CERN Document Server

The auroras on Jupiter and Saturn can be studied with a high sensitivity and resolution by the Hubble Space Telescope (HST) ultraviolet (UV) and far-ultraviolet (FUV) Space Telescope spectrograph (STIS) and Advanced Camera for Surveys (ACS) instruments. We present results of automatic detection and segmentation of Jupiter's auroral emissions as observed by HST ACS instrument with VOronoi Image SEgmentation (VOISE). VOISE is a dynamic algorithm for partitioning the underlying pixel grid of an image into regions according to a prescribed homogeneity criterion. The algorithm consists of an iterative procedure that dynamically constructs a tessellation of the image plane based on a Voronoi Diagram, until the intensity of the underlying image within each region is classified as homogeneous. The computed tessellations allow the extraction of quantitative information about the auroral features such as mean intensity, latitudinal and longitudinal ...

Energy Technology Data Exchange (ETDEWEB)

A numerical optimization technique is used to obtain low-energy momentum transfer, j = 0 [yields] 2 rotational and v = 0 [yields] vibrational sections from measured electron swarm data for parahydrogen. The downhill simplex algorithm is used to find cross sections that represent the best numerical fit to the measured electron drift velocity and characteristic energy over a range of E/N. These results, which are in excellent agreement with published cross sections derived using traditional swarm analysis techniques, demonstrates the feasibility of using automated computational algorithms for swarm analysis involving the estimation of multiple cross sections. (Author).

CERN Document Server

A new particle swarm optimization (PSO) technique for electromagnetic applications is proposed. The method is based on quantum mechanics rather than the Newtonian rules assumed in all previous versions of PSO, which we refer to as classical PSO. A general procedure is suggested to derive many different versions of the quantum PSO algorithm (QPSO). The QPSO is applied first to linear array antenna synthesis, which is one of the standard problems used by antenna engineers. The performance of the QPSO is compared against an improved version of the classical PSO. The new algorithm outperforms the classical one most of the time in convergence speed and achieves better levels for the cost function. As another application, the algorithm is used to find a set of infinitesimal dipoles that produces the same near and far fields of a circular dielectric resonator antenna (DRA). In addition, the QPSO method is employed to find an ...

British Library Electronic Table of Contents (United Kingdom)

Terrain attributes derived from digital elevation models have been used widely for mapping soil organic matter (SOM). Among these attributes, the topographic wetness index (TWI), an index for quantitatively indicating the balance between water accumulation and drainage conditions at the local scale, has been shown to correlate with SOM. However, TWIs used in most studies are calculated using a single-flow-direction (SFD) algorithm, which assumes that all water from a grid cell flows into only one neighboring cell. This assumption is not always valid, especially in areas with low relief where movement of water may be divergent. To overcome this SFD limitation, a multiple-flow-direction (MFD) algorithm has been developed, which distributes flow from a grid cell to several downslope neighbors...

British Library Electronic Table of Contents (United Kingdom)

In this paper, we develop a batch fuzzy learning vector quantization algorithm that attempts to solve certain problems related to the implementation of fuzzy clustering in image compression. The algorithm's structure encompasses two basic components. First, a modified objective function of the fuzzy c-means method is reformulated and then is minimized by means of an iterative gradient-descent procedure. Second, the overall training procedure is equipped with a systematic strategy for the transition from fuzzy mode, where each training vector is assigned to more than one codebook vectors, to crisp mode, where each training vector is assigned to only one codebook vector. The algorithm is fast and easy to implement. Finally, the simulation results show that the method is efficient and appears...

CERN Document Server

The main topic of this thesis concerns efficient algorithms for the calculation of determinants of the kind of matrix typically encountered in lattice QCD. In particular an efficient method for calculating the fermion determinant is described. Such a calculation is useful to illustrate the effects of light dynamical (virtual) quarks. The methods employed in this thesis are stochastic methods, based on the Lanczos algorithm, which is used for the solution of large, sparse matrix problems via a partial tridiagonalisation of the matrix. Here an implementation is explored which requires less exhaustive treatment of the matrix than previous Lanczos methods. This technique exploits the analogy between the Lanczos tridiagonalisation algorithm and Gaussian quadrature in order to calculate the fermion determinant. A technique for determining a number of the eigenvalues of the matrix is also presented. A demonstration is then given ...

CERN Document Server

Microcalcifications in mammogram have been mainly targeted as a reliable earliest sign of breast cancer and their early detection is vital to improve its prognosis. Since their size is very small and may be easily overlooked by the examining radiologist, computer-based detection output can assist the radiologist to improve the diagnostic accuracy. In this paper, we have proposed an algorithm for detecting microcalcification in mammogram. The proposed microcalcification detection algorithm involves mammogram quality enhancement using multirresolution analysis based on the dyadic wavelet transform and microcalcification detection by fuzzy shell clustering. It may be possible to detect nodular components such as microcalcification accurately by introducing shape information. The effectiveness of the proposed algorithm for microcalcification detection is confirmed by experimental results.

Energy Technology Data Exchange (ETDEWEB)

Algorithms for the authentication of byte sequences are described. The algorithms are designed to authenticate data in the Storage, Retrieval, Analysis, and Display (SRAD) Test Data Archive of the Radiation Effects and Testing Directorate (9100) at Sandia National Laboratories, and may be used in similar situations where authentication of stored data is required. The algorithms use a well-known error detection method called the Cyclic Redundancy Check (CRC). When a byte sequence is authenticated and stored, CRC bytes are generated and attached to the end of the sequence. When the authenticated data is retrieved, the authentication check consists of processing the entire sequence, including the CRC bytes, and checking for a remainder of zero. The error detection properties of the CRC are extensive and result in a reliable authentication of SRAD data.

British Library Electronic Table of Contents (United Kingdom)

Looking at kriging problems with huge numbers of estimation points and measurements, computational power and storage capacities often pose heavy limitations to the maximum manageable problem size. In the past, a list of FFT-based algorithms for matrix operations have been developed. They allow extremely fast convolution, superposition and inversion of covariance matrices under certain conditions. If adequately used in kriging problems, these algorithms lead to drastic speedup and reductions in storage requirements without changing the kriging estimator. However, they require second-order stationary covariance functions, estimation on regular grids, and the measurements must also form a regular grid. In this study, we show how to alleviate these rather heavy and many times unrealistic restr...

British Library Electronic Table of Contents (United Kingdom)

An appropriate mathematical model can help researchers to simulate, evaluate, and control a proton exchange membrane fuel cell (PEMFC) stack system. Because a PEMFC is a nonlinear and strongly coupled system, many assumptions and approximations are considered during modeling. Therefore, some differences are found between model results and the real performance of PEMFCs. To increase the precision of the models so that they can describe better the actual performance, optimization of PEMFC model parameters is essential. In this paper, an artificial bee swarm optimization algorithm, called ABSO, is proposed for optimizing the parameters of a steady-state PEMFC stack model suitable for electrical engineering applications. For studying the usefulness of the proposed algorithm, ABSO-based results...

International Nuclear Information System (INIS)

The aim of this study was to evaluate the differences in accuracy of dose calculation between 3 commonly used algorithms, the Pencil Beam algorithm (PB), the Anisotropic Analytical Algorithm (AAA), and the Collapsed Cone Convolution Superposition (CCCS) for intensity-modulated radiation therapy (IMRT). The 2D dose distributions obtained with the 3 algorithms were compared on each CT slice pixel by pixel, using the MATLAB code (The MathWorks, Natick, MA) and the agreement was assessed with the ? function. The effect of the differences on dose-volume histograms (DVHs), tumor control, and normal tissue complication probability (TCP and NTCP) were also evaluated, and its significance was quantified by using a nonparametric test. In general PB generates regions of over-dosage both in the lung and in the tumor area. These differences are not always in DVH of the lung, although the Wilcoxon test indicated ...

Energy Technology Data Exchange (ETDEWEB)

Quantum computers hold great promises for the future of computation. In this paper, this new kind of computing device is presented, together with a short survey of the status of research in this field. The principal algorithms are introduced, with an emphasis on the applications of quantum computing to physics. Experimental implementations are also briefly discussed.

UK PubMed Central (United Kingdom)

PurposeAuto-propagation of anatomical region-of-interests (ROIs) from the planning CT to daily CT is an essential step in image-guided adaptive radiotherapy. The...Full Text Available

Science.gov (United States)

Feb 7, 2011 ... The potentials of the spherical sensor and nearby conductors are controlled ... Incoming data are continuously monitored by algorithms in the software ... together with FM8 (Tango) by a Soyuz-Fregat rocket from Baikonur. ...

UK PubMed Central (United Kingdom)

An optical flow gradient algorithm was applied to spontaneously forming networks of neurons and glia in culture imaged by fluorescence optical microscopy in order to map functional calcium signaling...Full Text Available

Science.gov (United States)

High precision, fast computation speed, as well as a good capability of fault tolerant and reconstruction are required more and more for spacecraft attitude determination system. To realize the above requirement, an approach was presented to the synthesis of federated filters using sigma point technique. In this algorithm, the sigma point technique brought the algorithm a high precision, while the federated structure significantly enhanced the filters' capability of multi-rate information fusion, fault tolerance, and system modularity. Within consideration of computation consumption, a simple information-sharing formulation was derived to adapt to the special property of sigma point distribution, and a dynamical information sharing strategy for multi-rate fusion was developed. A numerical simulation example was employed to give the algorithm a test, where the simulated system contained a suit of gyroscopes; a three-axis ...

CERN Document Server

Future High Energy Physics experiments will produce unprecedented data volumes (up to 1 GB/s [1]). In most cases it will be impossible to analyse these data in real time and they will have to be stored on durable mostly magnetic linear media (e.g. tapes) for later analysis. This threatens to become a major cost factor for the running of these experiments. Here we present some ideas developed together with the Institute of Computer Graphics, Department for Algorithms and Programming on how this volume and the related cost can be reduced significantly. The algorithms presented are not general ones but aimed in particular to physics experiments data. Taking advantage of the knowledge of the data they are highly superior to general ones (Huffman, LZW, arithmetic coding) both in compression rate but more importantly in speed as to keep up with the output rate to modern tape drives. Above standard algorithms are, however, used ...

CERN Document Server

Experimental results show that certain message passing algorithms, namely, Survey Propagation, are very effective in finding satisfying assignments for random satisfiable 3CNF formulas which are considered hard for other SAT heuristics. Unfortunately, rigorous understanding of this phenomena is still lacking. In this paper we make a modest step towards providing rigorous explanation for the effectiveness of message passing algorithms. We analyze the performance of Warning Propagation, a popular message passing algorithm that is simpler than Survey Propagation. We show that for 3CNF formulas drawn from a certain distribution over random satisfiable 3CNF formulas, commonly referred to as the planted-assignment distribution, running Warning Propagation in the standard way (run message passing until convergence, simplify the formula according to the resulting assignment, and satisfy the remaining subformula, if necessary, using ...

Science.gov (United States)

The Federal Highway Administration (FHWA) has put a high priority on the use of existing dynamic message signs (DMS) to provide travel time estimates to the public. The Oregon Department of Transportation (ODOT) has three DMS in the Portland metropolitan ...

International Nuclear Information System (INIS)

This paper introduces a robust searching hybrid evolutionary algorithm to solve the multi-objective Distribution Feeder Reconfiguration (DFR). The main objective of the DFR is to minimize the real power loss, deviation of the nodes' voltage, the number of switching operations, and balance the loads on the feeders. Because of the fact that the objectives are different and no commensurable, it is difficult to solve the problem by conventional approaches that may optimize a single objective. This paper presents a new approach based on norm3 for the DFR problem. In the proposed method, the objective functions are considered as a vector and the aim is to maximize the distance (norm2) between the objective function vector and the worst objective function vector while the constraints are met. Since the proposed DFR is a multi objective and non-differentiable optimization problem, a new hybrid evolutionary algorithm (EA) based on the combination of the ...

Energy Technology Data Exchange (ETDEWEB)

Some diagnostics at the National Ignition Facility (NIF), including the Gamma Reaction History (GRH) diagnostic, require multiple channels of data to achieve the required dynamic range. These channels need to be stitched together into a single time series, and they may have non-uniform and redundant time samples. We chose to apply the popular cubic smoothing spline technique to our stitching problem because we needed a general non-parametric method. We adapted one of the algorithms in the literature, by Hutchinson and deHoog, to our needs. The modified algorithm and the resulting code perform a cubic smoothing spline fit to multiple data channels with redundant time samples and missing data points. The data channels can have different, time-varying, zero-mean white noise characteristics. The method we employ automatically determines an optimal smoothing level by minimizing the Generalized Cross Validation (GCV) score. In order to automatically ...

UK PubMed Central (United Kingdom)

BackgroundIn current comparative proteomics studies, the large number of images generated by 2D gels is currently compared using spot matching algorithms. Unfortunately, differences...Full Text Available

UK PubMed Central (United Kingdom)

We proposed a faster pedigree-based generalized multifactor dimensionality reduction algorithm, called PedG-MDR II (PII), to detect gene-gene interactions underlying complex traits. Inherited...Full Text Available

CERN Document Server

The complete complementary code (CCC) is a sequence family with ideal correlation sums which was proposed by Suehiro and Hatori. Numerous literatures show its applications to direct-spread code-division multiple access (DS-CDMA) systems for inter-channel interference (ICI)-free communication with improved spectral efficiency. In this paper, we propose a systematic framework for the construction of CCCs based on $N$-shift cross-orthogonal sequence families ($N$-CO-SFs). We show theoretical bounds on the size of $N$-CO-SFs and CCCs, and give a set of four algorithms for their generation and extension. The algorithms are optimal in the sense that the size of resulted sequence families achieves theoretical bounds and, with the algorithms, we can construct an optimal CCC consisting of sequences whose lengths are not only almost arbitrary but even variable between sequence families. We also discuss the family size, alphabet size, ...

International Nuclear Information System (INIS)

The accuracy of dose computation within the lungs depends strongly on the performance of the calculation algorithm in regions of electronic disequilibrium that arise near tissue inhomogeneities with large density variations. There is a lack of data evaluating the performance of highly developed analytical dose calculation algorithms compared to Monte Carlo computations in a clinical setting. We compared full Monte Carlo calculations (performed by our Monte Carlo dose engine MCDE) with two different commercial convolution/superposition (CS) implementations (Pinnacle-CS and Helax-TMS's collapsed cone model Helax-CC) and one pencil beam algorithm (Helax-TMS's pencil beam model Helax-PB) for 10 intensity modulated radiation therapy (IMRT) lung cancer patients. Treatment plans were created for two photon beam qualities (6 and 18 MV). For each dose calculation algorithm, patient, and beam quality, the ...

Energy Technology Data Exchange (ETDEWEB)

Our work has focused on the development and analysis of domain decomposition algorithms for a variety of problems arising in continuum mechanics modeling. In particular, we have extended and analyzed FETI-DP and BDDC algorithms; these iterative solvers were first introduced and studied by Charbel Farhat and his collaborators, see [11, 45, 12], and by Clark Dohrmann of SANDIA, Albuquerque, see [43, 2, 1], respectively. These two closely related families of methods are of particular interest since they are used more extensively than other iterative substructuring methods to solve very large and difficult problems. Thus, the FETI algorithms are part of the SALINAS system developed by the SANDIA National Laboratories for very large scale computations, and as already noted, BDDC was first developed by a SANDIA scientist, Dr. Clark Dohrmann. The FETI algorithms are also making inroads in commercial ...

Energy Technology Data Exchange (ETDEWEB)

This report details an investigation into the efficacy of two approaches to solving the radiation diffusion equation within a radiation hydrodynamic simulation. Because leading-edge scientific computing platforms have evolved from large single-node vector processors to parallel aggregates containing tens to thousands of individual CPU's, the ability of an algorithm to maintain high compute efficiency when distributed over a large array of nodes is critically important. The viability of an algorithm thus hinges upon the tripartite question of numerical accuracy, total time to solution, and parallel efficiency.

Energy Technology Data Exchange (ETDEWEB)

The paper presents the integration of the SIMBAD space charge module in the UAL framework. SIMBAD is a Particle-in-Cell (PIC) code. Its 3-D Parallel approach features an optimized load balancing scheme based on a genetic algorithm. The UAL framework enhances the SIMBAD standalone version with the interactive ROOT-based analysis environment and an open catalog of accelerator algorithms. The composite package addresses complex high intensity beam dynamics and has been developed as part of the FAIR SIS 100 project.

Energy Technology Data Exchange (ETDEWEB)

This paper presents a new algorithm for the optimal long-range generation planning for a thermal system with pumped-storage plants. The algorithm is based upon the analytical production costing model developed under the assumption of Gaussian probabilistic distribution of random load fluctuations and plant outages. The optimization problem consists of the master problem to determine the annual investment, and the pumped-storage subproblem to determine the optimal pumped-storage operation. The master problem is formulated as a Hamiltonian minimization problem, and the pumped-storage subproblem is solved using the concept of peak-shaving operation on the original load curve.

CERN Document Server

In source coding, either with or without side information at the decoder, the ultimate performance can be achieved by means of random binning. Structured binning into cosets of performing channel codes has been successfully employed in practical applications. In this letter it is formally shown that various convolutional- and turbo-syndrome decoding algorithms proposed in literature lead in fact to the same estimate. An equivalent implementation is also delineated by directly tackling syndrome decoding as a maximum a posteriori probability problem and solving it by means of iterative message-passing. This solution takes advantage of the exact same structures and algorithms used by the conventional channel decoder for the code according to which the syndrome is formed.

Energy Technology Data Exchange (ETDEWEB)

Recent advances in steering algorithms have made it possible to accurately control electron beam position in storage rings, implement fast and slow feedback systems, and in some cases detect hardware errors. In practice, however, the program operator would like to reduce the overhead of selecting variables and constraints and to easily view the data. To simplify the process, we constructed an interactive orbit control program in MATLAB [1]. The program modules are easily adapted to new algorithms or beam lines. This paper describes the program functionality and architecture.

CERN Document Server

A new metaheuristic optimisation algorithm, called Cuckoo Search (CS), was developed recently by Yang and Deb (2009). This paper presents a more extensive comparison study using some standard test functions and newly designed stochastic test functions. We then apply the CS algorithm to solve engineering design optimisation problems, including the design of springs and welded beam structures. The optimal solutions obtained by CS are far better than the best solutions obtained by an efficient particle swarm optimiser. We will discuss the unique search features used in CS and the implications for further research.

Energy Technology Data Exchange (ETDEWEB)

The diamond norm measures the distance between two quantum channels. From an operational viewpoint, this norm measures how well we can distinguish between two channels by applying them to the input states of arbitrarily large dimensions. In this paper, we show that the diamond norm can be conveniently, and in a physically transparent way, computed by means of a Monte Carlo algorithm based on the Fano representation of quantum states and quantum operations. The effectiveness of this algorithm is illustrated for several single-qubit quantum channels.

Energy Technology Data Exchange (ETDEWEB)

The Michigan Electric Coordination Center (MEPCC), operated by Consumers Power and Detroit Edison Companies, has the responsibility for scheduling the Ludington pumped storage plant. Ludington has an extremely large economic effect on the Consumers Power and Detroit Edison Companies' system due to its size (over 1800 MW net demonstrated generating capability). This paper presents a dynamic programming algorithm for scheduling large pumped storage plants and shows how this method can be coordinated with the commitment of the thermal units of the system.

CERN Document Server

A discrete time control algorithm using the damped least squares is introduced for acceleration and energy exchange controls in nonlinear vibrating systems. It is shown that the damping constant of least squares and sampling time step of the controller must be inversely related to insure that vanishing the time step has little effect on the results. The algorithm is illustrated on two linearly coupled Duffing oscillators near the 1:1 internal resonance. In particular, it is shown that varying the dissipation ratio of one of the two oscillators can significantly suppress the nonlinear beat phenomenon.

International Nuclear Information System (INIS)

Network reconfiguration is an operation problem, which entails altering the topological structure of the distribution feeders by rearranging the status of switches in order to obtain an optimal configuration in order to minimise the system losses. This paper presents a new reconfiguration algorithm that enhances voltage stability and improves the voltage profile besides minimising losses without incurring any additional cost for installation of capacitors, tap changing transformers and related switching equipment in the distribution system. Test results on a 69 node distribution system reveal the superiority of this algorithm.

CERN Document Server

This paper describes an effective unsupervised speaker indexing approach. We suggest a two stage algorithm to speed-up the state-of-the-art algorithm based on the Bayesian Information Criterion (BIC). In the first stage of the merging process a computationally cheap method based on the vector quantization (VQ) is used. Then in the second stage a more computational expensive technique based on the BIC is applied. In the speaker indexing task a turning parameter or a threshold is used. We suggest an on-line procedure to define the value of a turning parameter without using development data. The results are evaluated using 10 hours of audio data.

International Nuclear Information System (INIS)

The Anisotropic Analytical Algorithm (AAA) is a new pencil beam convolution/superposition algorithm proposed by Varian for photon dose calculations. The configuration of AAA depends on linear accelerator design and specifications. The purpose of this study was to investigate the accuracy of AAA for an Elekta SL25 linear accelerator for small fields and intensity modulated radiation therapy (IMRT) treatments in inhomogeneous media. The accuracy of AAA was evaluated in two studies. First, AAA was compared both with Monte Carlo (MC) and the measurements in an inhomogeneous phantom simulating lung equivalent tissues and bone ribs. The algorithm was tested under lateral electronic disequilibrium conditions, using small fields (2x2 cm"2). Good agreement was generally achieved for depth dose and profiles, with deviations generally below 3% in lung inhomogeneities and below 5% at interfaces. However, the effects of attenuation and ...

Energy Technology Data Exchange (ETDEWEB)

This paper presents a real-time wavelet-Fuzzy combined approach for digital relaying. The algorithm for fault classification employs wavelet multi resolution analysis (MRA) to overcome the difficulties associated with conventional voltage and current based measurements due to effect of factors such as fault inception angle, fault impedance and fault distance. The proposed algorithm for fault location, different from conventional algorithms that are based on deterministic computations on a well-defined model to be protected, employs wavelet transform together with fuzzy logic. The wavelet transform captures the dynamic characteristics of the non-stationary transient fault signals using wavelet MRA coefficients. The fuzzy logic is employed to incorporate expert evaluation through fuzzy inference system (FIS) so as to extract important features from wavelet MRA coefficients for obtaining coherent conclusions regarding fault ...

Energy Technology Data Exchange (ETDEWEB)

The Kadomtsev-Petviashvili equation describes nonlinear dispersive waves which travel mainly in one direction, generalizing the Korteweg-de Vries equation for purely uni-directional waves. In this Letter we derive an improved KP-equation that has exact dispersion in the main propagation direction and that is accurate in second order of the wave height. Moreover, different from the KP-equation, this new equation is also valid for waves on deep water. These properties are inherited from the AB-equation (E. van Groesen, Andonowati, 2007 ) which is the unidirectional improvement of the KdV equation. The derivation of the equation uses the variational formulation of surface water waves, and inherits the basic Hamiltonian structure.

British Library Electronic Table of Contents (United Kingdom)

The T cell receptor is a fundamental mediator of the adaptive immune responses, since TR ab on T cells recognize foreign structures (peptides derived from processed antigens) bound to the major histocompatibility complex (MHC) on APC cells. In the present study, we report the cloning of six TRB chains cDNA sequences from gilthead sea bream (Sparus aurata), a fish of high economical impact in South Mediterranean aquaculture. The V-BETA domains have the canonical features of known teleost and mammalian TR V-BETA domains and have been divided in four different subgroups. A multiple alignment of the six sea bream TRB chains with other known TRB sequences was assembled and showed the conservation of the four cysteine residues involved in disulphide bonds and of some amino acids with an importan...

Energy Technology Data Exchange (ETDEWEB)

Site occupancies in three C15-structured AB{sub 2}(X) Laves phases have been determined by Atom Location by CHanneling Enhanced MIcroanalysis (ALCHEMI). In NbCr{sub 2}(V), the results were consistent with exclusive site occupancies of Nb for the A sublattice and Cr and V for the B sublattice. The B-site occupancy of V is not expected from atom size effects alone. In NbCr{sub 2}(Ti), the results were consistent with Ti partitioning mostly to the A sites with some anti-site defects likely. In HfV{sub 2}(Nb), the results were consistent with Nb partitioning between the A and B sites. The results of the ALCHEMI analyses of these ternary C15 Laves phase materials will be discussed with respect to previously determined phase diagrams and first-principles total energy and electronic structure calculations.

British Library Electronic Table of Contents (United Kingdom)

Olfactory memory dysfunctions were investigated in the triple-transgenic murine model of Alzheimer's disease (3x Tg-AD). In the social transmission of food preference test, 3x Tg-AD mice presented severe deficits in odor-based memory, without gross changes in general odor-ability. Ab and tau immunoreactivity was not observed in the primary processing regions for odor, the olfactory bulbs (OBs), whereas marked immunostaining was present in the piriform, entorhinal, and orbitofrontal cortex, as well as in the hippocampus. Our results suggest that the impairment in olfactory-based information processing might arise from degenerative mechanisms mostly affecting higher cortical regions and limbic areas, such as the hippocampus.

Energy Technology Data Exchange (ETDEWEB)

The magnetic properties of diluted spinels Zn{sub 1-x}M{sub x}Fe{sub 2}O{sub 4} (M = Mg, Ni) systems have been studied by mean field theory, probability law and high-temperature series expansions method in the range 0 {<=} x {<=} 1. The exchange interactions are calculated by the first and second theory, respectively. The magnetic phase diagrams of Zn{sub 1-x}M{sub x}Fe{sub 2}O{sub 4} (M = Mg, Ni) are calculated by the high-temperature series expansions, combined with the Pade approximants method. The critical exponent associated with the magnetic susceptibility ({gamma}) is deduced.

British Library Electronic Table of Contents (United Kingdom)

Background: Thyroid-stimulating autoantibodies (TSAb) bind to the thyrotropin receptor (TSHR) extracellular domain, or ectodomain (ECD), comprising a leucine-rich repeat domain (LRD) linked by a hinge region to the transmembrane domain (TMD). The LRD (residues 22???260; signal peptide 1???21) contains two disulfide-bonded loops at its N-terminus. In the crystal structure of the isolated LRD complexed with human TSAb monoclonal antibody (mAb) M22, N-terminal disulfide loop 1 (residues 22???30) could not be determined because of crystal disorder. Nevertheless, present crystal structure data are interpreted to exclude a role for the LRD N-terminal disulfide loops in the TSAb epitope(s), contradicting prior functional evidence of a role for these loops in TSAb function. Materials and Methods: ...

Energy Technology Data Exchange (ETDEWEB)

The emission of air pollutants from road vehicles is the most significant source of air pollution in towns. The chemical composition of these pollutive substances is dependent on the fuel, the type of vehicle and the character of the traffic system. The pollution concentration was measured, (nitrogen oxides and carbon monoxide) in relation to each type of vehicle, in four streets in the Copenhagen area. The system of measurement used was the ''Operational Street Pollution Model'' (OSPM). Results are presented in the form of tables and charts. (AB) 11 refs.

International Nuclear Information System (INIS)

Full text: A semiempirical algorithm for absorbed dose calculation at off-axis points in irregular beams was implemented. It is well known that semiempirical methods are very useful because of their easy implementation and its helpfulness in dose calculation in the clinic. These methods can be used as independent tools for dosimetric calculation in many applications of quality assurance. However, the applicability of such methods has some limitations, even in homogeneous media, specially at off axis points, near beam fringes or outside the beam. Only methods derived from tissue-air-ratio (TAR) or scatter-maximum-ratio (SMR) have been devised for those situations, many years ago. Despite there have been improvements for these manual methods, like the Sc-Sp ones, no attempt has been made to extend their usage at off axis points. In this work, a semiempirical formalism was introduced, based on the works of Venselaar et al. (1999) and Sanz et al. (2004), aimed to the ...

International Nuclear Information System (INIS)

In July 2005 a new algorithm was released by Varian Medical Systems for the Eclipse planning system and installed in our institute. It is the anisotropic analytical algorithm (AAA) for photon dose calculations, a convolution/superposition model for the first time implemented in a Varian planning system. It was therefore necessary to perform validation studies at different levels with a wide investigation approach. To validate the basic performances of the AAA, a detailed analysis of data computed by the AAA configuration algorithm was carried out and data were compared against measurements. To better appraise the performance of AAA and the capability of its configuration to tailor machine-specific characteristics, data obtained from the pencil beam convolution (PBC) algorithm implemented in Eclipse were also added in the comparison. Since the purpose of the paper is to address the basic performances of ...

Energy Technology Data Exchange (ETDEWEB)

Development of a number of original 3-D migration methods and algorithms is described. The computational efficiency of these algorithms is demonstrated by implementing them on vector and parallel supercomputers. Two-dimensional post-stack and pre-stack depth migration algorithms in the frequency - space domain using implicit finite difference method were also developed and implemented on a parallel computer, and adapted for applications that range from deep crustal imaging of seismic wavefields that involve wide ranging travel times and frequencies. All implicit finite difference migration algorithms were highly prallelized . The one pass 3-D post-stack depth migration algorithm was extensively used for imaging of seismic monitoring data from Cold Lake, Alberta. Experience shows that it provides the right trade-off between accuracy and computational efficiency. A new formulation of ...

Science.gov (United States)

Research into methods for reasoning under uncertainty is currently one of the most exciting areas of artificial intelligence, largely because it has recently become possible to record, store, and process large amounts of data. While impressive achievements have been made in pattern classification problems such as handwritten character recognition, face detection, speaker identification, and prediction of gene function, it is even more exciting that researchers are on the verge of introducing systems that can perform large-scale combinatorial analyses of data, decomposing the data into interacting components. For example, computational methods for automatic scene analysis are now emerging in the computer vision community. These methods decompose an input image into its constituent objects, lighting conditions, motion patterns, etc. Two of the main challenges are finding effective representations and models in specific applications and finding efficient algorithms ...

International Nuclear Information System (INIS)

Reactor COre Protection System (RCOPS), an advanced core protection calculator system, is a digitized one which provides core protection function based on two reactor core operation parameters, Departure from Nucleate Boiling Ratio (DNBR) and Local Power Density (LPD). It generates a reactor trip signal when the core condition exceeds the DNBR or LPD design limit. It consists of four independent channels adapted a two-out-of-four trip logic. System configuration, hardware platform and an improved algorithm of the newly designed core protection calculator system are described in this paper. One channel of RCOPS was implemented as a single channel facility for this R and D project where we performed final integration software testing. To implement custom function blocks, pSET is used. Software test is performed by two methods. The first method is a 'Software Module Test' and the second method is a 'Software Unit Test'. New features include improvement of core thermal ...

Energy Technology Data Exchange (ETDEWEB)

This paper uses multi-pass iteration particle swarm optimization (MIPSO) to solve short term hydroelectric generation scheduling of a power system with wind turbine generators. MIPSO is a new algorithm for solving nonlinear optimal scheduling problems. A new index called iteration best (IB) is incorporated into particle swarm optimization (PSO) to improve solution quality. The concept of multi-pass dynamic programming is applied to modify PSO further and improve computation efficiency. The feasible operational regions of the hydro units and pumped storage plants over the whole scheduling time range must be determined before applying MIPSO to the problem. Wind turbine power generation then shaves the power system load curves. Next, MIPSO calculates hydroelectric generation scheduling. It begins with a coarse time stage and searching space and refines the time interval between two time stages and the search spacing pass by pass (iteration). With the cooperation of ...

International Nuclear Information System (INIS)

This article considers a hypothetical imaging device with a spinning slat collimator that measures parallel-planar-integral data from an object. This device rotates around the object 180 deg. and stops at N positions uniformly distributed over this 180 deg. . At each stop, the device spins on its own axis 180 deg. and acquires measurements at M positions uniformly distributed over this 180 deg. . For a fixed total imaging time, an optimal distribution of the scanning time among the data measurement locations is searched by a nonlinear programming method: Nelder-Mead's simplex method. The optimal dwell time is approximately proportional to the weighting factor in the backprojector of the reconstruction algorithm. By using an optimal dwell-time profile, the reconstruction signal-to-noise ratio has a gain of 23%-24% for the filtered backprojection algorithm and a gain of 10%-18% for the iterative algorithms, compared with the ...

Science.gov (United States)

A voice-tracking algorithm was developed and tested for the purposes of electronically separating the voice signals of simultaneous talkers. Many individuals suffer from hearing disorders that often inhibit their ability to focus on a single speaker in a multiple speaker environment (the cocktail party effect). Digital hearing aid technology makes it possible to implement complex algorithms for speech processing in both the time and frequency domains. In this work, an average magnitude difference function (AMDF) was performed on mixed voice signals in order to determine the fundamental frequencies present in the signals. A time prediction neural network was trained to recognize normal human voice inflection patterns, including rising, falling, rising-falling, and falling-rising patterns. The neural network was designed to track the fundamental frequency of a single talker based on the training procedure. The output of the neural network can be ...