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)

Science.gov (United States)

High-level ab initio calculations have been performed on the exo and endo isomers of gas-phase

International Nuclear Information System (INIS)

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 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 1998 American Institute of Physics.

Czech Academy of Sciences Repository

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Energy Technology Data Exchange (ETDEWEB)

We have developed a kinetic Monte Carlo (kMC) simulator that links atomic migration and binding energies determined primarily from first principles calculations to macroscopic phenomena and laboratory time scales. Input for the kMC simulation is obtained from a combination of ab initio planewave pseudopotential calculations, molecular dynamics simulations, and experimental data. The simulator is validated against an extensive series of experimental studies of the diffusion of B spikes in self-implanted Si. The implant energy, dose, and dose rate, as well as the detailed thermal history of the sample, are included. Good agreement is obtained with the experimental data for temperatures between 750 and 950 C and times from 15 to 255 s. At 1050o C we predict too little diffusion after 105 s compared to experiment: apparently, some mechanism which is not adequately represented by our model becomes important at this temperature. ...

Energy Technology Data Exchange (ETDEWEB)

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.

Energy Technology Data Exchange (ETDEWEB)

The structure of ammonium azide (NH{sub 4})N{sub 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{sup 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.

Energy Technology Data Exchange (ETDEWEB)

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.

Energy Technology Data Exchange (ETDEWEB)

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.

Energy Technology Data Exchange (ETDEWEB)

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.

Energy Technology Data Exchange (ETDEWEB)

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.

Energy Technology Data Exchange (ETDEWEB)

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)

Energy Technology Data Exchange (ETDEWEB)

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-, ...

Energy Technology Data Exchange (ETDEWEB)

(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 ...

Energy Technology Data Exchange (ETDEWEB)

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 ...

Energy Technology Data Exchange (ETDEWEB)

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...

Energy Technology Data Exchange (ETDEWEB)

We present high-quality X-ray scattering experiments on pure water taken over a temperature range of 2 to 77 C using a synchrotron beam line at the advanced light source (ALS) at Lawrence Berkeley National Laboratory. The ALS X-ray scattering intensities are qualitatively different in trend of maximum intensity over this temperature range compared to older X-ray experiments. While the common procedure is to report both the intensity curve and radial distribution function(s), the proper extraction of the real-space pair correlation functions from the experimental scattering is very difficult due to uncertainty introduced in the experimental corrections, the proper weighting of OO, OH, and HH contributions, and numerical problems of Fourier transforming truncated data in Q-space. Instead, we consider the direct calculation of X-ray scattering spectra using electron densities derived from density functional theory based on real-space configurations generated with classical water models. ...

International Nuclear Information System (INIS)

The effects of hydrostatic pressure on the electronic band structure of the semiconductor mineral iron pyrite FeS_2 have been investigated theoretically by an ab initio full-potential linearized-augmented plane wave (FPLAPW) method within a local approximation (LDA/GGA) to the density functional theory. The calculations predict that at a pressure of 94.1 GPa the indirect band gap of pyrite FeS_2 vanishes and the material becomes a metal. This is due to the presence of the S-S and Fe-S bonds, which provide novel energy band distortions in the process of attaining the metallic state. Analysis indicates that, under increasing high pressure, the conduction bands (3p_z of sulfur and 3d_x_"2_-_y_"2+3d_x_y of iron) intrude downwards into the valence bands, which are predominantly 3d in nature. At normal pressure, the lattice constant, the bulk modulus, sulfur position parameter u, S-S bond length, and the indirect band gap of pyrite FeS_2 are ...

Energy Technology Data Exchange (ETDEWEB)

From the crystal field analysis of optical absorption spectra on monoclinic S.G. P2{sub 1}/c MgNd(BO{sub 2}){sub 5}, where Nd{sup 3+} occupies a single crystallographic position with no symmetry elements, energy level schemes and an expression of the associated wavefunctions for the 4f{sup 3} configuration of Nd{sup 3+} have been derived, considering approximate C{sub 2v} and C{sub s} (C{sub 2}) symmetries. Despite of the low symmetry of Nd{sup 3+}, resulting rms deviations between calculated and experimental levels are very satisfactory. The composition of the crystal field wavefunctions from both sets of phenomenological free-ion and crystal field parameters has been checked through a calculation of the thermal evolution of the paramagnetic susceptibility {chi}, according to the Van Vleck formula. The same simulation was performed with crystal field parameters (CFPs) resulting from the ab initio simple overlap model (SOM), considering the ...

Energy Technology Data Exchange (ETDEWEB)

The reactions of CF{sub 3}O radicals with (1) NO and (2) NO{sub 2} were studied using two different experimental techniques. A laser photolysis/LIF detection method was applied for measuring the rate constants as a function of temperature (T=222-302 K) and total pressure (p{sub tot}=7-107 mbar). Whereas the reaction with (1) NO was found to be independent of temperature and pressure with k{sub 1}=(4.5{+-}1.2) x 10{sup -11} cm{sup 3}s{sup -1}, the reaction with (2) NO{sub 2} was found to be dependent on both of these variables. The temperature dependence of k{sub 2} in the high pressure limit can be given by the expression k{sub 2{infinity}}{sup -}(T)=(8{+-}5) x 10{sup -13} exp ((863{+-}194) K/T) cm{sup 3}s{sup -1}. The product distributions of the two reactions were determined in separate experiments using steady-state photolysis combined with FTIR spectroscopy. For reaction (1) only CF{sub 2}O was found as a reaction product with a yield of 0.93{+-}0.10, independent of temperature. ...

International Nuclear Information System (INIS)

We use the Generalized Quasi-Chemical Approach (GQCA) combined with ab initio ultrasoft pseudopotential calculations within density functional theory in order to obtain the structural and electronic properties of Al_xGa_yIn_1_-_x_-_yX (X=As, P or N) quaternary alloys in the zincblende structure. Results for the bond lengths show that their variations with composition are approximately linear and that they do not deviate much from the values of the corresponding binary compounds. For the variation of the band gaps, we obtain a bowing parameter b=0.26 eV for the (Ga_0_._4_7In_0_._5_3As)_z(Al_0_._4_8In_0_._5_2As)_1_-_z quaternary alloy lattice matched to InP, in very good agreement with experimental data. In the case of AlGaInN, a bowing parameter of 0.22 eV is obtained for zincblende AlGaInN lattice matched to GaN. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Energy Technology Data Exchange (ETDEWEB)

The total and state-specific electron-ion recombination rate coefficients are obtained for FeI. The calculations are carried out using a new ab initio method that incorporates both the radiative and the dielectronic recombination processes in an unified and self-consistent manner. The computations employ the close coupling approximation and the R-matrix method from atomic collision theory. A 52 state close coupling eigenfunction expansion dominated by the states of the ground 3d{sup 6}4s and excited 3d{sup 7}, 3d{sup 6}4p, 3d{sup 5}4s{sup 2}, and 3d{sup 5}4s4p configurations of FeII are used in the present calculations. The important electron correlation and radiation damping effects are included via explicit coupling of autoionization and radiative channels. This is the first detailed atomic calculation for the recombination rates for FeI. The present rates are considerably higher than the radiative recombination rates being used currently in ...

Energy Technology Data Exchange (ETDEWEB)

Density functional theory (DFT) calculations using plane-wave methods were performed for Li2TMPO4F, LiTMPO4F, and TMPO4F (TM=V, Mn, Fe, Co, Ni) to address their feasibility as high-voltage cathode materials for Li ion batteries. We computed their structures, average open circuit voltages, and thermal stabilities for step-wise lithiation/delithation (discharge/charge) reactions. The calculations suggest that associated unit cell volume changes are sufficiently small on average that they should not be a significant detriment to the mechanical stability of the cathode. In the nickel case, the calculated volume change deviates from the series by increasing during the first delithiation step. Furthermore, the volume increases for all these materials during the second delithiation step. It appears that the relative volume expansion in the series during delithiation is directly correlated to the degree of d-p rehybridization. Predicted average open circuit voltages indicate that these ...

UK PubMed Central (United Kingdom)

Abs facilitate humoral immunity via the classical mechanisms of opsonization, complement activation, Ab-dependent cellular cytotoxicity, and toxin/viral neutralization. There is also evidence that some...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

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 ...

UK PubMed Central (United Kingdom)

Abs are central to malaria immunity, which is only acquired after years of exposure to Plasmodium falciparum (Pf). Despite the enormous worldwide burden of malaria,...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

In this study, the biosorption of Acid Blue 290 and Acid Blue 324 on Spirogyra rhizopus, a green algae growing on fresh water, was studied with respect to initial pH, temperature, initial dye concentration and biosorbent concentration. The optimum initial pH and temperature values for AB 290 and AB 324 biosorption were found to be 2.0, 30 deg. C and 3.0, 25 deg. C, respectively. It was observed that the adsorbed AB 290 and AB 324 amounts increased with increasing the initial dye concentration up to 1500 and 750 mg/L, respectively. The Langmuir, Freundlich, Redlich-Peterson and Koble-Corrigan isotherm models were applied to the experimental equilibrium data and the isotherm constants were determined by using Polymath 4.1 software. The monolayer coverage capacities of S. rhizopus for AB 290 and AB 324 dyes were found as 1356.6 mg/g and 367.0 mg/g, respectively. ...

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

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...

International Nuclear Information System (INIS)

Tripartite efflux systems are responsible for the export of toxins across both the inner and outer membranes of Gram negative bacteria. Previous work has indicated that EmrAB-TolC from Escherichia coli is such a tripartite system, comprised of EmrB an MFS transporter, EmrA, a membrane fusion protein and TolC, an outer membrane channel. The whole complex is predicted to form a continuous channel allowing direct export from the cytoplasm to the exterior of the cell. Little is known, however, about the interactions between the individual components of this system. Reconstitution of EmrA + EmrB resulted in co-elution of the two proteins from a gel filtration column indicating formation of the EmrAB complex. Electron microscopic single particle analysis of the reconstituted EmrAB complex revealed the presence of particles approximately 240 x 140 A, likely to correspond to two EmrAB dimers in a back-to-back ...

Energy Technology Data Exchange (ETDEWEB)

The results of this study show that Monte Carlo simulations of diffusion in homogeneous turbulence can be formulated in terms of the Eulerian space-time velocity autocorrelation function. Numerical results obtained using this approach agree with results obtained by Taylor (1921) using the Lagrangian autocorrelation function. Use was made of the equivalence of the Lagrangian and Eulerian Monte Carlo approaches to derive analytic relations between the Lagrangian integral time scale and the Eulerian integral space and time scales. These analytic results were verified by comparison to Monte Carlo simulations and to other theoretical results. They are in general agreement with many existing theories and semi-empirical relations.

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Details of the interaction of photons with tissue phantoms are elucidated using Monte Carlo simulations. In particular, photon sampling volumes and photon pathlengths are determined for a variety of scattering and absorption parameters. The Monte Carlo simulations are specifically designed to model light delivery and collection geometries relevant to clinical applications of optical biopsy techniques. The Monte Carlo simulations assume that light is delivered and collected by two, nearly-adjacent optical fibers and take into account the numerical aperture of the fibers as well as reflectance and refraction at interfaces between different media. To determine the validity of the Monte Carlo simulations for modeling the interactions between the photons and the tissue phantom in these geometries, the simulations were compared to measurements of aqueous suspensions of polystyrene microspheres in the ...

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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 ...

British Library Electronic Table of Contents (United Kingdom)

Interactions between cationic dye-cationic surfactant and anionic dye-cationic surfactant systems were investigated in aqueous solutions using spectrophotometric method at 288.15, 298.15, 308.15 and 318.15K. C.I. Basic Red 9 (BR9) and C.I. Acid Blue 25 (AB25) were used as cationic and anionic dyes, respectively, and hexadecyltrimethylammonium bromide (HDTMABr) was selected as cationic surfactant in this study. Although there was an interaction between the AB25 and the HDTMABr molecules, an interaction between the BR9 and HDTMABr did not occur due to the electrostatic repulsion forces. Binding constants and partition coefficients between the micellar and the bulk water phases for the AB25-HDTMABr system were calculated from the changes in absorbance values and the critical micelle concentra...

CERN Document Server

We complete the effective potential calculation of the two-loop, top/bottom Yukawa corrections to the Higgs boson masses in the Minimal Supersymmetric Standard Model, by computing the O(at^2 + at*ab + ab^2) contributions for arbitrary values of the bottom Yukawa coupling. We also compute the corrections to the minimization conditions of the effective potential at the same perturbative order. Our results extend the existing O(at^2) calculation, and are relevant in regions of the parameter space corresponding to tan(beta) >> 1. We extend to the Yukawa corrections a convenient renormalization scheme, previously proposed for the O(ab*as) corrections, that avoids unphysically large threshold effects associated with the bottom mass and absorbs the bulk of the corrections into the one-loop expression. For large values of tan(beta), the new contributions can account for a variation of several GeV in the lightest Higgs boson ...

British Library Electronic Table of Contents (United Kingdom)

The main objective of this work was to investigate the biosorption performance of unmodified and Cetylpyridinium chloride (CPC)-modified biomass of Penicillium YW 01 for Acid Blue 25 (AB 25). Maximum biosorption capacity of AB 25 onto CPC-modified biosorbent was 118.48mgg^-^1 under phosphoric-phosphate buffer with initial dye concentration of 200mgL^-^1 at 30^oC. The biosorption pattern of AB 25 onto unmodified biosorbent in aqueous solution and phosphoric-phosphate buffer was well fitted with both Langmuir and Freundlich isotherm models. While the equilibrium data of CPC-modified biosorbent in aqueous solution and phosphoric-phosphate buffer failed to fit the Freundlich isotherm model, indicating the monolayer biosorption formed onto CPC-modified biosorbent. The values of initial biosorpt...

International Nuclear Information System (INIS)

Monte Carlo criticality calculations have been performed for over 50 years for reactor physics and criticality safety applications. With today's faster computers, these calculations are being carried out to greater precision (smaller uncertainties) in keff, and detailed distributions of power and reaction rates are being computed routinely. This paper provides a review of the fundamental theory of Monte Carlo criticality calculations, with guidance on practical methods for: (1) assuring convergence of both keff and the source distribution, (2) minimizing the bias in keff and reaction rate distributions, and (3) dealing with the under-prediction bias in uncertainties for keff and reaction rate distributions. (authors)

International Nuclear Information System (INIS)

We argue that the tachyons which exist in some string models are a signal of deconfinement. We compare the deconfinement temperature obtained from Monte Carlo calculations with some string models. (orig.).

Science.gov (United States)

... Peripherals: 1 VT100 terminal and 1 high-speed ... Customer in ASP time Queue data ME ... TREATMEN OF RANDOMNESS: Stochastic, Monte Carlo. ...

Science.gov (United States)

... QVUX`TcYWjRSZ[YXTeof\\OWXabgn]egig[Z^S]^`PhlWOe_W\\V_DKFFNZSMVT_NT[QXOMX\\\\TY] aSRd[^roan`rdt[\\] pedel\\_ YWdrR`ehUodbi`_abXUbi_O[\\i[ZSfZHX^Zkhc_T^jav ...

British Library Electronic Table of Contents (United Kingdom)

The levels of General Transcription Factor (TF) IIA were examined during mammalian brain development and in rat embryo fibroblasts and transformed cell lines. The large TFIIA subunit paralogues ab and t are largely produced in unsynchronized cell lines, yet only TFIIA ab is observed in a number of differentiated tissue extracts. Steady-state protein levels of the TFIIA t, ab, and g subunits were significantly reduced when human embryonal (ec) and hepatic carcinoma cell lines were stimulated to differentiate with either all-trans-retinoic acid (ATRA) or sodium butyrate. ATRA-treated NT2-ec cells required replating to induce a neuronal phenotype and loss of detectable TFIIA t and g proteins. High levels of TFIIA t, ab, and g and Sp factors were identified in extracts from human fetal and rat...

UK PubMed Central (United Kingdom)

Background/Objective:Three patients with spinal cord injury (SCI) and 3 able-bodied (AB) patients were infused with naloxone during a study to examine their neuroendocrine...Full Text Available

UK PubMed Central (United Kingdom)

The agglutination of human platelets by ristocetin and von Willebrand factor was inhibited by aggregated immunoglobulin (Ig)G and by Fc fragments of IgG, but not by Fab, F(ab′)₂ or...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

The device is designed for automatic testing of the degree of discharge of tractive storage batteries (AB) for electric loaders, electric cars and electric ore locomotives. The basic electrical schematic of the device is cited.

Energy Technology Data Exchange (ETDEWEB)

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 ...

Energy Technology Data Exchange (ETDEWEB)

A thermal neutron imaging facility for computed tomography and real-time neutron radiography is being developed at the University of Texas at Austin. The TRIGA reactor is a graphite-reflected Mark It pool-type research reactor. The neutron imaging facility will use beam port, which is at one end of a through part. Monte Carlo calculations were used to design the neutron collimator for this facility.

Energy Technology Data Exchange (ETDEWEB)

Monte Carlo neutron transport methods can be used to verify the applicability of point kinetics for safety analysis of nuclear reactors. KENO-NR was used to obtain the transfer function of the Advanced Neutron Source reactor and the time delay between the core power production and the external detectors, a parameter of interest to the safety systems design. The good agreement between the Monte Carlo generated transfer function and the point kinetics transfer function validates that the uncommon ANS geometry does not preclude the use of point kinetics in the frequency range that was investigated. Various features of the power spectral densities also demonstrated the applicability of point kinetics. The time delay was obtained from the cross-power spectral density (CPSD) and is {approximately}15 ms. These analyses show that frequency analysis can be used experimentally to investigate the validity of the use of point kinetics models in critical ...

International Nuclear Information System (INIS)

An accurate neutronics calculation of a local thermal environment within a fast reactor presents a major challenge. A method was previously described that used Monte Carlo techniques within a macrocell to make accurate and reasonably efficient design calculations for such an environment. This method is now being further optimized for the calculation of "2"3"8Pu production in the Fast Flux Test Facility (FFTF). Here, it is not only important to determine the "2"3"8Pu production from neutron capture in "2"3"7Np, but also to calculate the production of the contamination isotope "2"3"6Pu from high-energy (n,2n) and (#gamma#,n) reactions. The power of the Monte Carlo method to automatically include geometry and energy self-shielding is retained by optimization using fission neutron source biasing in both space and energy.

CERN Document Server

Monte Carlo calculations using the codes PENELOPE and GEANT4 have been performed to characterize the dosimetric properties of monoenergetic photon point sources in water. The dose rate in water has been calculated for energies of interest in brachytherapy, ranging between 10 keV and 2 MeV. A comparison of the results obtained using the two codes with the available data calculated with other Monte Carlo codes is carried out. A chi2-like statistical test is proposed for these comparisons. PENELOPE and GEANT4 show a reasonable agreement for all energies analyzed and distances to the source larger than 1 cm. Significant differences are found at distances from the source up to 1 cm. A similar situation occurs between PENELOPE and EGS4.

Energy Technology Data Exchange (ETDEWEB)

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}.

Energy Technology Data Exchange (ETDEWEB)

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 ...

International Nuclear Information System (INIS)

This paper reports on Monte Carlo path integral simulations of a Bianchi Type IX cosmology which yield a wave function which reflects the known chaotic dynamics of the classical system and predicts a significant probability for a correlation between large universe volume and large anisotropy.

Energy Technology Data Exchange (ETDEWEB)

The Feynmann and other fluctuation techniques have been shown to be useful for determining the multiplication of subcritical systems. The moments of the counting distribution from neutron detectors is analyzed to yield the multiplication value. We present the methodology and some selected applications and results and comparisons with Monte Carlo calculations.

International Nuclear Information System (INIS)

Accurate dose calculation in radiation treatment planning is most important for successful treatment. Since human body is composed of various materials and not an ideal shape, it is not easy to calculate the accurate effective dose in the patients. Many methods have been proposed to solve inhomogeneity and surface contour problems. Monte Carlo simulations are regarded as the most accurate method, but it is not appropriate for routine planning because it takes so much time. Pencil beam kernel based convolution/superposition methods were also proposed to correct those effects. Nowadays, many commercial treatment planning systems have adopted this algorithm as a dose calculation engine. The purpose of this study is to verify the accuracy of the dose calculated from pencil beam kernel based treatment planning system comparing to Monte Carlo simulations and measurements especially in inhomogeneous region. Home-made inhomogeneous phantom, Helax-TMS ...

British Library Electronic Table of Contents (United Kingdom)

Amyloid precursor protein (APP), a key protein in pathogenesis of Alzheimer's disease (AD), is a type I transmembrane protein which can be cleaved by b- and g-secretase to release the amyloidogenic b-amyloid peptides (Ab) and the APP intracellular domain (AICD). While Ab has been widely believed to initiate pathogenic cascades culminating AD, the physiological functions and regulations of AICD remain elusive. In present study, endogenous AICD was demonstrated to be increased by canonical Wnt signal. Instead of due to g-secretase activity, enhanced AICD expression was found due to the increased protein stability by Wnt/b-catenin. b-Catenin was demonstrated to be an associating partner of AICD, capable of promoting AICD mediated transcriptional activity. Investigation by AICD mutants proved ...

British Library Electronic Table of Contents (United Kingdom)

Alzheimer's disease (AD) is a neurodegenerative disorder for which the research of new treatments is highly challenging. Since the fibrillogenesis of amyloid-b peptide 1-42 (Ab1-42) peptide is considered as a major cause of neuronal degeneration, specific interest has been focused on aromatic molecules for targeting this peptide. In this paper, the synthesis of selegiline-functionalized and fluorescent poly(alkyl cyanoacrylate) nanoparticles (NPs) and their evaluation for the targeting of the Ab1-42 peptide are reported. The synthetic strategy relied on the design of amphiphilic copolymers by tandem Knoevenagel-Michael addition of cyanoacetate derivatives, followed by their self-assembly in aqueous solutions to give the corresponding NPs. Different cyanoacetates were used: (i) hexadecyl cy...

British Library Electronic Table of Contents (United Kingdom)

Using the peptide hormone glucagon and Ab(1-40) as model systems, we have sought to elucidate the mechanisms by which fibrils grow and multiply. We here present real-time observations of growing fibrils at a single-fibril level. Growing from preformed seeds, glucagon fibrils were able to generate new fibril ends by continuously branching into new fibrils. To our knowledge, this is the first time amyloid fibril branching has been observed in real-time. Glucagon fibrils formed by branching always grew in the forward direction of the parent fibril with a preferred angle of 35-40degree. Furthermore, branching never occurred at the tip of the parent fibril. In contrast, in a previous study by some of us, Ab(1-40) fibrils grew exclusively by elongation of preformed seeds. Fibrillation kinetics i...

Energy Technology Data Exchange (ETDEWEB)

A method, which estimates the lightning performance of high voltage transmission lines based on the Monte-Carlo simulation technique, is described in this paper. The average number of faults which occur in a transmission line, dividing them in single-phase and three-phase faults, as well as the average grounding resistances of the transmission lines are calculated. The method is applied, on several operating Greek transmission lines, showing good correlation between predicted and field observation results. The proposed method can be used as a useful tool in the design of electric power systems, aiding in the right insulation dimensioning of a transmission line.(author)

British Library Electronic Table of Contents (United Kingdom)

The Monte Carlo ray-tracing method is applied and coupled with optical properties to predict the radiation performance of solar concentrator/cavity receiver systems. Several different cavity geometries are compared on the radiation performance. A flux density distribution measurement system for dish parabolic concentrators is developed. The contours of the flux distribution for target placements at different distances from the dish vertex of a solar concentrator are taken by using an indirect method with a Lambert and a charge coupled device (CCD) camera. Further, the measured flux distributions are compared with a Monte Carlo-predicted distribution. The results can be a valuable reference for the design and assemblage of the solar collector system.

International Nuclear Information System (INIS)

The global effect of activation cross-section uncertainties on calculated radiological quantities is investigated for the first time using a methodology based on Monte Carlo random sampling. The method is applied to the calculation of the uncertainty in the contact dose rate from the gunite shielding of the National Ignition Facility chamber after 30 yr of pulsed irradiation. Some critical cross section contributing significantly to the overall uncertainty are identified. By a reasonable reduction of the uncertainty in those cross sections, the accuracy in the calculated total contact dose rate is greatly improved.

International Nuclear Information System (INIS)

During the last few decades, accuracy in photon and electron radiotherapy has increased substantially. This is partly due to enhanced linear accelerator technology, providing more flexibility in field definition (e.g. the usage of computer-controlled dynamic multileaf collimators), which led to intensity modulated radiotherapy (IMRT). Important improvements have also been made in the treatment planning process, more specifically in the dose calculations. Originally, dose calculations relied heavily on analytic, semi-analytic and empirical algorithms. The more accurate convolution/superposition codes use pre-calculated Monte Carlo dose 'kernels' partly accounting for tissue density heterogeneities. It is generally recognized that the Monte Carlo method is able to increase accuracy even further. Since the second half of the 1990s, several Monte Carlo dose engines for radiotherapy treatment planning have been introduced. To ...

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)

A scaling Monte Carlo method has been developed to calculate diffuse reflectance from multilayered media with a wide range of optical properties in the ultraviolet-visible wavelength range. This multilayered scaling method employs the photon trajectory information generated from a single baseline Monte Carlo simulation of a homogeneous medium to scale the exit distance and exit weight of photons for a new set of optical properties in the multilayered medium. The scaling method is particularly suited to simulating diffuse reflectance spectra or creating a Monte Carlo database to extract optical properties of layered media, both of which are demonstrated in this paper. Particularly, it was found that the root-mean-square error (RMSE) between scaled diffuse reflectance, for which the anisotropy factor and refractive index in the baseline simulation were, respectively, 0.9 and 1.338, and independently simulated diffuse ...

International Nuclear Information System (INIS)

International standards and guidelines for calibrating high-dose dosimetry systems to be used in industrial radiation processing recommend that dose-rate effects on dosimeters be evaluated under conditions of use. This is important when the irradiation relies on high-current electron accelerators, which usually provide very high dose-rates. However, most dosimeter calibration facilities use low-intensity gamma radiation or low-current electron accelerators, which deliver comparatively low dose-rates. Because of issues of thermal conductivity and response, portable calorimeters cannot be practically used with high-current accelerators, where product conveyor speeds under an electron beam can exceed several meters per second and the calorimeter is not suitable for use with product handling systems. As an alternative, Monte Carlo calculations can give theoretical estimates of the absorbed dose in materials with flat or complex configurations such that the results are ...

Science.gov (United States)

TART97 is a coupled neutron-photon, 3 dimensional, combinatorial geometry, time dependent Monte Carlo transport code. This code can run on any modern computer. It is a complete system to assist you with input preparation, running Monte Carlo calculations, and analysis of output results. TART97 is also incredibly fast: if you have used similar codes, you will be amazed at how fast this code is compared to other similar codes. Use of the entire system can save you a great deal of time and energy. TART 97 is distributed on CD. This CD contains on-line documentation for all codes included in the system, the codes configured to run on a variety of computers, and many example problems that you can use to familiarize yourself with the system. TART97 completely supersedes all older versions of TART, and it is strongly recommended that users only use the most recent version of TART97 and ist data files.

International Nuclear Information System (INIS)

The use of computer codes based on Monte Carlo methods to perform criticality calculations has become common-place. Although results frequently published in the literature report calculated k_e_f_f values to four decimal places, people who use the codes in their everyday work say that they only believe the first two decimal places of any result. The lack of confidence in the computed k_e_f_f values may be due to the tendency of the reported standard deviation to underestimate errors associated with the Monte Carlo process. The standard deviation as reported by the codes is the standard deviation of the mean of the k_e_f_f values for individual generations in the computer simulation, not the standard deviation of the computed k_e_f_f value compared with the physical system. A more subtle problem with the standard deviation of the mean as reported by the codes is that all the k_e_f_f values from the separate generations are not statistically ...

Energy Technology Data Exchange (ETDEWEB)

A novel direct calculation method of response matrices on heterogeneous lattices by using the Monte Carlo method is proposed. These direct response matrices (DRMs) can be used in core calculations in place of the conventional homogenized lattice constants. The DRMs are formalized by four sub response matrices (sub-RMs) in order to respond to a core eigenvalue, k; thus the DRMs can be re-evaluated on each outer iteration in the core calculations. The sub-RMs can be evaluated by analyzing each neutron's trajectory from ordinary lattice calculations with the Monte Carlo code. Since these sub-RMs are calculated directly under an actual complex assembly geometry, i,e., without a homogenization process, intra-assembly heterogeneous effects can be reflected on global partial current balance calculations. With using two of the sub-RMs, which deal with neutron production probabilities for each fuel pin, and the obtained partial current balance, ...

CERN Document Server

This book examines the applications of Monte Carlo (MC) calculations in therapeutic nuclear medicine, from basic principles to computer implementations of software packages and their applications in radiation dosimetry and treatment planning. It is written for nuclear medicine physicists and physicians as well as radiation oncologists, and can serve as a supplementary text for medical imaging, radiation dosimetry and nuclear engineering graduate courses in science, medical and engineering faculties. With chapters is written by recognised authorities in that particular field, the book covers the entire range of MC applications in therapeutic medical and health physics, from its use in imaging prior to therapy to dose distribution modelling targeted radiotherapy. The contributions discuss the fundamental concepts of radiation dosimetry, radiobiological aspects of targeted radionuclide therapy and the various components and steps required for implementing a dose ...

Energy Technology Data Exchange (ETDEWEB)

To represent a heterogeneous unsaturated fractured rock by its homogeneous equivalent, Monte Carlo simulations are used to obtain upscaled (effective) flow properties. In this study, we present a numerical procedure for upscaling the van Genuchten parameters of unsaturated fractured rocks by conducting Monte Carlo simulations of the unsaturated flow in a domain under gravity-dominated regime. The simulation domain can be chosen as the scale of block size in the field-scale modeling. The effective conductivity is computed from the steady-state flux at the lower boundary and plotted as a function of the averaging pressure head or saturation over the domain. The scatter plot is then fitted using van Genuchten model and three parameters, i.e., the saturated conductivity K{sub s}, the air-entry parameter {alpha}, the pore-size distribution parameter n, corresponding to this model are considered as the effective K{sub s}, effective {alpha}, and ...

Energy Technology Data Exchange (ETDEWEB)

A three-dimensional, continuous-energy, coupled neutron-gamma Monte Carlo model of the advanced neutron source (ANS) final preconceptual reference core design has been developed using MCNP Version 3b. This model contains the reactor core with control rods, the heavy-water reflector tank with shutdown rods and representative beam tubes, and the outer light-water poor. Eighty homogenized fuel zones per fuel element are used to represent the radical and axial {sup 235}U fuel grading. This model is the most sophisticated, physically accurate reactor physics model of the ANS currently available. The purpose of this summary is to demonstrate the MCNP methods and applications for the ANS.

Energy Technology Data Exchange (ETDEWEB)

The liquid/vapor coexistence density, the partial vapor pressure, and the heat of vaporization were calculated using Gibbs ensemble Monte Carlo simulation techniques. Long-range interactions such as charge-charge, charge-dipole, and dipole-dipole were evaluated using Ewald summation techniques. A polarizable potential model was used to describe the water-water interactions (Dang and Chang, J. Chem. Phys. 106, 8149, 1997). The model yields good agreement with the corresponding experimental data in the lower temperature region and moderate agreement in the higher temperature region. The critical temperature and density were estimated to be 565 K and 0.28 g/cm3.

International Nuclear Information System (INIS)

The Monte-Carlo method and experimental methods were used to determine the neutron fluxes in the irradiation channels of the Ghana Research Reactor -1. The MCNP5 code was used for this purpose to simulate the radial and axial distribution of the neutron fluxes within all the ten irradiation channels. The results obtained were compared with the experimental results. After the MCNP simulation and experimental procedure, it was observed that axially, the fluxes rise to a peak before falling and then finally leveling out. Axially and radially, it was also observed that the fluxes in the centre of the channels were lower than on the sides. Radially, the fluxes dip in the centre while it increases steadily towards the sides of the channels. The results have shown that there are flux variations within the irradiation channels both axially and radially. (au)

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 ...

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)

Tumor-targeted monoclonal antibodies (mAb) might be useful as diagnostic or therapeutic agents when linked to cytotoxic or imaging reagents. Our group is working to test this hypothesis by linking cytocidal and image-producing isotopes to mAb and testing the utility of the radioimmunoconjugates formed in animal model systems. Radioiodines were first employed for these purposes,but unfavorable nuclear properties (half-lives, #gamma#-ray and #beta#-particle energies) and chemical reactivity (deiodination in vivo) limit their utility. Labeling immunoproteins with metallic radionuclides offers more versatility in that the selection of potentially useful radiometals spans the periodic table.Of the metallic radionuclides with physical properties most suited for use with mAb in nuclear medicine, few are more available or desirable than those of bismuth ("2"1"2Bi) and lead ("2"0"3Pb, "2"1"2Pb), as listed in Table 1. "2"1"2Bi or ...

Energy Technology Data Exchange (ETDEWEB)

The electrogeometric model cannot consider the influence of some parameters on the screening of the wire conductor of the H.V. lines. For analysing the influence of these parameters (the conductor potential, the influence of the distance from phase conductor to earth wire, the influence of the reducing factor of the striking earth distance, the earth slope, etc.), the Monte Carlo method is preferable. The influence of the earth slope on the screening effect of the wire conductor for different conditions is presented in this paper. (author)

Energy Technology Data Exchange (ETDEWEB)

Previous models and evaluation techniques based on the Monte Carlo simulation for the reliability assessment of mixed hydrothermal generation systems are extended. Models for reservoirs on multiple rivers and pumped storage plants are developed. Operating and water management policies are extended to include the relative economical effects of operating alternative sources of generation. These effects and the benefits are described and discussed using an extended IEEE reliability test system. (Author).

Energy Technology Data Exchange (ETDEWEB)

A Monte Carlo simulation of the vacuum Bianchi type-IX (mixmaster) cosmology yields a significant correlation between large universe volume and high anisotropy. An analog of the model's chaotic classical behavior is seen in the break up of the universe wave function at large volume into fingers in the corners of the minisuperspace anisotropy potential.

Science.gov (United States)

The Milstar communications satellite system will provide secure antijam communication capabilities for DOD operations into the next century. In order to accomplish this task, the Milstar system will employ precise timekeeping on its satellites and at its ground control stations. The constellation will consist of four satellites in geosynchronous orbit, each carrying a set of four rubidium (Rb) atomic clocks. Several times a day, during normal operation, the Mission Control Element (MCE) will collect timing information from the constellation, and after several days use this information to update the time and frequency of the satellite clocks. The MCE will maintain precise time with a cesium (Cs) atomic clock, synchronized to UTC(USNO) via a GPS receiver. We have developed a Monte Carlo simulation of Milstar's space segment timekeeping. The simulation includes the effects of: uplink/downlink time transfer noise; satellite crosslink time transfer noise; satellite ...

International Nuclear Information System (INIS)

The status of Monte Carlo system for the simulation of Bremsstrahlung in arbitrary decays and for the decay itself of #tau# -lepton is reviewed. During the last #tau# -lepton conference in 2010 several developments of the last two years have been presented: (i) For the TAUOLA Monte Carlo generator of #tau# -lepton decays, automated and simultaneous use of many versions of form-factors for the calculation of optional weights for fits was developed and checked to work in Belle and BaBar software environment. On-going work on alternative parameterizations of hadronic decays is presented too. (ii) The TAUOLA universal interface based on HepMC (the C++ event record) is now public. A similar interface for PHOTOS is now also public. (iii) Extension of PHOTOS Monte Carlo for QED Bremsstrahlung in decays featuring kernels based on complete first order matrix element are gradually becoming widely available thanks to properties of the ...

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 performed better overall than AAA compared to VMC++, but AAA remains an attractive option for routine ...

International Nuclear Information System (INIS)

The Monte Carlo transport codes LAHET and MCNP were used to calculate energy fluence spectra at three neutron therapy facilities. The results compare very favourably with measured data. Kerma spectra and the ratio of ICRU muscle tissue kerma to A-150 kerma, along the carbon to oxygen kerma ratio, were determined. Absorbed dose rate calculations are in reasonable agreement with measured values. Use of these codes to study modifications to existing therapy beams is briefly discussed. (author).

International Nuclear Information System (INIS)

We present our plans for a Monte-Carlo code simulating all possible combinations of (electromagnetic) interactions between colliding electron, positron, and both high-energy and laser photon beams, based, on the ABEL code for beam-beam interaction. The implementation and first results for the laser-e"- interaction are described.

Energy Technology Data Exchange (ETDEWEB)

The theory of neutron moderation and spectroscopy are briefly reviewed, and moderators that are useful for Bonner sphere spectrometers are discussed. The choice of the neutron detector for a Bonner sphere spectrometer is examined. Spectral deconvolution methods are briefly reviewed, including derivative, parametric, quadrature, and Monte Carlo methods. Calibration is then discussed. (LEW)

Energy Technology Data Exchange (ETDEWEB)

A model has been developed to predict the chemical composition of lakes that form in pyrite-bearing open-pit mines. Pyrite oxidation in wall rock releases sulfuric acid and metals, which mix with ground waters in the lake. Aqueous metal concentrations are calculated using MINTEQA2.

Science.gov (United States)

We describe the Hubble Space Telescope (HST) Wide Field Camera 3 (WFC3) Early Release Science (ERS) observations in the GOODS-South field. The new WFC3 ERS data provide calibrated, drizzled mosaics with FHWM=0.07--0.15" in the near-UV (filters F225W, F275W, and F336W) and near-IR (F098W, F125W, and F160W) in typically 2 orbits per filter. Together with the existing HST/ACS GOODS-S mosaics in the BVi'z' filters, the 10-band ERS data cover 40-50 sq. arcmin to AB=26-27.0 mag (10-sigma for point sources). In this poster, we describe the: (1) scientific rationale, data taking and reduction procedures of the WFC3 ERS mosaics; (2) object cataloging and star-galaxy separation techniques used in these 10 different filters; (3) reliability and completeness of the 10-band object catalogs from the ERS mosaics; (4) object counts in 10 different filters from 0.2-1.7 microns to AB=26.0-27.0 mag; and (5) the full-color 10-band ERS images. We discuss the ...

International Nuclear Information System (INIS)

The Accelerator Transmutation Waste System is under development at the Los Alamos National Laboratory. The goal is to perform an independent verification of the feasibility of actinide and long-lived fission product burning in this system. The authors' work is divided into five tasks: (a) production of an actinide and long-lived fission product cross section library from JEF 2.2; (b) simulation using MCNP and KENO IV Monte Carlo codes, of the Accelerator Transmutation Waste System configurations existing in literature; (c) validation of HETC Monte Carlo code (production of spallation source); (d) validation of the cross sections by comparison of Keff and reaction rate results, calculated with MNCP and KENO IV, with experimental benchmarks and intercomparison between the authors' calculations of a PWR unit cell and the computations carried out with various codes and cross section libraries (NEACRP critically group data); and (e) simulation of ...

CERN Document Server

One of the most active areas of physics in the last decades has been that of critical phenomena, and Monte Carlo simulations have played an important role as a guide for the validation and prediction of system properties close to the critical points. The kind of phase transitions occurring for the Betts lattice (lattice constructed removing 1/7 of the sites from the triangular lattice) have been studied before with the Potts model for the values q=3, ferromagnetic and antiferromagnetic regime. Here, we add up to this research line the ferromagnetic case for q=4 and 5. In the first case, the critical exponents are estimated for the second order transition, whereas for the latter case the histogram method is applied for the occurring first order transition. Additionally, Domany's Monte Carlo based clustering technique mainly used to group genes similar in their expression levels is reviewed. Finally, a control theory tool --an adaptive observer-- ...

International Nuclear Information System (INIS)

We calculate parity-dependent level densities for the even-even isotopes "5"8","6"2","6"6Fe and "5"8Ni and the odd-A nuclei "5"9Ni and "6"5Fe using the shell model Monte Carlo method. We perform these calculations in the complete fp-gds shell-model space using a pairing+quadrupole residual interaction. We find that, due to pairing of identical nucleons, the low-energy spectrum is dominated by positive parity states. Although these pairs break at around the same excitation energy in all nuclei, the energy dependence of the ratio of negative-to-positive parity level densities depends strongly on the particular nucleus of interest. We find equilibration of both parities at noticeably lower excitation energies for the odd-A nuclei "5"9Ni and "6"5Fe than for the neighboring even-even nuclei "5"8Ni and "6"6Fe.

International Nuclear Information System (INIS)

High resolution Monte-Carlo simulations show that the neutron spectrum, fuel burnup and fuel temperature feedback effect of a PWR core loaded with Thoria-based fuel (Th/Pu-O_2) do not significantly differ from the MOX fuelled one due to the similar neutronic characteristics of both fertile materials (Th-232, U-238). The core physics of this fuel variant is characterized by an enhanced moderator/void temperature coefficient (by factor 2.4) and high incineration rate for Pu (approx. 60 %). A PWR core loaded with the Molybdenum-based inert matrix fuel (IMF) - in contrast to MOX-, shows a harder spectrum, resulting in small temperature coefficients of reactivity and particularly in a higher fuel depletion rate as well as an enhanced TRU reduction performance. The incineration of Pu amounts to 46 % resulting, in turn, in generation of minor actinides of about 10 % of the total Pu consumption. The higher excess reactivity resulting from the initial Pu contents is ...

Energy Technology Data Exchange (ETDEWEB)

A technique capable of measuring the electron energy fluence spectra in a scattering medium was designed. These measurements were performed by setting a bremsstrahlung conversion target on the surface of a phantom, at an intermediate depth, and at a depth equal to electron mean range. The bremsstrahlung produced by the deceleration of electrons in the target was passed through an air channel in the phantom and passed forward by a pinhole collimator into a Na(Tl) detector. The measured pulse height data were unfolded to correct for the distortion of the spectrometer system by using the FORIST unfolding code. The unfolded bremsstrahlung spectra represent the electron energy fluence spectra convolution with the bremsstrahlung produced in the target. To generate the electron energy fluence spectra, the unfolded bremsstrahlung spectra were deconvoluted by using the MAZE2 unfolding code. CYLTRAN, a coupled electron-photon Monte Carlo transport code, was used to produce ...

International Nuclear Information System (INIS)

In this paper, we report kinetic Monte Carlo study on the diffusion behavior of boron in silicon crystal, more particularly on the transient enhanced diffusion (TED) of boron in silicon during implantation and annealing. Firstly, the accuracy of our KMC code was verified by investigating the time evolutionary behavior of interstitial (I) and vacancy (V) when a silicon substrate is implanted with silicon dose with an energy of 10 keV and with a dose of 1 X 10"1"4 ions/cm"2. To investigate the influence of native defects (I, V) on boron diffusion, a single and multi boron markers grown by MBE were employed. The simulation results revealed that the precursor of boron cluster (BI_2) is dominant at the initial stage of annealing, which explains the boron TED phenomenon in terms of the concentration of boron complexes and I, V clusters, respectively. The formation of #left brace#311#right brace# defects and dislocation loop were observed from the time-evolutionary study ...

CERN Document Server

Monte Carlo calculations using the codes PENELOPE and GEANT4 have been performed to characterize the dosimetric parameters of the new 20 mm long catheter based $^{32}$P beta source manufactured by Guidant Corporation. The dose distribution along the transverse axis and the two dimensional dose rate table have been calculated. Also, the dose rate at the reference point, the radial dose function and the anisotropy function were evaluated according to the adapted TG-60 formalism for cylindrical sources. PENELOPE and GEANT4 codes were first verified against previous results corresponding to the old 27 mm Guidant $^{32}$P beta source. The dose rate at the reference point for the unsheathed 27 mm source in water was calculated to be $0.215 \\pm 0.001$ cGy s$^{-1}$ mCi$^{-1}$, for PENELOPE, and $0.2312 \\pm 0.0008$ cGy s$^{-1}$ mCi$^{-1}$, for GEANT4. For the unsheathed 20 mm source these values were $0.2908 \\pm 0.0009$ cGy s$^{-1}$ mCi$^{-1}$ and $0.311 \\pm 0.001$ cGy ...

Energy Technology Data Exchange (ETDEWEB)

Traditional farmers and harvesters of non-timber forest products in Peten treat the forest in ways that conserve and regenerate its resources. They believe no one owns the forest outright. Humans share it with other life forms and therefore no one has the right to monopolize or destroy forest resources. Traditional Peteneros find a use for almost everything in the forest, and believe it neither smart nor proper to use a given area for a single purpose, for example, to clear an area of all trees and devote it exclusively to a cattle pasture. In the traditional system most medicinal plants, basic foodstuffs, fuelwoods and construction materials are taken from the bosque (secondary forests within walking distance of human settlements). Peteneros` sustainable use of bosques eases pressure on the monte (primary forests). In the monte Peteneros` harvesting practices are protective of resources, causing minimal damage. Finding almost everything in the ...

International Nuclear Information System (INIS)

Ion implantation and subsequent annealing are essential stages in today's advanced CMOS processing. Although the dopant implanted profile can be accurately predicted by analytical fits calibrated with SIMS profiles, the damage has to be estimated with a binary collision approximation implant simulator. Some models have been proposed, like the '+n', in an attempt to simplify the anneal simulation. We have used the atomistic kinetic Monte Carlo dados to elucidate which are the implant modeling features most relevant in the simulation of transient enhanced diffusion (TED). For the experimental conditions studied we find that the spatial correlation of the I, V Frenkel pairs is not critical in order to yield the correct I supersaturation, that can be simulated just taking into account the net I-V excess distribution. In contrast to, simulate impurity clustering/deactivation when there is an impurity concentration comparable to the net I-V excess, the full I and V ...

British Library Electronic Table of Contents (United Kingdom)

Tungsten, in the form of tungstate, polymerizes with phosphate, and as extensive polymerization occurs, cellular phosphorylation and dephosphorylation reactions may be disrupted, resulting in negative effects on cellular functions. A series of studies were conducted to evaluate the effect of tungsten on several phosphate-dependent intracellular functions, including energy cycling (ATP), regulation of enzyme activity (cytosolic protein tyrosine kinase [cytPTK] and tyrosine phosphatase), and intracellular secondary messengers (cyclic adenosine monophosphate [cAMP]). Rat noncancerous hepatocyte (Clone-9), rat cancerous hepatocyte (H4IIE), and human cancerous hepatocyte (HepG2) cells were exposed to 1-1000 mg/l tungsten (in the form of sodium tungstate) for 24 h, lysed, and analyzed for the ab...

Energy Technology Data Exchange (ETDEWEB)

The human articular cartilagineous proteoglycans (PG) R.I.A. is highly specific. The PG used as the standard and the /sup 125/I labelled molecule appear to be pure. Under these conditions, all the potential interfering substances which have been tested show no cross reaction. For instance, the Ag-Ab equilibrium is not affected by adding human IgG, human albumin, hyaluronic acid, chondroitin sulfate, rat type II collagen or total human serum proteins. This R.I.A. also exhibits a species spcificity since there is no cross reaction with rat PG and negligible cross section with dog PG. The results obtained after addition of enzymes to the antigen demonstrate that the antigenic sites are localized on the protein region and not on the glycosaminoglycan region of the molecule.

Energy Technology Data Exchange (ETDEWEB)

A survey was undertaken of literature on the conversion of coke-fired cupola furnaces so that they can be fuelled, either wholly or partially, with natural gas. The aim was to determine the most suitable method for a specific furnace. Substitution with natural gas can result in speedier adjustment and control of the smelting process and in addition operational costs are reduced as natural gas is a cheaper fuel. The payback period would be one year. Pollutive emissions would be reduced. It was concluded that the most satisfactory solution would be that 3-4 gas burners should be placed immediately above the smelting zone in the furnace. Each burner should be placed in a separate combustion box in which the complete combustion process could take place. The burners should be placed symmetrically about the furnace, pointing at a small degree downwards. In this way the combustion chamber will not be filled with materials from the furnace and the burners will not be damaged. ...

British Library Electronic Table of Contents (United Kingdom)

A new chemical reactor, the Open Plate Reactor, is being developed by Alfa Laval AB. It combines good mixing with high heat transfer capacity into one operation. With the new concept, highly exothermic reactions can be produced using more concentrated reactants. A nonlinear model of the reactor is derived and a control system is developed. For temperature control a cooling system is designed and experimentally verified, which uses a mid-ranging control structure to increase the operating range of the hydraulic equipment. A Model Predictive Controller is proposed to maximize the conversion under hard input and state constraints. An extended Kalman filter is designed to estimate unmeasured concentrations and parameters. Simulations show that the designed control system gives high conversion ...

Energy Technology Data Exchange (ETDEWEB)

ABB High Voltage Cables AB started the MPS (More Power Submarine cables) project in 1993 with a view to exploring new technology opportunities. The goal is to design and type test a submarine HVDC cable for a capacity of 1200 MW at 600 kV. On the day before ABB announced its success in winning the contract for the world`s largest ever submarine HVDC link project for the gigantic Bakun project in Malaysia, ABB Power Systems described progress to date at a symposium in Karlskrona. The proceedings included a test demonstration on an extruded cable which eventually broke down at a stress of over 935 kV -not in the insulation itself but in the end terminations. The electric field was in excess of 200 kV/mm which is higher than ever before reported. (UK)

British Library Electronic Table of Contents (United Kingdom)

2-methylpropan-1-ol (isobutanol) is a leading candidate biofuel for the replacement or supplementation of current fossil fuels. Recent work has demonstrated glucose to isobutanol conversion through a modified amino acid pathway in a recombinant organism. Although anaerobic conditions are required for an economically competitive process, only aerobic isobutanol production has been feasible due to an imbalance in cofactor utilization. Two of the pathway enzymes, ketol-acid reductoisomerase and alcohol dehydrogenase, require nicotinamide dinucleotide phosphate (NADPH); glycolysis, however, produces only nicotinamide dinucleotide (NADH). Here, we compare two solutions to this imbalance problem: (1) over-expression of pyridine nucleotide transhydrogenase PntAB and (2) construction of an NADH-de...

Energy Technology Data Exchange (ETDEWEB)

The overall aim is to develope programme modules for a Danish integrated computer system for projecting buildings and to ensure that Danish programmes are compatible with international systems. The programmes to be integrated here were AutoCAD and SCRIBE-Models and the simulation programme tsbi3 for the calculation of indoor climate conditions, power demand and energy consumption in buildings. For the calculation of humidity and temperature conditions in constructions a certain amount of integration is carried out with the MATCH programme (Moisture And Temperature calculations for Constructions of Hygroscopic materials). The activities embodied in the pilot projects are described in this working report in addition to individual computer programmes and prototypes, and examples and diagrams are presented. The programmes described deal with handling design elements in relation to AutoCAD designs, and the formatting of a building`s data from AutoCAD to tsbi3 format. ...

CERN Document Server

A calorimetric-time-of-flight (CTOF) technique was used for real-time, high-precision measurement of neutron spectrum at the angle of 175 degrees from the initial proton beam direction, which hits a face plane of a cylindrical iron target of 20 cm in diameter and 25 cm thick. A comparison was performed between the neutron spectra predicted by the MARS and the MCNPX code systems and measured by experiments for 0.4-, 0.6-, 0.8-, 1.0-, and 1.2-GeV protons.

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We investigate the formation of nanostructures in 2D strained alloys on face centered cubic (111) surfaces by means of equilibrium Monte Carlo simulations. In the framework of an off-lattice model, we consider one monolayer of two bulk-immiscible adsorbates A and B with negative and positive misfit relative to the substrate, respectively. Simulations show that the adsorbates partly self-organize into island or stripe-like patterns. We show how these structures depend on the relative misfits, interaction, and concentration of components. The morphology is quite different for phase separation and intermixing regimes.

Energy Technology Data Exchange (ETDEWEB)

An algorithm is proposed which treats the ECH generated potential in a self-consistent way, by extending the Monte-Carlo Fokker-Planck method used by Murakami [S. Murakami et al., Proc. 17th IAEA Fusion Energy Conference, Yokohama, 1998 (International Atomic Energy Agency, Vienna, in press), paper CN-69/TH2/1]. The additional physics is expected to influence the transport of both thermal and suprathermal electrons in a helical toroidal system. (author)

CERN Document Server

By using a model independent Monte Carlo approach, we study the possible structure of charged and neutral lepton mass matrices, under the assumption of an U(2) horizontal symmetry (additional to the usual Standard Model ones) involving the light fermion generations. We assume the most general Majorana mass matrix for neutrinos. We update the results of our previous similar study, by inserting in the analysis the recent KamLAND data, that contributed to find a final solution to the Solar neutrino problem. The introduction of the new experimental data reduce the allowed regions in the nine dimensional space parameters, and show that our procedure gives stable solutions.

Energy Technology Data Exchange (ETDEWEB)

An accelerator experiment was performed using a low-energy antiproton beam to measure antiproton detection efficiency of BESS, a balloon-borne spectrometer with a superconducting solenoid. Measured efficiencies showed good agreement with calculated ones derived from the BESS Monte Carlo simulation based on GEANT/GHEISHA. With detailed verification of the BESS simulation, the relative systematic error of detection efficiency derived from the BESS simulation has been determined to be {+-}5%, compared with the previous estimation of {+-}15% which was the dominant uncertainty for measurements of cosmic-ray antiproton flux.

CERN Document Server

multi-parton interactions and underlying event structure, $\\gamma$-mediated processes and luminosity determination, Monte Carlo tuning and even MSSM Higgs discovery in central exclusive production. In this article, the forward detector instrumentation around the CMS interaction point is described and the prospects for diffractive and forward physics using the CMS forward detectors are summarized. In addition, first observation of forward jets as well as early measurements of the forward energy flow in the pseudorapidity range $3.15

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A neutron collimator system is being designed as part of a neutron imaging facility for computed tomography and real-time neutron radiography research at the through beam port of the University of Texas TRIGA reactor. Lack of sufficient information about collimator systems in a through port from the literature necessitated the use of Monte Carlo calculations using the MCNP code 3 to search for optimal design configuration and materials that maximize the thermal neutron intensity at the image plane while minimizing the fast neutrons and gamma radiation.

International Nuclear Information System (INIS)

Continuum events represent an eminent source of background in any e+e- experiment. As these have a higher branching ratio than BB-bar events (at BaBar this ratio is estimated to about 3.5) or ?+?- events, efficient continuum background suppression is essential in many analyses. Using Artificial Neural Networks and the Nearest Neighbor Method we developed several selectors which, based only on the global event shape variables, efficiently tag BB-bar events and ?+?- events against the continuum background. These selectors could then be combined with the channel specific information in various types of analyses. The study was done using a parametric Monte Carlo.

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 planning system and the TMS Pencil Beam ...

International Nuclear Information System (INIS)

This handbook breaks down the complex field of nuclear reactor calculations into major steps. Each step presents a detailed analysis of the problems to be solved, the parameters involved, and the elaborate computer programs developed to perform the calculations. This book bridges the gap between nuclear reactor theory and the implementation of that theory, including the problems to be encountered and the level of confidence that should be given to the methods described. Volume II: Monte Carlo Calculations for Nuclear Reactors. In-Core Management of Four Reactor Types. In-Core Management in CANDU-PHW Reactors. Reactor Dynamics. The Theory of Neutron Leakage in Reactor Lattices. Index.

Energy Technology Data Exchange (ETDEWEB)

An accelerator beam experiment was performed using a low-energy antiproton beam to measure antiproton detection efficiency of the BESS detector. Measured and calculated efficiencies derived from the BESS Monte Carlo simulation based on GRANT/GHEISHA showed good agreement. With detailed verification of the BESS simulation, the relative systematic error of detection efficiency derived from the BESS simulation has been determined to be {+-}5%, compared with the previous estimation of {+-}15% which was the dominant uncertainty for measurements of cosmic-ray antiproton flux. (author)

Energy Technology Data Exchange (ETDEWEB)

Between December 2001 and May 2004, a ventilation experiment (VE) was performed in the Mont Terri Underground Research Laboratory (URL) and co-financed by the Commission of the European Communities. The objective was to investigate the desaturation of consolidated clay formations in consequence of the ventilation of underground openings of a repository in such a formation. The results of the geoelectric measurements performed in the second phase of the Mont Terri ventilation test can be summarized as follows: Geoelectric tomography has been found suitable for monitoring ventilation-induced saturation changes in the Opalinus clay. During ventilation with dry air a desaturation down to below 50% could be detected in both desaturation cycles. The desaturated zone extends less than 0.5 m into the rock around the microtunnel. During the second resaturation phase, ventilation with humid air led to quick resaturation at the tunnel surface, while ...

International Nuclear Information System (INIS)

For the Convolution, Superposition and Monte Carlo methods, energy spectrum data is an essential parameter. Especially, by using Monte Carlo method, if the adequate properties of electrons are set, complex energy spectrum data can be calculated by simple input. However, adjustment of the property of electrons incident on the target of linear accelerator is time-consuming procedure. To cover the difference of many accelerators, it is important how we obtain accurate energy spectrum by simple methods. Especially, the total accuracy of dose calculation depends on the agreement of measured and calculated percentage depth dose (PDD) and off-axis ratio (OAR). Thus, a simple method for the determination of the simulation parameters was considered. To reduce the adjustment procedure, we selected values of important three parameters, which were the mean energy of the input electron beam, the energy distribution of the input electron beam and the radial ...

International Nuclear Information System (INIS)

Brachytherapy refers to short distance treatment of cancer with radiation from small, encapsulated radionuclide sources. This type of treatment is given by placing sources directly into or near the volume to be treated. The dose is then delivered continuously, either over a short period of time (temporary implants) or over the lifetime of the source to a complete decay (permanent implants). This technique is extensively used in the treatments of gynecological, breast, prostate, head and neck, and other soft tissue cancers. The clinical outcomes of this treatment depend on accurate dosimetry and dose delivery. The patient is generally considered to be water equivalent. So the treatment planning system software generally is based on measured or calculated dose distributions in homogenous water medium. In real situation, the treatment volume is not homogenous water medium, but it is a heterogeneous medium consisting of bone, soft tissue, lung, air etc. For better understanding we present ...

Energy Technology Data Exchange (ETDEWEB)

For Monte Carlo simulations to be used as an alternative solution to perform scatter correction, accurate modelling of the scanner as well as speed is paramount. General-purpose Monte Carlo packages (Geant4, EGS, MCNP) allow a detailed description of the scanner but are not efficient at simulating voxel-based geometries (patient images). On the other hand, dedicated codes (SimSET, PETSIM) will perform well for voxel-based objects but will be poor in their capacity of simulating complex geometries such as a PET scanner. The approach adopted in this work was to couple a dedicated code (SimSET) with a general-purpose package (Geant4) to have the efficiency of the former and the capabilities of the latter. The combined SimSET+Geant4 code (SimG4) was assessed on the GE Advance PET scanner and compared to the use of SimSET only. A better description of the resolution and sensitivity of the scanner and of the scatter fraction was obtained with SimG4. ...

Energy Technology Data Exchange (ETDEWEB)

This report is composed of the following two parts and appendix. (I) Improvement of the Method for Evaluating Reactivity Based on Monte Carlo Perturbation Theory: Theoretical formulation in Monte Carlo perturbation method had been checked, and then introduced into a calculation code. There are some cases that the results of the change of eigenvalues becomes positive or negative by changing the estimator, and there is no reasonable difference in the results between the conventional method, which does not consider the change of neutron source distribution caused by a perturbation, and the new method, which consider that change. Thus it is still necessary to check the Monte Carlo perturbation code. (II) Improvement of Nodal Transport Method for 3-D Hexagonal Geometry: We can accurately evaluate hexagonal geometry FBR core by nodal transport calculation code for hexagonal-Z geometry named `NSHEX`. However it is also found that ...

Energy Technology Data Exchange (ETDEWEB)

In the field of reactor and fuel cycle physics, particle transport plays and important role. Neutronic design, operation and evaluation calculations of nuclear system make use of large and powerful computer codes. However, current limitations in terms of computer resources make it necessary to introduce simplifications and approximations in order to keep calculation time and cost within reasonable limits. Two different types of methods are available in these codes. The first one is the deterministic method, which is applicable in most practical cases but requires approximations. The other method is the Monte Carlo method, which does not make these approximations but which generally requires exceedingly long running times. The main motivation of this work is to investigate the possibility of a combined use of the two methods in such a way as to retain their advantages while avoiding their drawbacks. Our work has mainly focused on the speed-up of 3-D continuous ...

Science.gov (United States)

In this paper, we studied vapor-liquid equilibria (VLE) and adsorption of ethylene on graphitized thermal carbon black and in slit pores whose walls are composed of graphene layers. Simple models of a one-center Lennard-Jones (LJ) potential and a two-center united atom (UA)-LJ potential are investigated to study the impact of the choice of potential models in the description of VLE and adsorption behavior. Here, we used a Monte Carlo simulation method with grand canonical Monte Carlo (GCMC) and Gibbs ensemble Monte Carlo ensembles. The one-center potential model cannot describe adequately the VLE over the practical range of temperature from the triple point to the critical point. On the other hand, the two-center potential model (Wick et al. J. Phys. Chem. B 2000, 104, 8008-8016) performs well in the description of VLE (saturated vapor and liquid densities and vapor pressure) over the wide range of temperature. This UA-LJ ...

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 following set of clinically ...

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Radioisotopes of Pb(II) have been of some interest in radioimmunotherapy and radioimmunoimaging (RII). However, the absence of a kinetically stable bifunctional chelating agent for Pb(II) has hampered its use for these applications. {sup 203}Pb (T{sub 1/2}=52.02 h) has application potential in RII, with a {gamma}-emission that is ideal for single photon emission computerized tomography, whereas {sup 212}Pb (T{sub 1/2}=10 h) is a source of highly cytotoxic {alpha}-particles via its decay to its {sup 212}Bi (T{sub 1/2}=60 min) daughter. The synthesis of the novel bifunctional chelating agent 2-(4-isothiocyanotobenzyl)-1,4,7,10-tetraaza-1,4,7,10-tetra-(2-carbamoyl methyl)-cyclododecane (4-NCS-Bz-TCMC) is reported herein. The Pb[TCMC]{sup 2+} complex was less labile to metal ion release than Pb[DOTA]{sup 2-} at pH 3.5 and below in isotopic exchange experiments. In addition to increased stability to Pb{sup 2+} ion release at low pH, the bifunctional TCMC ligand was found to have many other ...

International Nuclear Information System (INIS)

Adduct formation between U(TTA)_4 and several neutral donor (S) was investigated by utilizing the changes in the absorption spectra of U(IV) resulting from the addition of neutral donors to a solution of U(TTA)_4. All the donors used in the present work from 1:1 adducts with U(TTA)_4. From the spectral changes, the equilibrium constants #beta#sub(AB) for the adduct formation reaction viz U(TTA)_4 S reversible U(TTA)_4.S were calculated for a few neutral donors. The log #beta#sub(AB) values obtained in benzene medium, are :TOPO (6.23), TBPO (6.13), TPPO (4.72), DBBP(4.04) TBP(3.04), TIOTP(1.27) and MIBK(-0.10) and a value of 3.98 for TOPO in chloroform medium. The adduct formation was found to result in increasing the coordination number of U(IV) from 8 in U(TTA)_4 to 9 in the adducts it forms with the neutral donors. Similar absorption spectral studies with U(DBM)_4 revealed that it forms much weaker adducts than the corresponding ones with ...

Science.gov (United States)

In 1999, RECONS (Research Consortium on Nearby Stars) began gathering astrometric data using the CTIO 0.9m under the auspices of the NOAO Surveys Program. In 2003, SMARTS began operating the 0.9m and the program continued, with an enhanced ability to acquire long-term astrometric series on the nearest stars. With over a decade of milli-arcsecond astrometry for hundreds of red dwarfs within 25 pc, we now have a rich dataset in which to search for previously unknown stellar, substellar, and planetary companions. We can also use our data to better constrain the orbits of known binaries to reduce their mass errors to less than a few percent, and consequently test astrophysical models as never before. Here we present our orbit fitting analysis of M dwarfs that show clear evidence of gravitational perturbations due to unseen companions, after solving for their proper motion and parallax signals. We show discoveries such as LHS 3738AB, found for the first time to have a ...

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Cancer is a severe threat to human health. Early detection is considered the best way to increase the chance for survival. While the traditional cancer detection method, biopsy, is invasive, noninvasive optical diagnostic techniques are revolutionizing the way that cancer is diagnosed. Reflectance spectroscopy is one of these optical spectroscopy techniques showing promise as a diagnostic tool for pre-cancer detection. When a neoplasia occurs in tissue, morphologic and biochemical changes happen in the tissue, which in turn results in the change of optical properties and reflectance spectroscopy. Therefore, a pre-cancer can be detected by extracting optical properties from reflectance spectroscopy. This dissertation described the construction of a fiberoptic based reflectance system and the development of a series of modeling studies. This research is aimed at establishing an improved understanding of the optical properties of mucosal tissues by analyzing reflectance signals at ...

International Nuclear Information System (INIS)

A numerical and experimental investigation is carried out in a solar thermochemical reactor for the thermal dissociation of ZnO at 2000 K using concentrated solar energy. The reactor consists of a cavity-receiver lined with ZnO particles and directly exposed to high-flux irradiation. A transient heat transfer model is formulated to link the rate of radiation, convection, and conduction heat transfer to the reaction kinetics. The radiosity and Monte Carlo methods are applied to obtain the distribution of net radiative fluxes at the internal surfaces of the reactor cavity and at the surface of the ZnO bed. Validation is accomplished in terms of the calculated and measured transient temperature profiles and chemical reaction rates.

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A large database (507 station-years) of daily suspended particulate matter (SPM) concentration and discharge data from 36 stations on river basins ranging from 600?km2 to 600,000?km2 in size (USA and Europe) was collected to assess the effects of SPM transport regime on bias and imprecision of flux estimates when using infrequent surveys and the discharge-weighted mean concentration method. By extracting individual SPM concentrations and corresponding discharge values from the database, sampling frequencies from 12 to 200 per year were simulated using Monte Carlo techniques. The resulting estimates of yearly SPM fluxes were compared to reference fluxes derived from the complete database. For each station and given frequency, bias was measured by the median of relative errors between estima...

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The effects of pore curvature and surface heterogeneity on the adsorption of water on a graphitic surface at 298 K were investigated using a Grand Canonical Monte Carlo (GCMC) simulation. Slit and cylindrical pores are used to study the curvature effects. To investigate the surface heterogeneity the functional group and the structural defect on the surface were specifically considered. The hydroxyl group (OH) is used as a model for the functional group and the water potential model proposed by Muller et al. is used to calculate the water interaction. For the homogeneous cylinder, the pore filling occurs at a pressure lower than the saturation pressure of the water model, while it is greater in the case of homogeneous slit pore. The size of hysteresis loop is more sensitive to the length of...

Science.gov (United States)

The integrity and safety of beam-like structures are dependent in part on their boundary conditions which can vary with time due to damage or aging. Structural health monitoring of such structures should therefore include attention to boundary conditions. Where the boundary conditions can be represented by a lumped spring then the identification of associated stiffness parameter values may be a means to quantifying the integrity of the support. This paper investigates such a method for identifying the equivalent translational and rotational stiffness of a constrained tapered beam-like structure. An analytical model of a beam of tapered width and thickness is adopted as a simplified representation of a tower-like structure. The model is used to explore in what scenarios natural frequencies and/or nodal points might be sufficiently sensitive to changes in support conditions to be measurable indicators of damage. The method is evaluated by Monte Carlo simulations for ...

CERN Document Server

We study spectroscopically determined iron abundances of 642 solar-type stars to search for the signature of accreted iron-rich material. We find that the metallicity [Fe/H] of a subset of 466 main sequence stars, when plotted as a function of stellar mass, mimics the pattern seen in lithium abundances in open clusters. Using Monte Carlo models we find that, on average, these stars have accreted about 0.4 Earth masses of iron while on the main sequence. A much smaller sample of 19 stars in the Hertzsprung gap, which are slightly evolved and whose convection zones are significantly more massive, have lower average [Fe/H], and their metallicity shows no clear variation with stellar mass. These findings suggest that terrestrial-type material is common around solar type stars.

International Nuclear Information System (INIS)

The difficulty and unstability of the parameter estimation of mass action model for radioimmunoassay are the major obstacles to its application in routine work. A unique robust curve fitting method for the mass action model was introduced. large numbers of simulated data were generated with Monte Carlo method to compare the accuracy and robustness of the robust fitting and the least squre fitting (Marquardt method) of the mass action model. The results demonstrated that the new robusst method significantly increased the accuracy and reliability of data processing with the mass action model. It also markedly reduced the influence of outliers in the fitting of RIA data, and it was always 'convergent'. This robust method could also be applied to other mathematical models which can be transformed into high degree equations and no initial estimates are needed for curve fitting.

Energy Technology Data Exchange (ETDEWEB)

New values of the factors required to convert the reading of a radiation dosemeter calibrated in terms of air kerma (or exposure) into absorbed dose to water for medium-energy x-radiation were given in a code of practice published by the International Atomic Energy Agency in 1987. These are not considered to possess sufficient support from other sources. It is therefore recommended that the F-factors given or codes of practice should continue to be used. Values of backscatter factors for low-energy x-radiation (below 140 kV) in Supplement 17 of the British Journal of Radiology appear to be inaccurate. New values based on Monte Carlo calculations, and supported by new experimental data, are given for use in radiotherapy. (author).

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The present authors have previously developed a new method for Probabilistic Fracture Mechanics (PFM), which they call Recursive Distribution (RD) method. The method is based on the construction of the Lebesgue-Stieltjes measure through a deterministic mapping defining a crack growth process. In the present paper, its theoretical background is first discussed, and the Lebesgue decomposition of the measure is given. Then a numerical example of a Light Water Reactor (LWR)`s piping problem is solved by the present method, and the results are compared with those of the Monte Carlo (MC) method. In addition to leakage probability, a variation in stress cycles of the marginal distribution of an aspect ratio of a semi-elliptical surface crack is calculated, which will be used in a study on LBB evaluation.

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The Front End Enclosure (FEE) of the Linac Coherent Light Source (LCLS) is a shielding housing located between the electron dump area and the first experimental hutch. The upstream part of the FEE hosts the commissioning diagnostics for the FEL beam. In the downstream part of the FEE, two sets of grazing incidence mirror and several collimators are used to direct the beam to one of the experimental stations and reduce the bremsstrahlung background and the hard component of the spontaneous radiation spectrum. This paper addresses the beam loss assumptions and radiation sources entering the FEE used for the design of the FEE shielding using the Monte-Carlo code FLUKA. The beam containment system prevents abnormal levels of radiations inside the FEE and ensures that the beam remains in its intended path is also described.

CERN Document Server

We report on the implementation of an interface between the SANC generator framework for Drell-Yan hard processes, which includes next-to-leading order electroweak (NLO EW) corrections, and the Herwig++ and Pythia8 QCD parton shower Monte Carlos. A special aspect of this implementation is that the initial-state shower evolution in both shower generators has been augmented to handle the case of an incoming photon-in-a-proton, diagrams for which appear at the NLO EW level. The difference between shower algorithms leads to residual differences in the relative corrections of 2-3% in the p_T(mu) distributions at p_T(mu)>~50 GeV (where the NLO EW correction itself is of order 10%).

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Drug particle size distribution has a profound impact to the content uniformity in low-dose solid drug products. We derived theoretically the skewness of potency distribution as a function of particle size distribution and target dose. It was demonstrated that both skewness and coefficient of variation diverge simultaneously with inverse square root of the target dose. This scaling relation was observed in recent experiment and was verified by Monte Carlo (MC) simulation, which was employed for the first time to solve for the full potency distribution from a random retrieving model. When tested against the criteria from USP uniformity of dosage units, MC simulation showed a striking anisotropic distribution of the data. This suggests a full-scale consideration of the potency distribu...

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To establish the phylogeographic relationships in rabies viruses in Brazil, we studied a dataset retrieved from GenBank consisting of 71 genetic sequences from the coding region of the N gene of rabies viruses isolated in dogs over a period of 22?years. The Bayesian Markov chain Monte Carlo method available in the BEAST package was used with the GTR+G+?4 evolutionary model in conjunction with the relaxed uncorrelated lognormal molecular clock model and an exponential growth tree prior. A discrete phylogeographic diffusion model was also analyzed using a standard continuous-time Markov chain viewed with Google Earth to provide a spatial projection of the diffusion of genetic lineages based on their phylogeographic relationships. The topology of the time and substitution phylogenetic trees a...

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Using a Markov Chain Monte Carlo optimization algorithm and a computer simulation, I find the passenger ordering which minimizes the time required to board the passengers onto an airplane. The model that I employ assumes that the time that a passenger requires to load his or her luggage is the dominant contribution to the time needed to completely fill the aircraft. The optimal boarding strategy may reduce the time required to board and airplane by over a factor of four and possibly more depending upon the dimensions of the aircraft. I explore some features of the optimal boarding method and discuss practical modifications to the optimal. Finally, I mention some of the benefits that could come from implementing an improved passenger boarding scheme.

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A thermal neutron imaging facility for real-time neutron radiography and computed tomography has recently been developed at the University of Texas TRIGA reactor. Extensive Monte Carlo design calculations were used to determine optimal design parameters of the neutron collimator system to avoid costly trial and error. Thermal neutron flux determined by gold foil activation is 5 {times} 10{sup 6} n/cm{sup 2}{center_dot}s at the primary imaging location with beam size of 22.5 cm in diameter. The collimation ratio can be varied from 125 to 235. The neutron-to-gamma ratio is 7.8 {times} 10{sup 6} n/cm{sup 2}{center_dot}mR. The facility has been tested for radiography and tomography applications and is now fully operational.

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This paper aims to provide a comprehensive review of the various models or simulations for predicting drug release from bulk-degrading systems. A brief description of bulk degradation processes and factors affecting the degradation rate, and consequently the release kinetics, is presented first. Next, several important classical models, often used as the basis for subsequent model development, are discussed. Both mathematical models and Monte-Carlo based simulations have been developed for controlled release from bulk-degrading systems. The mathematical models can be further subdivided into two categories. First, the diffusion-based models whose transport mechanism is mainly governed by diffusion, but with degradation-dependent diffusion coefficients. These are generally simpler and easier...

International Nuclear Information System (INIS)

A successful boron neutron capture treatment (BNCT) of a patient with multiple liver metastases has been first given in Italy, by placing the removed organ into the thermal neutron column of the Triga research reactor of the University of Pavia. In Finland, FiR 1 Triga reactor with an epithermal neutron beam well suited for BNCT has been extensively used to irradiate patients with brain tumors such as glioblastoma and recently also head and neck tumors. In this work we have studied by MCNP Monte Carlo simulations, whether it would be beneficial to treat an isolated liver with epithermal neutrons instead of thermal ones. The results show, that the epithermal field penetrates deeper into the liver and creates a build-up distribution of the boron dose. Our results strongly encourage further studying of irradiation arrangement of an isolated liver with epithermal neutron fields.

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We consider low-energy nucleons at next-to-next-to-leading order in lattice chiral effective field theory. Three-body interactions first appear at this order, and we discuss several methods for determining three-body interaction coefficients on the lattice. We compute the energy of the triton and low-energy neutron-deuteron scattering phase shifts in the spin-doublet and spin-quartet channels using Luescher's finite-volume method. In the four-nucleon system we calculate the energy of the {alpha}-particle using auxiliary fields and projection Monte Carlo. (orig.)

International Nuclear Information System (INIS)

The Monte-Carlo transport code MCNP was used to evaluate possible arrangements of cores for the MIT Reactor using monolithic LEU fuel. Plate and moderator thicknesses were varied, and fixed absorbers and inner reflectors added in an effort to maximize available neutron fluxes at in-core and ex-core locations of experimental facilities. Addition of D_2O in the H_2O moderator was also evaluated. Comparisons of the fast, epithermal, and thermal fluxes were made at selected locations. Keff was also evaluated and critical blade heights compared with the existing HEU core. Results indicate that the LEU fluxes could approach HEU values with the use of a fueled in-core experimental facility, a fixed boron absorber spider and an inner beryllium reflector. (author)

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Purpose - Burr distribution has been proved to be a useful failure model. It can assume different shapes which allow it to be a good fit for various lifetimes data. Hybrid censoring is an important way of generating lifetimes data. The purpose of this paper is to estimate an unknown parameter of the Burr type XII distribution when data are hybrid censored. Design/methodology/approach - The problem is dealt with through both the classical and Bayesian point of view. Specifically, the methods of estimation used to tackle the problem are maximum likelihood estimation method and Bayesian method. Empirical Bayesian approach is also considered. The performance of all estimates is compared through their mean square error values. The paper employs Monte Carlo simulation to evaluate the mean square...

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In this paper, the effects of surface mediation on the adsorption isotherm and isosteric heat of adsorption on a graphite surface were investigated, as the surface mediation is known to affect the intermolecular interaction of adsorbed molecules close to the surface. Kim and Steele (Phys. Rev. B 45 (11) (1992) 6226-6233) and others have assumed that the surface mediation is confined only to the first layer. This will be tested in this paper with a combined experimental and Grand Canonical Monte Carlo (GCMC) simulation of adsorption of argon on graphitized thermal carbon black (GTCB) over a range of temperatures (77-95.25K). By matching the simulation results against the experimental data, we have found that the surface mediation is extended up to the fourth layer, rather than only the firs...

International Nuclear Information System (INIS)

Dissociative electron capture to CCl_4 is studied by measuring the angular and velocity distribution of Cl"- ions produced in collisions with velocity selected K(np) Rydberg atoms. Analysis of the data using a Monte Carlo collision code that models the detailed kinematics of the reaction indicates that the lifetime of the CCl_4"- intermediate formed by Rydberg electron capture is 7.5 #+-# 2.5 ps and that, upon dissociation, only a small fraction of the excess energy of reaction appears as translational energy of the Cl"- and CCl_3 fragments. The present approach is one of the few experimental techniques yet devised that can probe the lifetimes of collisionally-produced excited states on a picosecond timescale, and demonstrates that Rydberg atoms provide a unique tool with which to investigate the dynamics of dissociative electron attachment. Measurements are being extended to additional species, including CFCl_3.

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An essential part of fire risk assessment is the analysis of fire hazards and fire propagation. In this work, models and tools for two different aspects of numerical fire simulation have been developed. The primary objectives have been firstly to investigate the possibility of exploiting state-of-the-art fire models within probabilistic fire risk assessments and secondly to develop a computationally efficient solver of thermal radiation for the Fire Dynamics Simulator (FDS) code. In the first part of the work, an engineering tool for probabilistic fire risk assessment has been developed. The tool can be used to perform Monte Carlo simulations of fires and is called the Probabilistic Fire Simulator (PFS). In Monte Carlo simulation, the simulations are repeated multiple times, covering the whole range of variability of the input parameters and thus resulting in a distribution of results covering what can be expected in reality. In practical ...

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The spectrum of antiprotons from dark matter annihilation are calculated using the Lund Monte Carlo program, and simple analytic expressions for the spectrum and low-energy antiproton/proton ratio are derived. Comparing the results with recent upper limits on low energy antiprotons, it is concluded that the reported 4-13 GeV antiproton flux cannot be accounted for by dark matter annihilation. The new upper limits do not provide useful constraints on dark matter particles. They restrict the annihilation rate and imply that annihilation gamma ray and e(+) fluxes would be far below the fluxes produced by cosmic-ray collisions. It may be possible to look for a dark matter halo annihilation signal at antiprotons energies below 0.5 GeV, where the flux from cosmic-ray collisions is expected to be negligible. 32 references.

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Air toxics from the industrial wastewater treatment plants (IWTPs) impose serious health concerns on its surrounding residential neighborhoods. To address such health concerns, one of the key challenges is to quantify the air emissions from the IWTPs. The objective here is to characterize the air emissions from the IWTPs and quantify its associated uncertainty. An IWTP receiving the wastewaters from an airplane maintenance facility is used for illustration with focus on the quantification of air emissions for benzyl alcohol, phenol, methylene chloride, 2-butanone, and acetone. Two general fate models, i.e., WATER9 and TOXCHEM+V3.0 were used to model the IWTP and quantify the air emissions. Monte Carlo and Bootstrap simulation were used for uncertainty analysis. On average, air emissions fr...

International Nuclear Information System (INIS)

We present results of multiple-time-scale simulations of 5, 10 and 15 keV low temperature ion implantation of arsenic on silicon (100), followed by high temperature anneals. The simulations start with a molecular dynamics (MD) calculation of the primary state of damage after 10ps. The results are then coupled to a kinetic Monte Carlo (MC) simulation of bulk defect diffusion and clustering. Dose accumulation is achieved considering that at low temperatures the damage produced in the lattice is stable. After the desired dose is accumulated, the system is annealed at 800 degrees C for several seconds. The results provide information on the evolution for the damage microstructure over macroscopic length and time scales and affords direct comparison to experimental results. We discuss the database of inputs to the MC model and how it affects the diffusion process.

British Library Electronic Table of Contents (United Kingdom)

Most active pharmaceutical ingredients (API) exhibit particle size distributions with some degrees of asymmetry deviating from log-normality. A new log-skew-normal (L-S-N) distribution model is proposed for a systematic comparison of the asymmetry effect on content uniformity. The new model originated from the S-N model used by Azzalini gives a close approximation to real API particle size distribution. Monte-Carlo method was employed to simulate the dosage potency distribution. A high risk of over potency is uncovered when either the dose is low or API particle size distribution is positively skewed. This is due to the formation of pseudo heavy tail in potency distribution that decays slower than exponentially. Nomographs of API particle size versus dosage strength were constructed with a...

British Library Electronic Table of Contents (United Kingdom)

In this paper, the performance of customer-owned distributed generation (DG) units is quantified from different perspectives through an uncertainty study. A Monte Carlo-based method is applied to assess the stochastic operation of the customer-owned DG units in the power distribution system. Several cases are studied to analyze the impact on system performance of using such generators, with the emphasis on benefits. The results of the studied cases show that proper operation of customer-owned DG units placed close to significant consumption centers offers several benefits which lead to significant energy savings and improvement in the performance indices while maintaining the cost-effectiveness. Furthermore, based on the energy demand, different electricity price scenarios considering a co...

CERN Document Server

We calculate the energy spectra of cosmic rays (CR) and their secondaries produced in a supernova remnant (SNR), taking into account the time-dependence of the SNR shock. We model the trajectories of charged particles as a random walk with a prescribed diffusion coefficient, accelerating the particles at each shock crossing. Secondary production by CRs colliding with gas is included as a Monte Carlo process. We find that SNRs produce less antimatter than suggested previously: The positron/electron ratio and the antiproton/proton ratio are a few percent and few $\\times 10^{-5}$, respectively. Moreover, the obtained positron/electron ratio decreases with energy, while the antiproton/proton ratio rises at most by a factor of two above 10 GeV.

International Nuclear Information System (INIS)

This paper presents a trial of probabilistic simulation for performance assessment of high-level waste (HLW) disposal using the Monte Carlo method. Based on the Reference Case conceptual model in H12, a new integrated simulation system which allowed us to rapidly evaluate the effect of data uncertainty was developed. The doses to hypothetical exposure group were compared with the results of H12 that were performed by using a point-wise approach, in terms of maximum total dose. This study showed that H12 results were consistent with results of probabilistic simulation and also showed that transmissivity had a strong influence for the uncertainty of the system performance in all simulation time. (author)

Energy Technology Data Exchange (ETDEWEB)

A complete code based on the finite element method (FEM) is used to study the attenuation of gamma rays, of source energy 9 MeV, in simple homogeneous lead and water systems. The results are compared, in tables and graphs, with those produced by a Monte Carlo method of solution. In the comparison, particular attention is paid to the annihilation gamma rays generated by the pair production process, to energy deposition, and to the leakage spectra. A model, multilayer, slab shield, having a fission neutron source impinging on the left-hand face, is also solved by the FEM code, using data from a coupled neutron/gamma ray cross section library. The resulting neutron and gamma ray flux distributions, and the leakage spectra, are shown graphically. (author).

Energy Technology Data Exchange (ETDEWEB)

Mixed-convection phenomena can occur within liquid-dominated geothermal reservoirs due to interactions of injected flows, or ground-water flows, with the buoyancy-induced fluid motion. This problem was studied experimentally and numerically for the case of opposing flows about a vertical heat source in a liquid-saturated porous medium. The ratio of the Rayleigh number (Ra) to the Peclet number (Pe) was identified as the nondimensional parameter which characterizes the relative influence of buoyancy-driven to pressure-gradient-driven fluid motion. The transition from mixed to forced convection was numerically determined to be (Ra/Pe) approx. = -0.5, where the minus sign denotes superimposed downflow. Agreement between measured and predicted thermal-field results showed that the finite-element code of Gartling and Hickox (1982 a,b) can be used to model low-temperature (single-phase) geothermal reservoirs throughout the natural, mixed, and forced convection regimes. 9 ...

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The BMW four-cylinder two-valve engine was first launched in September 1987 as a 1.8 l engine and was described in detail in [1]. After initial optimisation for model year 94, four years later the engine has undergone a complete technical revision. From model year 98, the four-cylinder two-valve engine with appropriate exhaust emission technology will satisfy the EU3 class for exhaust emissions. (orig.) [Deutsch] Der BMW Vierzylinder-Zweiventilmotor wurde im September 1987 als 1,8-l-Motor erstmals vorgestellt und in [1] ausfuehrlich beschrieben. Nach einer ersten Optimierungsueberarbeitung zum Modelljahr 1994 wurde nun eine grundlegende technische Ueberarbeitung vorgenommen. Der Vierzylindermotor mit Zweiventiltechnik erfuellt als Antriebsaggregat in Verbindung mit einer entsprechenden Abgastechnik bereits ab Modelljahr 1998 die EU 3-Stufe fuer Abgasemissionen. (orig.)

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 energies only. The results ...

CERN Document Server

The origin of life and the origin of the universe represent two of the most important problems of science. Both are resolved by hydro-gravitational dynamics (HGD) cosmology (Gibson 1996, Schild 1996, Gibson 2009ab), which predicts frozen primordial hydrogen-helium gas planets in clumps as the dark matter of galaxies. Merging Earth-mass planets formed stars, moons and comets to incubate and cosmically seed the first life. Cometary panspermia (Hoyle and Wickramasinghe 1981, 1982; Wickramasinghe et al. 2009) occurs naturally by HGD mechanisms. Comets and moons are fragments from mergers of stardust covered frozen gas planets in their step-wise growth to star mass. Supernovae from stellar over-accretion of planets produce stardust (C, N, O, P etc.) chemical fertilizer. Planets collect this infected radioactive dust gravitationally, to provide liquid water domains in contact with life nutrients seeded with life prototypes. The first mutating, evolving, life from HGD ...

International Nuclear Information System (INIS)

The possibility of Pt-Cr surface alloys formation on Pt(0 0 1) was investigated and their magnetism was calculated by the full-potential linearized augmented plane wave (FLAPW) method with eight different atomic configurations. The most stable structure was calculated to be the Pt-segregated L1_2 ferromagnetic surface alloy. A_3B types (L1_2 or D0_2_2) were more stable compared to AB types (L1_0). It implies that the A_3B type surface alloys may be formed when depositing a monolayer of Cr on Pt(0 0 1). It was found from the total energy calculations that there exists a strong tendency of the Pt segregation. The segregation further stabilizes the surface alloy significantly. The work function of the most stable surface alloy was calculated to be 6.02 eV and the magnetic moment of the surface Cr was much enhanced to 3.3 #mu# _B. It is a quite interesting finding that the coupling between Cr and Pt atoms on the surface plane is ferromagnetic in the Pt-segregated L1_2 ...

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The aim was to investigate conditions relating to the substitution of natural gas for part of the amount of cinders previously used as fuel in an existing cupola furnace used in an iron foundry. The process of retrofitting is described. The principle solution is that four gas burners are placed symmetrically around the furnace immediately above the melting zone. They are mounted in separate fire boxes in such a way that they point downwards in order to prevent the fire box being filled with materials from the furnace, which would cause damage to the burners. The burners are continuously controlled to produce an output of 720 - 2620 kW and with 0.5 - 1.5 excess air. This solution was successful although it was found necessary (in order to achieve a satisfactory quality of resulting molten material) to add extra cinders to the furnace resulting in a reduction of only 9% of total cinders used, instead of the hoped-for 15%. The melting temperature was stabilized to ca. 1518 degrees ...

International Nuclear Information System (INIS)

Inner ring structures are observed in about one quarter of all lenticular or spiral galaxies. Statistics of the relative frequencies of the pure ring (r) and broken ring (rs) varieties in the Second Reference Catalogue (RC2) among the different families (A, AB, B) of lenticular (L) and spiral (S) galaxies at different stages (T) along the revised Hubble sequence are presented; selection effects dependent on classification weight, apparent diameter and axis ratio are discussed. Comparisons of ring diameters D/sub r/ listed in the (First) Reference Catalogue (RC1) with independent measurements of 43 barred systems by Kormendy show good systematic agreement with a standard deviation sigma_1_2(D/sub r/) = 0'.10 and individual relative mean errors sigma(D/sub r/)/ < D/sub r/ > approx. = 5%. Axis ratios are also in good agreement with sigma_1_2(b/a) = 0.06. Comparisons of axis ratios of rings and parent galaxies show systematic trends dependent on stage T; in ...

Energy Technology Data Exchange (ETDEWEB)

Under the new name of ``geothermal heat pump``, ground-source heat pumps are currently high in demand in Northern America. In sectors characterized by heating and cold air demand, their advantages can be exploited to the full. For Germany, the end-use-energy substitution potential of geothermal heat pumps has been estimated at 1310-1470 PJ annually. Whether this potential can actually be exploited depends essentially on the development of energy prices, but also on the resourcefulness of plant and heat pump manufacturers in upgrading and cheapening geothermal heat pumps. (orig./RHM) [Deutsch] Unter der neuen Bezeichnung `Geothermal Heat Pump` erlebt die erdgekoppelte Waermepumpe z.Zt. in Nordamerika einen Verbreitungsschub. In dem durch Heiz- und Kuehlbedarf charakterisierten Umfeld kann sie Ihre Vorteile voll nutzen. Fuer Deutschland kommt eine Schaetzung zu einem Potential der erdgekoppelten Waermepumpen zur Substition von Endenergie von 1310-1470 PJ/a. Ob dieses Potential ...

Energy Technology Data Exchange (ETDEWEB)

The document gives statistics on the pollutive emissions from Danish power plants during the period 1987-1996, the main pollutants being sulphur dioxide, nitrogen oxides and carbon dioxide. Data on efficiency levels relative to the production of electricity and heating and on the power plants` contribution to the total emission of CO{sub 2}, NO{sub x}, and SO{sub 2} from energy consumption in Denmark, are presented, and also as corrected for the net import of electricity. Other data on the emission of each of these chemicals by power plants are presented as factual, and corrected in accordance with the net import of electricity, and as factual per consumed and produced energy unit at the power plants. Short notes on related Danish legislation are found in addition to information on sources, methods and definitions used as a basis for the production of this document. Emission from power stations is dependent on their energy consumption which is in turn controlled by the demand for ...

Energy Technology Data Exchange (ETDEWEB)

The contribution is concerned from a legal point of view with the systematic recording, classification and assessment of specific problems concerning the post-operational phase of a nuclear power plant. As an introduction, present experience with decommissioning in the Federal Republic of Germany is dealt with. The first part treats the factual side of section 7 III AtG, explains the terms mentioned, the concrete extent of licensing and priority relations. In part 2 the preconditions for licensing pursuant to section 7 III AtG are dealt with, the stipulations of which are made difficult in particular on account of the reference in section 7 III sentence 2 AtG. The third part is concerned with the legal consequence of section III AtG, i.e. the extent of official discretionary powers, whereby aspects of radioactive waste management carry great weight. In part four administrative and procedural particularities in the legal sense relating to licensing according to section III AtG are ...

Energy Technology Data Exchange (ETDEWEB)

This richly illustrated toolbook and atlas contains information on all aspects of nmr diagnostic imaging of benign or malignant neoplasms of female and male mammary glands. It offers pinpointed guidance and insight for vocational training and continuing training of radiology assistants, students and medical radiologists. (orig./AJ) [German] Die MRT als hochaufloesendes und schaedigungsfreies Diagnostikum gewinnt gerade in der emotional stark besetzten Mammadiagnostik zunehmend an Bedeutung. Dennoch beherrschen nur wenige Zentren im deutschsprachigen Raum diese Technik, die - eine hohe Reproduzierbarkeit bei fehlender Belastung fuer die Patientin bietet, - invasive Karzinome bereits ab einer Groesse von 5 mm mit hoher Zuverlaessigkeit ausschliessen kann und - gerade bei widerspruechlichen Befunden zwischen klinischer Untersuchung, Roentgenmammographie und perkutaner Biopsie eine wesentliche Entscheidungshilfe bieten kann. Aus einem der fuehrenden Zentren in der ...

International Nuclear Information System (INIS)

Doping of manganese (Mn3+/Mn4+) into the Aurivillius phase Pb1-xBi4+xTi4-xMnxO15 was carried out using the molten salt technique for various Mn concentrations (x=0, 0.2, 0.4, 0.6, 0.8, and 1). Single phase samples could be obtained in the composition range with x up to 0.6 as confirmed by X-ray and neutron diffraction analysis. Dielectric measurements show a peak at 801, 803, 813 and 850 K for samples with x=0, 0.2, 0.4, and 0.6, respectively, related to the ferroelectric transition temperature (Tc). The main contribution of the in-plane polarization for x?0.2 which was calculated from the atomic positions obtained by the structure analysis is the dipole moment in the Ti(1)O6 layer; however, for x?0.4 the polarization originates from the dipole moment in the Ti(2)O6 layer. Mn doping in the Pb1-xBi4+xTi4-xMnxO15 does not show any long range magnetic ordering. -- Graphical abstract: The dipole moment of TiO6 dependence of x in Pb1-xBi4+xTi4-xMnxO15 (0?x?0.6): (a) along a-axis and (b) on ...

Energy Technology Data Exchange (ETDEWEB)

Within the framework of the EFTTRA cooperation between CEA, ECN, EDF, FZK, IAM and ITU, six metallic {sup 99}Tc rods have been irradiated in the Petten HFR for 193 effective full power days. During this irradiation, more than 6% of the {sup 99}Tc has been transmuted to the stable {sup 100}Ru. At ECN, one of the six rods has been examined in the hot cell laboratory. The ruthenium concentration in the rod measured by Isotope Dilution Mass Spectrometry reaches 6.4% at 5 mm from the bottom of the rod and 6.0% at 5 mm from the top. Also the axial and radial distributions of the ruthenium have been measured by Electron Probe Micro Analysis. The ruthenium concentrations calculated by the three-dimensional Monte Carlo code KENO reach 6.1% at 5 mm from the bottom of the rod and 5.7% at 5 mm from the top. These values are in reasonable agreement with the measured ones. However, the calculated radial distribution of the ruthenium concentration is not in agreement with the ...