Wave-packet propagation based calculation of above-threshold ionization in the x-ray regime
Tilley, Matthew; Santra, Robin
2015-01-01
We investigate the multi-photon process of above-threshold ionization for the light elements hydrogen, carbon, nitrogen and oxygen in the hard x-ray regime. Numerical challenges are discussed and by comparing Hartree-Fock-Slater calculations to configuration-interaction-singles results we justify the mean-field potential approach in this regime. We present a theoretical prediction of two-photon above-threshold-ionization cross sections for the mentioned elements. Moreover, we study how the importance of above-threshold ionization varies with intensity. We find that for carbon, at x-ray intensities around $10^{23}{\\rm Wcm}^{-2}$, two-photon above-threshold ionization of the K-shell electrons is as probable as one-photon ionization of the L-shell electrons.
Cosmic-ray propagation in molecular clouds
Padovani, Marco
2013-01-01
Cosmic-rays constitute the main ionising and heating agent in dense, starless, molecular cloud cores. We reexamine the physical quantities necessary to determine the cosmic-ray ionisation rate (especially the cosmic ray spectrum at E < 1 GeV and the ionisation cross sections), and calculate the ionisation rate as a function of the column density of molecular hydrogen. Available data support the existence of a low-energy component (below about 100 MeV) of cosmic-ray electrons or protons responsible for the ionisation of diffuse and dense clouds. We also compute the attenuation of the cosmic-ray flux rate in a cloud core taking into account magnetic focusing and magnetic mirroring, following the propagation of cosmic rays along flux tubes enclosing different amount of mass and mass-to-flux ratios. We find that mirroring always dominates over focusing, implying a reduction of the cosmic-ray ionisation rate by a factor of 3-4 depending on the position inside the core and the magnetisation of the core.
Propagation of aberrated wavefronts using a ray transfer matrix.
Raasch, Thomas W
2014-05-01
A ray transfer matrix is used to calculate the propagation of aberrated wavefronts across a homogeneous refractive index. The wavefront is represented by local surface normals, i.e., by a ray bundle, and the propagation is accomplished by transferring those rays across the space. Wavefront shape is generated from the slopes and positions of the collection of rays. Calculation methods are developed for the paraxial case, for higher-order expansions, and for the exact tangent case. A numerical example is used to compare results between an analytical method and the methods developed here.
Chaotic ray propagation in corrugated layers
M. Bottiglieri
2005-01-01
Full Text Available The aim of this paper is to study the effects of a corrugated wall on the behaviour of propagating rays. Different types of corrugation are considered, using different distributions of the corrugation heights: white Gaussian, power law, self-affine perturbation. In phase space, a prevalent chaotic behaviour of rays, and the presence of a lot of caustics, are observed. These results entail that the KAM theorem is not fulfilled.
Cosmic Ray Origin, Acceleration and Propagation
Baring, M G
1999-01-01
This paper summarizes highlights of the OG3.1, 3.2 and 3.3 sessions of the XXVIth International Cosmic Ray Conference in Salt Lake City, which were devoted to issues of origin/composition, acceleration and propagation.
Calculations of precursor propagation in dispersive dielectrics.
Bacon, Larry Donald
2003-08-01
The present study is a numerical investigation of the propagation of electromagnetic transients in dispersive media. It considers propagation in water using Debye and composite Rocard-Powles-Lorentz models for the complex permittivity. The study addresses this question: For practical transmitted spectra, does precursor propagation provide any features that can be used to advantage over conventional signal propagation in models of dispersive media of interest? A companion experimental study is currently in progress that will attempt to measure the effects studied here.
Cosmic ray propagation with CRPropa 3
Alves Batista, R.; Erdmann, M.; Evoli, C.; Kampert, K.-H.; Kuempel, D.; Mueller, G.; Sigl, G.; Van Vliet, A.; Walz, D.; Winchen, T.
2015-05-01
Solving the question of the origin of ultra-high energy cosmic rays (UHECRs) requires the development of detailed simulation tools in order to interpret the experimental data and draw conclusions on the UHECR universe. CRPropa is a public Monte Carlo code for the galactic and extragalactic propagation of cosmic ray nuclei above ∼ 1017 eV, as well as their photon and neutrino secondaries. In this contribution the new algorithms and features of CRPropa 3, the next major release, are presented. CRPropa 3 introduces time-dependent scenarios to include cosmic evolution in the presence of cosmic ray deflections in magnetic fields. The usage of high resolution magnetic fields is facilitated by shared memory parallelism, modulated fields and fields with heterogeneous resolution. Galactic propagation is enabled through the implementation of galactic magnetic field models, as well as an efficient forward propagation technique through transformation matrices. To make use of the large Python ecosystem in astrophysics CRPropa 3 can be steered and extended in Python.
GALPROP: modeling cosmic ray propagation and associated interstellar emissions
Moskalenko, Igor V
2011-01-01
Research in many areas of modern physics and astrophysics such as, e.g., indirect searches for dark matter (DM), particle acceleration in SNR shocks, and the spectrum and origin of extragalactic gamma-ray background, rely heavily on studies of cosmic rays (CRs) and associated diffuse emissions. New or improved instrumentation to explore these open issues is ready or under development. A fleet of ground-based, balloon-borne, and spacecraft instruments measures many CR species, gamma rays, radio, and synchrotron emission. Exploiting the data collected by the scientific missions to the fullest requires reliable and detailed calculations using a numerical model. GALPROP is the current state-of-the-art numerical CR propagation code that has become a standard analysis tool in CR and diffuse gamma-ray research. It uses astrophysical information, nuclear and particle data as input to self-consistently predict CRs, gamma rays, synchrotron emission and other observables. This paper reviews recent GALPROP developments a...
Calculation of sound propagation in fibrous materials
Tarnow, Viggo
1996-01-01
Calculations of attenuation and velocity of audible sound waves in glass wools are presented. The calculations use only the diameters of fibres and the mass density of glass wools as parameters. The calculations are compared with measurements.......Calculations of attenuation and velocity of audible sound waves in glass wools are presented. The calculations use only the diameters of fibres and the mass density of glass wools as parameters. The calculations are compared with measurements....
Propagation and Signatures of Ultra High Energy Cosmic Rays
Berezinsky, Vladimir; Grigorieva, S
2004-01-01
We study the extragalactic protons with universal spectrum, which is independent of mode of propagation, when distance between sources is less than the propagation lengths, such as energy attenuation length or diffusion length (for propagation in magnetic fields). The propagation features in this spectrum, the GZK cutoff, dip and bump, are studied with help of modification factor, which weakly depends on the generation spectrum index $\\gamma_g$. We argue that from the above features the dip is the most model-independent one. For the power-law generation spectrum with $\\gamma_g=2.7$ the dip is very well confirmed by the data of all existing detectors, which gives the strong evidence for extragalactic protons propagating through CMB. We develop the AGN model for origin of UHECR, which successfully explains the observed spectra up to $1\\times 10^{20}$ eV and transition from galactic to extragalactic cosmic rays. The calculated spectrum has the GZK cutoff, and the AGASA excess of events at $E \\gsim 1\\times 10^{20...
Towards a complete propagation uncertainties in depletion calculations
Martinez, J.S. [Universidad Politecnica de Madrid (Spain). Dept. of Nuclear Engineering; Gesellschaft fuer Anlagen- und Reaktorsicherheit mbH (GRS), Garching (Germany); Zwermann, W.; Gallner, L.; Puente-Espel, Federico; Velkov, K.; Hannstein, V. [Gesellschaft fuer Anlagen- und Reaktorsicherheit mbH (GRS), Garching (Germany); Cabellos, O. [Universidad Politecnica de Madrid (Spain). Dept. of Nuclear Engineering
2013-07-01
Propagation of nuclear data uncertainties to calculated values is interesting for design purposes and libraries evaluation. XSUSA, developed at GRS, propagates cross section uncertainties to nuclear calculations. In depletion simulations, fission yields and decay data are also involved and are a possible source of uncertainty that should be taken into account. We have developed tools to generate varied fission yields and decay libraries and to propagate uncertainties through depletion in order to complete the XSUSA uncertainty assessment capabilities. A generic test to probe the methodology is defined and discussed. (orig.)
Solar Cosmic Ray Acceleration and Propagation
Podgorny, I. M.; Podgorny, A. I.
2016-05-01
The GOES data for emission of flare protons with the energies of 10 - 100 MeV are analyzed. Proton fluxes of ~1032 accelerated particles take place at the current sheet decay. Proton acceleration in a flare occurs along a singular line of the current sheet by the Lorentz electric field, as in the pinch gas discharge. The duration of proton flux measured on the Earth orbit is by 2 - 3 orders of magnitude longer than the duration of flares. The high energy proton flux from the flares that appear on the western part of the solar disk arrives to Earth with the time of flight. These particles propagate along magnetic lines of the Archimedes spiral connecting the flare with the Earth. Protons from the flare on the eastern part of the solar disk begin to register with a delay of several hours. Such particles cannot get on the magnetic field line connecting the flare with the Earth. These protons reach the Earth, moving across the interplanetary magnetic field. The particles captured by the magnetic field in the solar wind are transported with solar wind and due to diffusion across the magnetic field. The patterns of solar cosmic rays generation demonstrated in this paper are not always observed in the small ('1 cm-2 s-1 ster-1) proton events.
Galactic cosmic ray propagation models using Picard
Kissmann, Ralf; Strong, Andrew W
2015-01-01
We present results obtained from our newly developed Galactic cosmic-ray transport code PICARD, that solves the cosmic-ray transport equation. This code allows for the computation of cosmic-ray spectra and the resulting gamma-ray emission. Relying on contemporary numerical solvers allows for efficient computation of models with deca-parsec resolution. PICARD can handle locally anisotropic spatial diffusion acknowledging a full diffusion tensor. We used this framework to investigate the transition from axisymmetric to spiral-arm cosmic-ray source distributions. Wherever possible we compare model predictions with constraining observables in cosmic-ray astrophysics.
Calculating four-loop massless propagators with Forcer
Ueda, T.; Ruijl, B.; Vermaseren, J. A. M.
2016-10-01
We present Forcer, a new FORM program for the calculation of four-loop massless propagators. The basic framework is similar to that of the Mincer program for three-loop massless propagators: the program reduces Feynman integrals to a set of master integrals in a parametric way. To overcome an ineludible complexity of the program structure at the four-loop level, most of the code was automatically generated or made with computer-assisted derivations. Correctness of the program has been checked with the recomputation of some quantities in the literature.
Baltser, Jana; Bergbäck Knudsen, Erik; Vickery, Anette
2011-01-01
of X-ray beamline designs for particular user experiments. In this work we used the newly developed McXtrace ray-tracing package and the SRW wave-optics code to simulate the beam propagation of X-ray undulator radiation through such a "transfocator" as implemented at ID- 11 at ESRF. By applying two...
Cosmic ray propagation and interactions in the Galaxy
Zirakashvili, V N
2014-01-01
Cosmic ray propagation in the Galaxy is shortly reviewed. In particular we consider the self-consistent models of CR propagation. In these models CR streaming instability driven by CR anisotropy results in the Alfv\\'enic turbulence which in turn determines the scattering and diffusion of particles.
Direct Measurements, Acceleration and Propagation of Cosmic Rays
Blasi, Pasquale
2008-01-01
This paper summarizes highlights of the OG1 session of the 30th International Cosmic Ray Conference, held in Merida (Yucatan, Mexico). The subsessions (OG1.1, OG1.2, OG1.3, OG1.4 and OG1.5) summarized here were mainly devoted to direct measurements, acceleration and propagation of cosmic rays.
Short-Pulsed Wavepacket Propagation in Ray-Chaotic Enclosures
Castaldi, Giuseppe; Pinto, Innocenzo M
2011-01-01
Wave propagation in ray-chaotic scenarios, characterized by exponential sensitivity to ray-launching conditions, is a topic of significant interest, with deep phenomenological implications and important applications, ranging from optical components and devices to time-reversal focusing/sensing schemes. Against a background of available results that are largely focused on the time-harmonic regime, we deal here with short-pulsed wavepacket propagation in a ray-chaotic enclosure. For this regime, we propose a rigorous analytical framework based on a short-pulsed random-plane-wave statistical representation, and check its predictions against the results from finite-difference-time-domain numerical simulations.
Cosmic-ray Propagation and Interactions in the Galaxy
Strong, Andrew W.; /Garching, Max Planck Inst., MPE; Moskalenko, Igor V.; /Stanford U., HEPL /KIPAC, Menlo Park; Ptuskin, Vladimir S.; /Troitsk, IZMIRAN
2007-01-22
We survey the theory and experimental tests for the propagation of cosmic rays in the Galaxy up to energies of 10{sup 15} eV. A guide to the previous reviews and essential literature is given, followed by an exposition of basic principles. The basic ideas of cosmic-ray propagation are described, and the physical origin of its processes are explained. The various techniques for computing the observational consequences of the theory are described and contrasted. These include analytical and numerical techniques. We present the comparison of models with data including direct and indirect--especially gamma-ray--observations, and indicate what we can learn about cosmic-ray propagation. Some particular important topics including electrons and antiparticles are chosen for discussion.
Cosmic-ray Acceleration and Propagation
Caprioli, Damiano
2015-01-01
The origin of cosmic rays (CRs) has puzzled scientists since the pioneering discovery by Victor Hess in 1912. In the last decade, however, modern supercomputers have opened a new window on the processes regulating astrophysical collisionless plasmas, allowing the study of CR acceleration via first-principles kinetic simulations. At the same time, a new-generation of X-ray and $\\gamma$-ray telescopes has been collecting evidence that Galactic CRs are accelerated in the blast waves of supernova remnants (SNRs). I present state-of-the-art particle-in-cells simulations of non-relativistic shocks, in which ion and electron acceleration efficiency and magnetic field amplification are studied in detail as a function of the shock parameters. I then discuss the theoretical and observational counterparts of these findings, comparing them with predictions of diffusive shock acceleration theory and with multi-wavelength observations of young SNRs. I especially outline some major open questions, such as the possible cause...
Extragalactic Propagation of Ultra-High Energy Cosmic Rays
Kuempel, Daniel
2014-01-01
More than 100 years after the discovery of cosmic rays and various experimental efforts, the origin of ultra-high energies (E > 100 PeV) remains unclear. The understanding of production and propagation effects of these highest energetic particles in the universe is one of the most intense research fields of high-energy astrophysics. With the advent of advanced simulation engines developed during the last couple of years, and the increase of experimental data, we are now in a unique position to model source and propagation parameters in an unprecedented precision and compare it to measured data from large scale observatories. In this paper we revisit the most important propagation effects of cosmic rays through photon backgrounds and magnetic fields and introduce recent developments of propagation codes. Finally, by comparing the results to experimental data, possible implications on astrophysical parameters are given.
Beam-displacement ray-mode theory of sound propagation in shallow water
张仁和; 李风华
1999-01-01
A normal mode method for propagation modeling in common horizontally stratified shallow water, which is called beam-displacement ray-mode (BDRM) theory, is introduced. The peculiarity of this method is that the boundary effects on the sound field can be expressed by the equivalent boundary reflection coefficient, so BDRM theory can be extended to elastic bottom easily. Theoretical calculations of shallow-water sound field show that BDRM has high accuracy and fast speed. The pulse propagation in shallow water is also calculated by BDRM, and the calculated waveforms are in good agreement with the measured waveforms.
Origin and propagation of galactic cosmic rays
Cesarsky, Catherine J.; Ormes, Jonathan F.
1987-01-01
The study of systematic trends in elemental abundances is important for unfolding the nuclear and/or atomic effects that should govern the shaping of source abundances and in constraining the parameters of cosmic ray acceleration models. In principle, much can be learned about the large-scale distributions of cosmic rays in the galaxy from all-sky gamma ray surveys such as COS-B and SAS-2. Because of the uncertainties in the matter distribution which come from the inability to measure the abundance of molecular hydrogen, the results are somewhat controversial. The leaky-box model accounts for a surprising amount of the data on heavy nuclei. However, a growing body of data indicates that the simple picture may have to be abandoned in favor of more complex models which contain additional parameters. Future experiments on the Spacelab and space station will hopefully be made of the spectra of individual nuclei at high energy. Antiprotons must be studied in the background free environment above the atmosphere with much higher reliability and presion to obtain spectral information.
Fragmentation cross-sections and model uncertainties in Cosmic Ray propagation physics
Tomassetti, Nicola
2015-01-01
Abundances and energy spectra of cosmic ray nuclei are being measured with high accuracy by the AMS experiment. These observations can provide tight constraints to the propagation models of galactic cosmic rays. In the view of the release of these data, I present an evaluation of the model uncertainties associated to the cross-sections for secondary production of Li-Be-B nuclei in cosmic rays. I discuss the role of cross section uncertainties in the calculation of the boron-to-carbon and beryllium-to-boron ratios, as well as their impact in the determination of the cosmic-ray transport parameters.
Complex polarization propagator calculations of magnetic circular dichroism spectra
Solheim, Harald; Ruud, Kenneth; Coriani, Sonia; Norman, Patrick
2008-03-01
It is demonstrated that the employment of the nonlinear complex polarization propagator enables the calculation of the complete magnetic circular dichroism spectra of closed-shell molecules, including at the same time both the so-called Faraday A and B terms. In this approach, the differential absorption of right and left circularly polarized light in the presence of a static magnetic field is determined from the real part of the magnetic field-perturbed electric dipole polarizability. The introduction of the finite lifetimes of the electronically excited states into the theory results in response functions that are well behaved in the entire spectral region, i.e., the divergencies that are found in conventional response theory approaches at the transition energies of the system are not present. The applicability of the approach is demonstrated by calculations of the ultraviolet magnetic circular dichroism spectra of para-benzoquinone, tetrachloro-para-benzoquinone, and cyclopropane. The present results are obtained with the complex polarization propagator approach in conjunction with Kohn-Sham density functional theory and the standard adiabatic density functionals B3LYP, CAM-B3LYP, and BHLYP.
Constraining gamma-ray propagation on cosmic distances
Biteau, Jonathan
2013-01-01
Studying the propagation of gamma rays on cosmological distances encompasses a variety of scientific fields, focusing on diffuse radiation fields such as the extragalactic background light, on the probe of the magnetism of the Universe on large scales, and on physics beyond the standard models of cosmology and particle physics. The measurements, constraints and hints from observations of gamma-ray blazars by airborne and ground-based instruments are briefly reviewed. These observations point ...
Propagation of cosmic rays into diffuse clouds
Morlino, Giovanni
2014-01-01
We study the capability of low-energy cosmic rays (CR) to penetrate into diffuse clouds when they move from the hot ionized plasma to a cool cloud embedded in that plasma. The spectrum of CR inside a cloud can be remarkably different from the the one present in the hot interstellar medium because when CRs pass through a dense cloud of matter, they suffer energy losses due to ionization and nuclear interactions. Hence there is a net flux of CRs towards the cloud that can excite Alfv\\'en waves. In turn, self-excited Alfv\\'en waves enhances the diffusion of CRs near the edge of the cloud, forcing CRs to spend more time in this layer and increasing the amount of energy losses. The final effect is that the flux of CR entering into the cloud is strongly suppressed below an energy threshold whose value depends on ambient parameters. For the first time we use the full kinetic theory to describe this problem, coupling CRs and Alfv\\'en waves through the streaming instability, and including the damping of the waves due ...
Constraining gamma-ray propagation on cosmic distances
Biteau, Jonathan
2013-01-01
Studying the propagation of gamma rays on cosmological distances encompasses a variety of scientific fields, focusing on diffuse radiation fields such as the extragalactic background light, on the probe of the magnetism of the Universe on large scales, and on physics beyond the standard models of cosmology and particle physics. The measurements, constraints and hints from observations of gamma-ray blazars by airborne and ground-based instruments are briefly reviewed. These observations point to gamma-ray cosmology as one of the major science cases of the Cherenkov Telescope Array, CTA.
The intergalactic propagation of ultrahigh energy cosmic ray nuclei
Hooper, Dan; /Fermilab; Sarkar, Subir; /Oxford U., Theor. Phys.; Taylor, Andrew M.; /Oxford U.
2006-08-01
We investigate the propagation of ultra-high energy cosmic ray nuclei (A = 1-56) from cosmologically distant sources through the cosmic radiation backgrounds. Various models for the injected composition and spectrum and of the cosmic infrared background are studied using updated photodisintegration cross-sections. The observational data on the spectrum and the composition of ultra-high energy cosmic rays are jointly consistent with a model where all of the injected primary cosmic rays are iron nuclei (or a mixture of heavy and light nuclei).
Pinpointing cosmic ray propagation with the AMS-02 experiment
Pato, Miguel [Dipartimento di Fisica, Università degli Studi di Padova, via Marzolo 8, I-35131, Padova (Italy); Hooper, Dan [Center for Particle Astrophysics, Fermi National Accelerator Laboratory, Batavia, IL 60510 (United States); Simet, Melanie, E-mail: pato@iap.fr, E-mail: dhooper@fnal.gov, E-mail: msimet@uchicago.edu [Department of Astronomy and Astrophysics, University of Chicago, Chicago, IL 60637 (United States)
2010-06-01
The Alpha Magnetic Spectrometer (AMS-02), which is scheduled to be deployed onboard the International Space Station later this year, will be capable of measuring the composition and spectra of GeV-TeV cosmic rays with unprecedented precision. In this paper, we study how the projected measurements from AMS-02 of stable secondary-to-primary and unstable ratios (such as boron-to-carbon and beryllium-10-to-beryllium-9) can constrain the models used to describe the propagation of cosmic rays throughout the Milky Way. We find that within the context of fairly simple propagation models, all of the model parameters can be determined with high precision from the projected AMS-02 data. Such measurements are less constraining in more complex scenarios, however, which allow for departures from a power-law form for the diffusion coefficient, for example, or for inhomogeneity or stochasticity in the distribution and chemical abundances of cosmic ray sources.
MONTE-CARLO BURNUP CALCULATION UNCERTAINTY QUANTIFICATION AND PROPAGATION DETERMINATION
Nichols, T.; Sternat, M.; Charlton, W.
2011-05-08
MONTEBURNS is a Monte-Carlo depletion routine utilizing MCNP and ORIGEN 2.2. Uncertainties exist in the MCNP transport calculation, but this information is not passed to the depletion calculation in ORIGEN or saved. To quantify this transport uncertainty and determine how it propagates between burnup steps, a statistical analysis of a multiple repeated depletion runs is performed. The reactor model chosen is the Oak Ridge Research Reactor (ORR) in a single assembly, infinite lattice configuration. This model was burned for a 25.5 day cycle broken down into three steps. The output isotopics as well as effective multiplication factor (k-effective) were tabulated and histograms were created at each burnup step using the Scott Method to determine the bin width. It was expected that the gram quantities and k-effective histograms would produce normally distributed results since they were produced from a Monte-Carlo routine, but some of results do not. The standard deviation at each burnup step was consistent between fission product isotopes as expected, while the uranium isotopes created some unique results. The variation in the quantity of uranium was small enough that, from the reaction rate MCNP tally, round off error occurred producing a set of repeated results with slight variation. Statistical analyses were performed using the {chi}{sup 2} test against a normal distribution for several isotopes and the k-effective results. While the isotopes failed to reject the null hypothesis of being normally distributed, the {chi}{sup 2} statistic grew through the steps in the k-effective test. The null hypothesis was rejected in the later steps. These results suggest, for a high accuracy solution, MCNP cell material quantities less than 100 grams and greater kcode parameters are needed to minimize uncertainty propagation and minimize round off effects.
Modeling cosmic ray propagation and associated interstellar emissions
Moskalenko, Igor
2012-07-01
Last several years were highlighted by many breakthroughs and discoveries in astrophysics of cosmic rays (CRs), thanks to superior instruments such as BESS, PAMELA, Fermi-LAT, Agile, INTEGRAL, HESS, VERITAS, Milagro, ATIC, CREAM, ACE and others. They provide key pieces of information that may lead to the solution of the century-old puzzle of the origin of CRs and may contain signatures of new physics. Exploiting the data collected by the scientific missions to the fullest requires reliable and detailed model of the Milky Way galaxy. GALPROP is the current state-of-the-art numerical CR propagation code that has become a standard analysis tool in CR and gamma-ray research. It uses extensive astrophysical information along with nuclear and particle data as input to self-consistently predict CRs, diffuse gamma rays, synchrotron emission and other observables. I will review recent GALPROP developments and results.
Ray-based calculations of laser backscatter in ICF targets
Strozzi, D J; Hinkel, D E; Froula, D H; London, R A; Callahan, D A
2008-01-01
A steady-state model for Brillouin and Raman backscatter along a laser ray path is presented. The daughter plasma waves are treated in the strong damping limit, and have amplitudes given by the (linear) kinetic response to the ponderomotive drive. Pump depletion, inverse-bremsstrahlung damping, bremsstrahlung emission, Thomson scattering off density fluctuations, and whole-beam focusing are included. The numerical code Deplete, which implements this model, is described. The model is compared with traditional linear gain calculations, as well as ``plane-wave'' simulations with the paraxial propagation code pF3D. Comparisons with Brillouin-scattering experiments at the Omega Laser Facility show that laser speckles greatly enhance the reflectivity over the Deplete results. An approximate upper bound on this enhancement is given by doubling the Deplete coupling coefficient. Analysis with Deplete of an ignition design for the National Ignition Facility (NIF), with a peak radiation temperature of 285 eV, shows enco...
Modelling the cosmic ray electron propagation in M 51
Mulcahy, D D; Beck, R; Mitra, D; Scaife, A M M
2016-01-01
Cosmic ray electrons (CREs) are a crucial part of the ISM and are observed via synchrotron emission. While much modelling has been carried out on the CRE distribution and propagation of the Milky Way, little has been done on normal external star-forming galaxies. Recent spectral data from a new generation of radio telescopes enable us to find more robust estimations of the CRE propagation. We model the synchrotron spectral index of M 51 using the time-dependent diffusion energy-loss equation and to compare the model results with the observed spectral index determined from recent low-frequency observations with LOFAR. This is the first time that this model for CRE propagation has been solved for a realistic distribution of CRE sources, which we derive from the observed star formation rate, in an external galaxy. The radial variation of the synchrotron spectral index and scale-length produced by the model are compared to recent LOFAR and older VLA observational data and also to new observations of M 51 at 325MH...
Application of ray theory to propagation of low frequency noise from wind turbines
Hawkins, James A.
1987-01-01
Ray theory is used to explain data from two experiments (1985 and 1985) on the propagation of low frequency sound generated by the WTS-4 wind turbine. Emphasis is on downwind data, but some upwind measurements taken during the 1985 experiment are also considered. General ray theory for a moving medium is reviewed and ray equations obtained. Restrictions are introduced simplifying the equations and permitting the use of a ray theory program MEDUSA, the computed propagation loss curve of which is compared to the measurements. Good qualitative agreement is obtained with 1984 downwind data. The results indicate that the downwind sound field is that of a near-ground sound channel. Although more scatter is seen in the 1985 data, agreement between theory and data is also good. In particular, the position and magnitude of the jump in the sound levels associated with the beginning of the sound channel is correctly predicted. The theoretical explanation of the upwind data is less successful. Ray theory calculations indicate the formation of a shadow zone that, in fact, does not occur. While no sharp shadow zone is apparent in the data, the general expectation (based on ray theory) that sound levels should be much reduced upwind is confirmed by the data.
Cosmic ray propagation in the Galaxy and associated interstellar emissions
Moskalenko, Igor
Last several years were highlighted by many breakthroughs and discoveries in astrophysics of cosmic rays (CRs), thanks to superior instruments such as PAMELA, Fermi-LAT, Agile, INTEGRAL, HESS, VERITAS, Milagro, ATIC, CREAM, ACE, Voyager 1, 2 and others. They provide key pieces of information that may lead to the solution of the century-old puzzle of the origin of CRs and may contain signatures of new physics. The long-awaited AMS-02 data will be published by the time of the conference; they may confirm earlier measurements at the new precision level and/or outline significant discrepancies. I will review the CR measurements and relevant observations of the Galactic CR sources and the diffuse emissions and discuss what we can learn about CRs and their propagation in the Galaxy.
Propagation of ultrahigh energy cosmic rays and compact sources
Fodor, Z
2001-01-01
The clustering of ultrahigh energy (>10^{20} eV) cosmic rays (UHECR) suggests that they might be emitted by compact sources. Statistical analysis (Dubovsky et al., 2000) estimated the source density. We extend their analysis to give also the confidence intervals (CI) for the source density using a.) no assumptions on the relationship between clustered and unclustered events; b.) nontrivial distributions for the source luminosities and energies; c.) the energy dependence of the propagation. We also determine the probability that a proton created at a distance r with energy E arrives at earth above a threshold E_c. Using this function one can determine the observed spectrum just by one numerical integration for any injection spectrum. The observed 14 UHECR events above 10^{20} eV with one doublet gives for the source densities 180_{-165}^{+2730}\\cdot 10^{-3} Mpc^{-3} (on the 68% confidence level).
Nonparaxial Fourier propagation tool for aberration analysis and point spread function calculation
Cain, Stephen C.; Watts, Tatsuki
2016-08-01
This paper describes a Fourier propagator for computing the impulse response of an optical system, while including terms ignored in Fresnel and Fraunhofer calculations. The propagator includes a Rayleigh-Sommerfeld diffraction formula calculation from a distant point through the optical system to its image point predicted by geometric optics. The propagator then approximates the neighboring field points via the traditional binomial approximation of the Taylor series expansion around that field point. This technique results in a propagator that combines the speed of a Fourier transform operation with the accuracy of the Rayleigh-Sommerfeld diffraction formula calculation and extends Fourier optics to cases that are nonparaxial. The proposed propagator facilitates direct calculation of aberration coefficients, making it more versatile than the angular spectrum propagator. Bounds on the phase error introduced by the approximations are derived, which show that it should be more widely applicable than the Fresnel propagator. Guidance on how to sample the pupil and detector planes of a simulated imaging system is provided. This report concludes by showing examples of diffraction calculations for a laboratory setup and comparing them to measured diffraction patterns to demonstrate the utility of the propagator.
Propagation of Cosmic Rays: Nuclear Physics in Cosmic-ray Studies
Moskalenko, Igor V.; Strong, Andrew W.; Mashnik, Stepan G.
2004-01-01
The nuclei fraction in cosmic rays (CR) far exceeds the fraction of other CR species, such as antiprotons, electrons, and positrons. Thus the majority of information obtained from CR studies is based on interpretation of isotopic abundances using CR propagation models where the nuclear data and isotopic production cross sections in p- and alpha-induced reactions are the key elements. This paper presents an introduction to the astrophysics of CR and diffuse gamma-rays and dimsses some of the puzzles that have emerged recently due to more precise data and improved propagation models. Merging with cosmology and particle physics, astrophysics of CR has become a very dynamic field with a large potential of breakthrough and discoveries in the near fume. Exploiting the data collected by the CR experiments to the fullest requires accurate nuclear cross sections.
Cosmic Ray propagation in sub-Alfvenic magnetohydrodynamic turbulence
Cohet, Romain
2016-01-01
This work has the main objective to provide a detailed investigation of cosmic ray propagation in magnetohydrodynamic turbulent fields generated by forcing the fluid velocity field at large scales. It provides a derivation of the particle mean free path dependences in terms of the turbulence level described by the Alfv\\'enic Mach number and in terms of the particle rigidity. We use an upgrade version of the magnetohydrodynamic code {\\tt RAMSES} which includes a forcing module and a kinetic module and solve the Lorentz equation for each particle. The simulations are performed using a 3 dimension periodical box in the test-particle and magnetostatic limits. The forcing module is implemented using an Ornstein-Uhlenbeck process. An ensemble average over a large number of particle trajectories is applied to reconstruct the particle mean free paths. We derive the cosmic ray mean free paths in terms of the Alfv\\'enic Mach numbers and particle reduced rigidities in different turbulence forcing geometries. The reduced...
Self-generated magnetic turbulence and the propagation of galactic cosmic rays
Aloisio, R
2013-01-01
Cosmic rays propagating in the Galaxy may excite a streaming instability when their motion is super-alfvenic, thereby producing the conditions for their own diffusion. We present the results of a self-consistent solution of the transport equation where diffusion occurs because of the self-generated turbulence together with a preexisting turbulence injected, for instance, by supernova explosions and cascading to smaller scales. All chemicals are included in our calculations, so that we are able to show the secondary to primary ratios in addition to the spectra of the individual elements. All predictions appear to be in good agreement with observations.
Calculation of cosmic ray induced single event upsets: Program CRUP (Cosmic Ray Upset Program)
Shapiro, P.
1983-09-01
This report documents PROGRAM CRUP, COSMIC RAY UPSET PROGRAM. The computer program calculates cosmic ray induced single-event error rates in microelectronic circuits exposed to several representative cosmic-ray environments.
Propagation of cosmic rays in the Earth's atmosphere
Putze, Antje [LPSC-CNRS-IN2P3, 53, avenue des Martyrs, 38021 Grenoble cedex (France)
2006-06-15
Cosmic rays are composed of charged particles, which arrive after a long travel through the Galaxy on Earth. Supernova explosions are considered to be galactic sources, which accelerate these particles up to energies around 10{sup 18} eV. Beyond this energy, one supposes that the extragalactic sources, like active galaxy nuclei (AGN), gamma ray bursts or pulsars, are the origin of the ultra high energy cosmic rays. The spectral index of the elemental energy distributions of cosmic rays reflects the dynamic of its propagation, particularly the conjugation of the effects connected to the cosmic ray source spectrum and those connected to its propagation (acceleration, absorption and escape). The evolution of the spectral index with the cosmic-ray particle energy constitutes a sensitive test of the components, which determine this evolution. The precise index measurement of individual elemental spectra of the cosmic rays by AMS up to TeV and by the experiment CREAM beyond it, from TeV to PeV, will permit to proceed in this problematic. One of the difficulties on this measurement is to take well into account the systematic errors. During the data analysis we have to take into account in particular the interaction (diffusion and fragmentation) of the ions while their travel through the Earth's atmosphere. The study of the interaction and the fragmentation of these ions in the atmosphere is hence indispensable and described in this work. The study is based on a matrix calculation, which had been successfully implemented and tested and which has permitted to analyse the effects, caused by the experimental uncertainties on the cross sections, on the spectral index measurement. (author)
Calculation of the local rupture speed of dynamically propagating earthquakes
Andrea Bizzarri
2014-01-01
Full Text Available The velocity at which a propagating earthquake advances on the fault surface is of pivotal importance in the contest of the source dynamics and in the modeling of the ground motions generation. In this paper the problem of the determination of the rupture speed (v_r is considered. The comparison of different numerical schemes to compute vr from the rupture time (t_r shows that, in general, central finite differences schemes are more accurate than forward or backward schemes, regardless the order of accuracy. Overall, the most efficient and accurate algorithm is the five–points stencil method at the second–order of accuracy. It is also shown how the determination of t_r can affect v_r ; numerical results indicate that if the fault slip velocity threshold (v_l used to define t_r is too high (v_l ≥ 0.1 m/s the details of the rupture are missed, for instance the rupture tip bifurcation occurring for 2–D supershear rupture. On the other hand, for v_l ≤ 0.01 m/s the results appear to be stable and independent on the choice of v_l . Finally, it is demonstrated that in the special case of the linear slip–weakening friction law the definitions of t_r from the threshold criterion on the fault slip velocity and from the achievement of the maximum yield stress are practically equivalent.
Calculation of Gamma Photon Propagation Processes in a Composite Material
Pavlenko, V. I.; Cherkashina, N. I.; Noskov, A. V.; Yastrebinskii, R. N.; Sokolenko, I. V.
2016-12-01
The paper presents the data on radiation protection properties of a composite material consisting of the glass-crystalline matrix and nanotubular chrysotile modified by inserting PbWO4 into its structure, as well as the data on key physico-mechanical characteristics of the composite, such as density, ultimate compression strength, microhardness, porosity, water absorption, temperature stability, and thermostability. It was established that in addition to radiation protection properties, the examined material has enhanced practical design characteristics and can be used as a construction material. The propagation of gamma photons with different energy levels through the composite material is examined. A graph is built for dependence of the linear gamma radiation attenuation coefficient (μ) on energy in the range 0.25 data is very small and equals around 2%, which confirms that the developed model is correct. It is established that the composite possesses enhanced radiation protection characteristics, far exceeding those of iron and slightly (by 10.4%) yielding to pure lead.
Validation of Three-Dimensional Ray-Tracing Algorithm for Indoor Wireless Propagations
Majdi Salem; Mahamod Ismail; Norbahiah Misran
2011-01-01
A 3D ray tracing simulator has been developed for indoor wireless networks. The simulator uses geometrical optics (GOs) to propagate the electromagnetic waves inside the buildings. The prediction technique takes into account multiple reflections and transmissions of the propagated waves. An interpolation prediction method (IPM) has been proposed to predict the propagated signal and to make the ray-tracing algorithm faster, accurate, and simple. The measurements have been achieved by using a s...
Antiproton Flux in Cosmic Ray Propagation Models with Anisotropic Diffusion
Grajek, Phillip
2010-01-01
Recently a cosmic ray propagation model has been introduced, where anisotropic diffusion is used as a mechanism to allow for $\\mathcal{O}(100)$ km/s galactic winds. This model predicts a reduced antiproton background flux, suggesting an excess is being observed. We implement this model in GALPROP v50.1 and perform a $\\chi^2$ analysis for B/C, $^{10}$Be/$^{9}$Be, and the recent PAMELA $\\bar{p}/p$ datasets. By introducing a power-index parameter $\\alpha$ that dictates the dependence of the diffusion coefficient $D_{xx}$ on height $|z|$ away from the galactic plane, we confirm that isotropic diffusion models with $\\alpha=0$ cannot accommodate high velocity convective winds suggested by ROSAT, while models with $\\alpha=1$ ($D_{xx}\\propto |z|$) can give a very good fit. A fit to B/C and $^{10}$Be/$^{9}$Be data predicts a lower $\\bar{p}/p$ flux ratio than the PAMELA measurement at energies between approximately 2 GeV to 20 GeV. A combined fit including in addition the $\\bar{p}/p$ data is marginal, suggesting only a...
Globus, N; Parizot, E
2007-01-01
We extend previous studies of mixed-composition extragalactic cosmic-ray source models, by investigating the influence of a non-negligible extragalactic magnetic field on the propagated cosmic-ray spectrum and composition. We study the transport of charged particles in turbulent fields and the transition from a ballistic to a diffusive propagation regime. We introduce a method allowing a fast integration of the particle trajectories, which allows us to calculate extragalactic cosmic-ray spectra in the general case, without using either the diffusive or the rectilinear approximation. We find that the main features of the mixed-composition models -- regarding the interpretation of the ankle and the non-monotonous evolution of the average cosmic-ray mass -- remain essentially unchanged as long as the magnetic field intensity does not exceed a few nG.
Ray-Based Calculations of Backscatter in Laser Fusion Targets
Strozzi, D J; Williams, E A; Hinkel, D E; Froula, D H; London, R A; Callahan, D A
2008-02-26
A steady-state model for Brillouin and Raman backscatter along a laser ray path is presented. The daughter plasma waves are treated in the strong damping limit, and have amplitudes given by the (linear) kinetic response to the ponderomotive drive. Pump depletion, inverse-bremsstrahlung damping, bremsstrahlung emission, Thomson scattering off density fluctuations, and whole-beam focusing are included. The numerical code deplete, which implements this model, is described. The model is compared with traditional linear gain calculations, as well as 'plane-wave' simulations with the paraxial propagation code pf3d. Comparisons with Brillouin-scattering experiments at the OMEGA Laser Facility [T. R. Boehly et al., Opt. Commun. 133, p. 495 (1997)] show that laser speckles greatly enhance the reflectivity over the deplete results. An approximate upper bound on this enhancement, motivated by phase conjugation, is given by doubling the deplete coupling coefficient. Analysis with deplete of an ignition design for the National Ignition Facility (NIF) [J. A. Paisner, E. M. Campbell, and W. J. Hogan, Fusion Technol. 26, p. 755 (1994)], with a peak radiation temperature of 285 eV, shows encouragingly low reflectivity. Doubling the coupling to bound the speckle enhancement suggests a less optimistic picture. Re-absorption of Raman light is seen to be significant in this design.
GPU-based ray tracing algorithm for high-speed propagation prediction in typical indoor environments
Guo, Lixin; Guan, Xiaowei; Liu, Zhongyu
2015-10-01
A fast 3-D ray tracing propagation prediction model based on virtual source tree is presented in this paper, whose theoretical foundations are geometrical optics(GO) and the uniform theory of diffraction(UTD). In terms of typical single room indoor scene, taking the geometrical and electromagnetic information into account, some acceleration techniques are adopted to raise the efficiency of the ray tracing algorithm. The simulation results indicate that the runtime of the ray tracing algorithm will sharply increase when the number of the objects in the single room is large enough. Therefore, GPU acceleration technology is used to solve that problem. As is known to all, GPU is good at calculation operation rather than logical judgment, so that tens of thousands of threads in CUDA programs are able to calculate at the same time, in order to achieve massively parallel acceleration. Finally, a typical single room with several objects is simulated by using the serial ray tracing algorithm and the parallel one respectively. It can be found easily from the results that compared with the serial algorithm, the GPU-based one can achieve greater efficiency.
Improved Ray-Tracing for advanced radio propagation channel modeling
2012-01-01
The characterization of the wireless propagation channel has always been an important issue in radio communications. However, in recent years, given the dramatic increase of demand in terms of capabilities of wireless systems, e.g. data rate, quality of service etc., the study of propagation has become of crucial importance. As measurements are generally costly and time consuming, channel models are widely used for this purpose. The modeling of propagation may rely on different types of mo...
Deleuze, M.S.; Pickup, B.T.; Wilton, D.J.
2000-04-05
The authors present the theory of the electron propagator perturbed by an external electric field and show how it can be used to calculate a variety of one-electron linear response properties that are accurate through second order in electron correlation. Some illustrative calculations are discussed.
Propagation of cosmic rays through the atmosphere in the quark-gluon strings model
Erlykin, A. D.; Krutikova, N. P.; Shabelski, Y. M.
1985-01-01
The quark-gluon strings model succeeds in the description of multiple hadron production in the central rapidity region of nucleon-nucleon interctions. This model was developed for hadron-nucleus interactions and used for calculation of the cosmic ray propagation through the atmosphere. It is shown that at energies 10 to the 11th power to the 12th power eV, this model gives a satisfactory description of experimental data. But with the increase of the energy up to approximately 10 to the 14th power eV, results of calculations and of experiments begin to differ and this difference rises with the energy. It may indicate that the scaling violation in the fragmentation region of inclusive spectra for hadron-nucleus interactions is stronger than in the quark-gluon strings model.
Valence photoelectron spectra of alkali bromides calculated within the propagator theory
Karpenko, Alexander; Iablonskyi, Denys; Aksela, Helena
2013-01-01
The valence ionization spectra covering the binding energy range 0-45 eV of alkali bromide XBr (X = Li, Na, K, Rb) vapors are studied within the framework of the propagator theory. Relativistic Algebraic Diagrammatic Construction calculations have been carried out in order to investigate photoion......The valence ionization spectra covering the binding energy range 0-45 eV of alkali bromide XBr (X = Li, Na, K, Rb) vapors are studied within the framework of the propagator theory. Relativistic Algebraic Diagrammatic Construction calculations have been carried out in order to investigate...
Charnotskii, Mikhail; Baker, Gary J.
2011-06-01
Asymptotic theory of the finite beam scintillations (Charnotskii, WRM, 1994, JOSA A, 2010) provides an exhaustive description of the dependence of the beam scintillation index on the propagation conditions, beam size and focusing. However the complexity of the asymptotic configuration makes it difficult to apply these results for the practical calculations of the scintillation index (SI). We propose an estimation technique and demonstrate some examples of the calculations of the scintillation index dependence on the propagation path length, initial beam size, wavelength and turbulence strength for the beam geometries and propagation scenarios that are typical for applications. We suggest simple analytic bridging approximations that connect the specific asymptotes with the accuracy sufficient for the engineering estimates. Proposed technique covers propagation of the wide, narrow, collimated and focused beams under the weak and strong scintillation conditions. Direct numeric simulation of the beam waves propagation through turbulence expediently complements the asymptotic theory being most efficient when the governing scales difference is not very large. We performed numerical simulations of the beam wave propagation through turbulence for conditions that partially overlap with the major parameter space domains of the asymptotic theory. The results of the numeric simulation are used to confirm the asymptotic theory and estimate the accuracy of the bridging approximations.
Neutrinos from gamma-ray bursts: propagation of cosmic rays in their host galaxies
Wang, Zi-Yi; Wang, Jun-Feng
2015-01-01
Gamma-ray bursts (GRBs) are proposed as candidate sources of ultra-high energy cosmic rays (UHECRs). We study the possibility that the PeV neutrinos recently observed by IceCube are produced by GRB cosmic rays interacting with the interstellar gas in the host galaxies. By studying the relation between the X-ray absorption column density N_H and the surface star-formation rate of GRB host galaxies, we find that N_H is a good indicator of the surface gas density of the host galaxies. Then we are able to calculate the neutrino production efficiency of CRs for GRBs with known N_H. We collect a sample of GRBs that have both measurements of N_H and accurate gamma-ray fluence, and attempt to calculate the accumulated neutrino flux based on the current knowledge about GRBs and their host galaxies. When the CR intensity produced by GRBs is normalized with the observed UHECR flux above $10^{19}{\\rm eV}$, the accumulated neutrino flux at PeV energies is estimated to be about $(0.3\\pm0.2)\\times10^{-8} \\rm{GeV\\ cm^{-2}\\ s...
Feng, Jie; Tomassetti, Nicola; Oliva, Alberto
2016-12-01
The AMS-02 experiment has reported a new measurement of the antiproton/proton ratio in Galactic cosmic rays (CRs). In the energy range E ˜60 - 450 GeV , this ratio is found to be remarkably constant. Using recent data on CR proton, helium, and carbon fluxes, 10Be/9Be and B/C ratios, we have performed a global Bayesian analysis based on a Markov chain Monte Carlo sampling algorithm under a "two halo model" of CR propagation. In this model, CRs are allowed to experience a different type of diffusion when they propagate in the region close to the Galactic disk. We found that the vertical extent of this region is about 900 pc above and below the disk, and the corresponding diffusion coefficient scales with energy as D ∝E0.15 , describing well the observations on primary CR spectra, secondary/primary ratios, and anisotropy. Under this model, we have carried out improved calculations of antiparticle spectra arising from secondary CR production and their corresponding uncertainties. We made use of Monte Carlo generators and accelerator data to assess the antiproton production cross sections and their uncertainties. While the positron excess requires the contribution of additional unknown sources, we found that the new AMS-02 antiproton data are consistent, within the estimated uncertainties, with our calculations based on secondary production.
Investigation of propagation algorithms for ray-tracing simulation of polarized neutrons
Bergbäck Knudsen, Erik; Tranum-Rømer, A.; Willendrup, Peter Kjær
2014-01-01
Ray-tracing of polarized neutrons faces a challenge when the neutron propagates through an inhomogeneous magnetic field. This affects simulations of novel instruments using encoding of energy or angle into the neutron spin. We here present a new implementation of propagation of polarized neutrons...
Campolina, Daniel de A. M.; Lima, Claubia P. B.; Veloso, Maria Auxiliadora F.
2014-06-01
For all the physical components that comprise a nuclear system there is an uncertainty. Assessing the impact of uncertainties in the simulation of fissionable material systems is essential for a best estimate calculation that has been replacing the conservative model calculations as the computational power increases. The propagation of uncertainty in a simulation using a Monte Carlo code by sampling the input parameters is recent because of the huge computational effort required. In this work a sample space of MCNPX calculations was used to propagate the uncertainty. The sample size was optimized using the Wilks formula for a 95th percentile and a two-sided statistical tolerance interval of 95%. Uncertainties in input parameters of the reactor considered included geometry dimensions and densities. It was showed the capacity of the sampling-based method for burnup when the calculations sample size is optimized and many parameter uncertainties are investigated together, in the same input.
Valence photoelectron spectra of alkali bromides calculated within the propagator theory.
Karpenko, Alexander; Iablonskyi, Denys; Aksela, Helena
2013-04-28
The valence ionization spectra covering the binding energy range 0-45 eV of alkali bromide XBr (X = Li, Na, K, Rb) vapors are studied within the framework of the propagator theory. Relativistic Algebraic Diagrammatic Construction calculations have been carried out in order to investigate photoionization processes and to describe molecular electronic structure. Theoretical results are compared with available experimental data.
Zheng, Yonghui; Sun, Huayan; Zhao, Yanzhong; Chen, Jianbiao
2015-10-01
Active laser detection technique has a broad application prospect in antimissile and air defense, however the aerodynamic flow field around the planes and missiles cause serious distortion effect on the detecting laser beams. There are many computational fluid dynamics(CFD) codes that can predict the air density distribution and also the density fluctuations of the flow field, it's necessary for physical optics to be used to predict the distortion properties after propagation through the complex process. Aiming at the physical process of laser propagation in "Cat-eye" lenses and aerodynamic flow field for twice, distortion propagation calculation method is researched in this paper. In the minds of dividing the whole process into two parts, and tread the aero-optical optical path difference as a phase distortion, the incidence and reflection process are calculated using Collins formula and angular spectrum diffraction theory respectively. In addition, turbulent performance of the aerodynamic flow field is estimated according to the electromagnetic propagation theory through a random medium, the rms optical path difference and Strehl ratio of the turbulent optical distortion are obtained. Finally, Computational fluid mechanics and aero-optical distortion properties of the detecting laser beams are calculated with the hemisphere-on-cylinder turret as an example, calculation results are showed and analysed.
Tracing Analytic Ray Curves for Light and Sound Propagation in Non-Linear Media.
Mo, Qi; Yeh, Hengchin; Manocha, Dinesh
2016-11-01
The physical world consists of spatially varying media, such as the atmosphere and the ocean, in which light and sound propagates along non-linear trajectories. This presents a challenge to existing ray-tracing based methods, which are widely adopted to simulate propagation due to their efficiency and flexibility, but assume linear rays. We present a novel algorithm that traces analytic ray curves computed from local media gradients, and utilizes the closed-form solutions of both the intersections of the ray curves with planar surfaces, and the travel distance. By constructing an adaptive unstructured mesh, our algorithm is able to model general media profiles that vary in three dimensions with complex boundaries consisting of terrains and other scene objects such as buildings. Our analytic ray curve tracer with the adaptive mesh improves the efficiency considerably over prior methods. We highlight the algorithm's application on simulation of visual and sound propagation in outdoor scenes.
Golden, R. L.; Badhwar, G. D.; Stephens, S. A.
1975-01-01
The continuity equation for cosmic ray propagation is used to derive a set of linear equations interrelating the fluxes of multiply charged nuclei as observed at any particular part of the galaxy. The derivation leads to model independent definitions for cosmic ray storage time, mean density of target nuclei and effective mass traversed. The set of equations form a common framework for comparisons of theories and observations. As an illustration, it is shown that there exists a large class of propagation models which give the same result as the exponential path length model. The formalism is shown to accommodate dynamic as well as equilibrium models of production and propagation.
Gonoskov, Ivan; Marklund, Mattias
2016-05-01
We propose and develop a general method of numerical calculation of the wave function time evolution in a quantum system which is described by Hamiltonian of an arbitrary dimensionality and with arbitrary interactions. For this, we obtain a general n-order single-step propagator in closed-form, which could be used for the numerical solving of the problem with any prescribed accuracy. We demonstrate the applicability of the proposed approach by considering a quantum problem with non-separable time-dependent Hamiltonian: the propagation of an electron in focused electromagnetic field with vortex electric field component.
TAO Hua-xue; GUO Jin-yun
2005-01-01
The unknown parameter's variance-covariance propagation and calculation in the generalized nonlinear least squares remain to be studied now,which didn't appear in the internal and external referencing documents. The unknown parameter's variance-covariance propagation formula, considering the two-power terms, was concluded used to evaluate the accuracy of unknown parameter estimators in the generalized nonlinear least squares problem. It is a new variance-covariance formula and opens up a new way to evaluate the accuracy when processing data which have the multi-source,multi-dimensional, multi-type, multi-time-state, different accuracy and nonlinearity.
Nonlinear effects in propagation of radiation of X-ray free-electron lasers
Nosik, V. L.
2016-05-01
Nonlinear effects accompanying the propagation of high-intensity beams of X-ray free-electron lasers are considered. It is shown that the X-ray wave field in the crystal significantly changes due to the formation of "hollow" atomic shells as a result of the photoelectric effect.
A Monte Carlo approach for simulating the propagation of partially coherent x-ray beams
Prodi, A.; Bergbäck Knudsen, Erik; Willendrup, Peter Kjær
2011-01-01
by sampling Huygens-Fresnel waves with Monte Carlo methods and is used to propagate each source realization to the detector plane. The sampling is implemented with a modified Monte Carlo ray tracing scheme where the optical path of each generated ray is stored. Such information is then used in the summation...
Feng, Jie; Oliva, Alberto
2016-01-01
The AMS-02 experiment has reported a new measurement of the antiproton/proton ratio in Galactic cosmic rays (CRs). In the energy range $E\\sim\\,$60-450 GeV, this ratio is found to be remarkably constant. Using recent data on CR proton, helium, carbon, 10Be/9Be, and B/C ratio, we have performed a global Bayesian analysis based on a Markov-Chain Monte-Carlo sampling algorithm under a "two halo model" of CR propagation. In this model, CRs are allowed to experience a different type of diffusion when they propagate in the region close of the Galactic disk. We found that the vertical extent of this region is about 900 pc above and below the disk, and the corresponding diffusion coefficient scales with energy as $D\\sim\\,E^{0.15}$, describing well the observations on primary CR spectra, secondary/primary ratios and anisotropy. Under this model we have carried out improved calculations of antiparticle spectra arising from secondary CR production and their corresponding uncertainties. We made use of Monte-Carlo generato...
Restrictive scenarios from Lorentz Invariance Violation to cosmic rays propagation
Martínez-Huerta, H
2016-01-01
Lorentz Invariance Violation introduced as a generic modification to particle dispersion relations is used to study high energy cosmic ray attenuation processes. It is shown to reproduce the same physical effects for vacuum Cherenkov radiation, as in models with spontaneous breaking of Lorentz symmetry. This approximation is also implemented for the study of photon decay in vacuum, where stringent limits to the violation scale are derived from the direct observation of very high energy cosmic ray photon events on gamma telescopes. Photo production processes by cosmic ray primaries on photon background are also addressed, to show that Lorentz violation may turn off this attenuation process at energies above a well defined secondary threshold.
Sound propagation in two-axis underwater channel based on beam-displacement ray-mode theory
无
2007-01-01
Sound propagation in a deep ocean two-axis underwater channel is often complex and difficult to simulate between surface channel and sound fixing and ranging (SOFAR) channel. The beam-displacement ray-mode (BDRM) theory is a normal mode method for propagation modeling in horizontally stratified shallow water. An improved method for computing the upper boundary reflection coefficient in the BDRM is proposed and applied to calculate the acoustic fields of a two-axis underwater channel. Transmission losses in the two-axis underwater channel are calculated in the new BDRM. The corresponding results are in good agreement with those from the Kraken code, and furthermore the computed speed of the new BDRM excels the other methods.
Calculation of {beta}-ray spectra. Odd-odd nuclei
Tachibana, Takahiro [Waseda Univ., Tokyo (Japan). Advanced Research Center for Science and Engineering
1996-05-01
In order to study {beta}-ray of atomic nucleus, it is natural to consider {beta}-ray data fundamental and important. In a recent experiment, Rudstam measured {beta}-ray spectra from short term nuclear fission product species in 1990. It is an important check point in theoretical study on {beta}-ray to investigate if these experimental data can be reproduced by any theoretical calculation. As there are several spectrum studies of {beta}-ray through decay heat for its various properties due to the general theory of the {beta}-decay, little descriptions can be found. In even such studies, spectra under high excitation state of daughter species difficult to measure and apt to short experimental results were treated with combination spectra composed of experimental and calculated values such as substitution of a part of the general theory with calculated value. In this paper, the {beta} spectra supposed by only the general theory was reported without using such data combination in order to confirm effectiveness of the theory. In particular, this report was described mainly on the results using recent modification of odd-odd nucleus species. (G.K.)
The calculation of features of X-ray radiation
Dushkin S. A.
2008-12-01
Full Text Available On the basis of theoretical research an algorithm was received, allowing to calculate the features of X-ray radiation: spectral resolution, mean photon energy, homogeneity coefficient, the first and the second half-value layer by means of building a spectrum of bremsstrahlung X-ray radiation and determining the mean photon energy disregarding and taking into account the filter, required for the determination of 1st HVL; an analysis and comparison of calculated features of standard X-ray radiations of series L, N, W and H with similar features, provided in DSTU ISO 4037-1:2006 were carried out; the criterion of applicability of the given algorithm – the homogeneity coefficient value – was determined on the basis of the analysis and comparison.
Restrictions from Lorentz invariance violation on cosmic ray propagation
Martínez-Huerta, H.; Pérez-Lorenzana, A.
2017-03-01
Lorentz invariance violation introduced as a generic modification to particle dispersion relations is used to study high energy cosmic ray attenuation processes. It is shown to reproduce the same physical effects for vacuum Cherenkov radiation, as in some particular models with spontaneous breaking of Lorentz symmetry. This approximation is also implemented for the study of photon decay in vacuum, where stringent limits to the violation scale are derived from the direct observation of very high energy cosmic ray photon events on gamma telescopes. Photo production processes by cosmic ray primaries on photon background are also addressed, to show that Lorentz violation may turn off this attenuation process at energies above a well-defined secondary threshold.
Blasi, Pasquale
2011-01-01
In this paper we investigate the effect of stochasticity in the spatial and temporal distribution of supernova remnants on the spectrum and chemical composition of cosmic rays observed at Earth. The calculations are carried out for different choices of the diffusion coefficient D(E) experienced by cosmic rays during propagation in the Galaxy. In particular, at high energies we assume that D(E)\\sim E^{\\delta}, with $\\delta=1/3$ and $\\delta=0.6$ being the reference scenarios. The large scale distribution of supernova remnants in the Galaxy is modeled following the distribution of pulsars, with and without accounting for the spiral structure of the Galaxy. We find that the stochastic fluctuations induced by the spatial and temporal distribution of supernovae, together with the effect of spallation of nuclei, lead to mild but sensible violations of the simple, leaky-box-inspired rule that the spectrum observed at Earth is $N(E)\\propto E^{-\\alpha}$ with $\\alpha=\\gamma+\\delta$, where $\\gamma$ is the slope of the co...
Acceleration and propagation of ultrahigh energy cosmic rays
Lemoine, M
2012-01-01
The origin of the highest energy cosmic rays represents one of the most conspicuous enigmas of modern astrophysics, in spite of gigantic experimental efforts in the past fifty years, and of active theoretical research. The past decade has known exciting experimental results, most particularly the detection of a cut-off at the expected position for the long sought Greisen-Zatsepin-Kuzmin suppression as well as evidence for large scale anisotropies. This paper summarizes and discusses recent achievements in this field.
Calculation of positron binding energies using the generalized any particle propagator theory
Romero, Jonathan; Charry, Jorge A. [Department of Chemistry, Universidad Nacional de Colombia, Av. Cra. 30 #45-03, Bogotá (Colombia); Flores-Moreno, Roberto [Departamento de Química, Universidad de Guadalajara, Blvd. Marcelino García Barragán 1421, Guadalajara Jal., C. P. 44430 (Mexico); Varella, Márcio T. do N. [Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo, SP (Brazil); Reyes, Andrés, E-mail: areyesv@unal.edu.co [Department of Chemistry, Universidad Nacional de Colombia, Av. Cra. 30 #45-03, Bogotá (Colombia); Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo, SP (Brazil)
2014-09-21
We recently extended the electron propagator theory to any type of quantum species based in the framework of the Any-Particle Molecular Orbital (APMO) approach [J. Romero, E. Posada, R. Flores-Moreno, and A. Reyes, J. Chem. Phys. 137, 074105 (2012)]. The generalized any particle molecular orbital propagator theory (APMO/PT) was implemented in its quasiparticle second order version in the LOWDIN code and was applied to calculate nuclear quantum effects in electron binding energies and proton binding energies in molecular systems [M. Díaz-Tinoco, J. Romero, J. V. Ortiz, A. Reyes, and R. Flores-Moreno, J. Chem. Phys. 138, 194108 (2013)]. In this work, we present the derivation of third order quasiparticle APMO/PT methods and we apply them to calculate positron binding energies (PBEs) of atoms and molecules. We calculated the PBEs of anions and some diatomic molecules using the second order, third order, and renormalized third order quasiparticle APMO/PT approaches and compared our results with those previously calculated employing configuration interaction (CI), explicitly correlated and quantum Montecarlo methodologies. We found that renormalized APMO/PT methods can achieve accuracies of ∼0.35 eV for anionic systems, compared to Full-CI results, and provide a quantitative description of positron binding to anionic and highly polar species. Third order APMO/PT approaches display considerable potential to study positron binding to large molecules because of the fifth power scaling with respect to the number of basis sets. In this regard, we present additional PBE calculations of some small polar organic molecules, amino acids and DNA nucleobases. We complement our numerical assessment with formal and numerical analyses of the treatment of electron-positron correlation within the quasiparticle propagator approach.
Calculation of positron binding energies using the generalized any particle propagator theory
Romero, Jonathan; Charry, Jorge A.; Flores-Moreno, Roberto; Varella, Márcio T. do N.; Reyes, Andrés
2014-09-01
We recently extended the electron propagator theory to any type of quantum species based in the framework of the Any-Particle Molecular Orbital (APMO) approach [J. Romero, E. Posada, R. Flores-Moreno, and A. Reyes, J. Chem. Phys. 137, 074105 (2012)]. The generalized any particle molecular orbital propagator theory (APMO/PT) was implemented in its quasiparticle second order version in the LOWDIN code and was applied to calculate nuclear quantum effects in electron binding energies and proton binding energies in molecular systems [M. Díaz-Tinoco, J. Romero, J. V. Ortiz, A. Reyes, and R. Flores-Moreno, J. Chem. Phys. 138, 194108 (2013)]. In this work, we present the derivation of third order quasiparticle APMO/PT methods and we apply them to calculate positron binding energies (PBEs) of atoms and molecules. We calculated the PBEs of anions and some diatomic molecules using the second order, third order, and renormalized third order quasiparticle APMO/PT approaches and compared our results with those previously calculated employing configuration interaction (CI), explicitly correlated and quantum Montecarlo methodologies. We found that renormalized APMO/PT methods can achieve accuracies of ˜0.35 eV for anionic systems, compared to Full-CI results, and provide a quantitative description of positron binding to anionic and highly polar species. Third order APMO/PT approaches display considerable potential to study positron binding to large molecules because of the fifth power scaling with respect to the number of basis sets. In this regard, we present additional PBE calculations of some small polar organic molecules, amino acids and DNA nucleobases. We complement our numerical assessment with formal and numerical analyses of the treatment of electron-positron correlation within the quasiparticle propagator approach.
Yang, Bing; Liao, Zhen; Qin, Yahang; Wu, Yayun; Liang, Sai; Xiao, Shoune; Yang, Guangwu; Zhu, Tao
2017-05-01
To describe the complicated nonlinear process of the fatigue short crack evolution behavior, especially the change of the crack propagation rate, two different calculation methods are applied. The dominant effective short fatigue crack propagation rates are calculated based on the replica fatigue short crack test with nine smooth funnel-shaped specimens and the observation of the replica films according to the effective short fatigue cracks principle. Due to the fast decay and the nonlinear approximation ability of wavelet analysis, the self-learning ability of neural network, and the macroscopic searching and global optimization of genetic algorithm, the genetic wavelet neural network can reflect the implicit complex nonlinear relationship when considering multi-influencing factors synthetically. The effective short fatigue cracks and the dominant effective short fatigue crack are simulated and compared by the Genetic Wavelet Neural Network. The simulation results show that Genetic Wavelet Neural Network is a rational and available method for studying the evolution behavior of fatigue short crack propagation rate. Meanwhile, a traditional data fitting method for a short crack growth model is also utilized for fitting the test data. It is reasonable and applicable for predicting the growth rate. Finally, the reason for the difference between the prediction effects by these two methods is interpreted.
Alija, A; Sobrado, I; Rodriguez-RodrIguez, G; Velez, M; Alameda, J M; MartIn, J I [Dpto. Fisica. Fac. Ciencias. Universidad de Oviedo - CINN. 33007, Oviedo (Spain); Parrondo, J M R, E-mail: a.alija@cinn.e [Dpto. Fisica Atomica, Molecular y Nuclear and GISD. Universidad Complutense de Madrid. 28040, Madrid (Spain)
2010-01-01
Micromagnetic simulations have been performed in uniaxial magnetic films with 2D array of asymmetric arrow shape holes. In order to understand the asymmetric pinning potential created by the holes, different boundary geometries conditions are used on the simulations. The depinning fields for forward and backward domain wall propagation have been calculated by the analysis of the energy landscapes as a function of the domain wall position. Domain wall depinning occurs preferentially at the free ends of the domain wall at the film boundaries. We have found that the domain wall propagation is different at the top/bottom boundaries of the simulated film which can be understood in terms of the magnetostatic energy and the chirality of the domain wall.
X-Ray Propagation in Tapered Planar Waveguide
Dolocan, Andrei; van der Veen, J. Friso
The present paper focuses on the tapered planar waveguide solution for an initial given wave form. The algorithm is constructed in distributions space such that the calculations can be actually computed by taking some hypothesis regarding the mode series which appear. The whole argument leads to the conclusion that the wave is compressed towards the waveguide in the direction of tilting, leading thereafter to a focusing phenomena. We present two alternative constructions in order to compute the convolution which gives the wave inside the waveguide. The hypothesis are providing results in good approximation with the real evolution of the field within the definition domain.
Total Sensitivity Index Calculation of Tool Requirement Model via Error Propagation Equation
无
2007-01-01
A new and convenient method is presented to calculate the total sensitivity indices defined by variance-based sensitivity analysis. By decomposing the output variance using error propagation equations, this method can transform the "double-loop" sampling procedure into "single-loop" one and obviously reduce the computation cost of analysis. In contrast with Sobol's and Fourier amplitude sensitivity test (FAST) method, which is limited in non-correlated variables, the new approach is suitable for correlated input variables. An application in semiconductor assembling and test manufacturing (ATM) factory indicates that this approach has a good performance in additive model and simple non-additive model.
Ng, C. N.; Chu, T. P.; Wu, Huasheng; Tong, S. Y.; Huang, Hong
1997-03-01
We compare multiple scattering results of angle-resolved photoelectron diffraction spectra between the exact slab method and the separable propagator perturbation method. In the slab method,footnote C.H. Li, A.R. Lubinsky and S.Y. Tong, Phys. Rev. B17, 3128 (1978). the source wave and multiple scattering within the strong scattering atomic layers are expanded in spherical waves while interlayer scattering is expressed in plane waves. The transformation between spherical waves and plane waves is done exactly. The plane waves are then matched across the solid-vacuum interface to a single outgoing plane wave in the detector's direction. The separable propagator perturbation approach uses two approximations: (i) A separable representation of the Green's function propagator and (ii) A perturbation expansion of multiple scattering terms. Results of c(2x2) S-Ni(001) show that this approximate method fails to converge due to the very slow convergence of the separable representation for scattering angles less than 90^circ. However, this method is accurate in the backscattering regime and may be applied to XAFS calculations.(J.J. Rehr and R.C. Albers, Phys. Rev. B41, 8139 (1990).) The use of this method for angle-resolved photoelectron diffraction spectra is substantially less reliable.
Calculation Model for the Propagation of Audible Noise from High Voltage Transmission Lines
LI Xuebao; CUI Xiang; LU Tiebing; HE Jiamei
2013-01-01
Audible noise from high voltage transmission lines' corona discharge has become one of the decisive factors affecting design of high voltage transmission lines,thus it is very important to study the spatial propagation characteristics of audible noise for its accurate prediction.A calculation model for the propagation of audible noise is presented in this paper,which is based on the basic equation of the sound wave and can involve the influences of the atmosphere absorption and ground effects.The effects of different ground impedances and the atmospheric attenuation on the distribution of sound pressure level are discussed in this paper.The results show that the atmospheric absorption may increase the attenuation of the audible noise,and the ground surface affects both the amplitude and phase of the sound.The spatial distribution fluctuates considering the ground effects.The atmospheric attenuation and the ground effect are closely related to the frequency of the noise.In the frequency range of the audible noise,the influence of atmospheric attenuation on the spatial propagation characteristics is more obvious in high frequency while ground has significant influences in low frequency.
M82 - A radio continuum and polarisation study I. Data reduction and cosmic ray propagation
Adebahr, B; Klein, U; Wezgowiec, M; Bomans, D J; Dettmar, R -J
2012-01-01
The potential role of magnetic fields and cosmic ray propagation for feedback processes in the early Universe can be probed by studies of local starburst counterparts with an equivalent star-formation rate. Archival data from the WSRT was reduced and a new calibration technique introduced to reach the high dynamic ranges needed for the complex source morphology of M82. This data was combined with archival VLA data, yielding total power maps at 3cm, 6cm, 22cm and 92cm. The data shows a confinement of the emission at wavelengths of 3/6cm to the core region and a largely extended halo reaching up to 4kpc away from the galaxy midplane at wavelengths of 22/92cm up to a sensitivity limit of 90muJy and 1.8mJy respectively. The results are used to calculate the magnetic field strength in the core region to 98muG and to 24muG in the halo regions. From the observation of ionisation losses the filling factor of the ionised medium could be estimated to 2%. We find that the radio emission from the core region is dominated...
Kiguchi, M
1999-09-20
The intrinsic error propagation in a technique that uses total reflection geometry for the measurement of chi(3) is calculated. The results show how accurately the parameters should be measured to obtain the chi(3) value with the required precision. The film thickness should be slightly less than the fundamental wavelength to reduce the chi(3) error that propagates from other parameters.
A 5G Hybrid Channel Model Considering Rays and Geometric Stochastic Propagation Graph
Steinböck, Gerhard; Karstensen, Anders; Kyösti, Pekka;
2016-01-01
We consider a ray-tracing tool, in particular the METIS map based model for deterministic simulation of the channel impulse response. The ray-tracing tool is extended by adding a geometric stochastic propagation graph to model additional stochastic paths and the dense multipath components observed...... simplistic, e.g. plain walls and thus neglecting the structures on the building facades, window frames, window sills, etc. Thus in measurements there are often additional components observed that are not captured by these simplistic ray-tracing implementations. In this contribution we introduce a flexible...
Constraints on cosmic-ray propagation models from a global Bayesian analysis
Trotta, R; Moskalenko, I V; Porter, T A; de Austri, R Ruiz; Strong, A W
2010-01-01
Research in many areas of modern physics such as, e.g., indirect searches for dark matter and particle acceleration in SNR shocks, rely heavily on studies of cosmic rays (CRs) and associated diffuse emissions (radio, microwave, X-rays, gamma rays). While very detailed numerical models of CR propagation exist, a quantitative statistical analysis of such models has been so far hampered by the large computational effort that those models require. Although statistical analyses have been carried out before using semi-analytical models (where the computation is much faster), the evaluation of the results obtained from such models is difficult, as they necessarily suffer from many simplifying assumptions, The main objective of this paper is to present a working method for a full Bayesian parameter estimation for a numerical CR propagation model. For this study, we use the GALPROP code, the most advanced of its kind, that uses astrophysical information, nuclear and particle data as input to self-consistently predict ...
Chubar, Oleg; Chu, Yong S.; Kaznatcheev, Konstantine; Yan, Hanfei
2011-09-01
Ultra-low emittance third-generation synchrotron radiation (SR) sources, such as NSLS-II and MAX-IV, will offer excellent opportunities for further development of experimental techniques exploiting X-ray coherence. However, even in these new SR sources, the radiation produced by relativistic electrons (in undulators, wigglers and bending magnets) will remain only partially coherent in the X-ray spectral range. "Extraction" of "coherent portion" of the radiation flux and its transport to sample without loss of coherence must be performed by dedicated SR beamlines, optimized for particular types of experiments. Detailed quantitative prediction of partially coherent X-ray beam properties at propagation through optical elements, which is required for the optimization of such beamlines, can only be obtained from accurate and efficient physical-optics based numerical simulations. Examples of such simulations, made for NSLS-II beamlines, using "Synchrotron Radiation Workshop" (SRW) computer code, are presented. Special attention is paid to the numerical analysis of the basic properties of partially coherent undulator radiation beam and its distinctions from the Gaussian beam. Performance characteristics of importance for particular beamlines, such as radiation spot size and flux at sample vs size of secondary source aperture for high-resolution microscopy beamlines, are predicted by the simulations.
Gamma-ray signatures of cosmic ray acceleration, propagation, and confinement in the era of CTA
Acero, F; Casanova, S; de Cea, E; Wilhelmi, E de Ona; Gabici, S; Gallant, Y; Hadasch, D; Marcowith, A; Pedaletti, G; Reimer, O; Renaud, M; Torres, D F; Volpe, F
2012-01-01
Galactic cosmic rays are commonly believed to be accelerated at supernova remnants via diffusive shock acceleration. Despite the popularity of this idea, a conclusive proof for its validity is still missing. Gamma-ray astronomy provides us with a powerful tool to tackle this problem, because gamma rays are produced during cosmic ray interactions with the ambient gas. The detection of gamma rays from several supernova remnants is encouraging, but still does not constitute a proof of the scenario, the main problem being the difficulty in disentangling the hadronic and leptonic contributions to the emission. Once released by their sources, cosmic rays diffuse in the interstellar medium, and finally escape from the Galaxy. The diffuse gamma-ray emission from the Galactic disk, as well as the gamma-ray emission detected from a few galaxies is largely due to the interactions of cosmic rays in the interstellar medium. On much larger scales, cosmic rays are also expected to permeate the intracluster medium, since the...
Calculation of x-ray scattering patterns from nanocrystals at high x-ray intensity
Abdullah, Malik Muhammad; Son, Sang-Kil; Santra, Robin
2016-01-01
We present a generalized method to describe the x-ray scattering intensity of the Bragg spots in a diffraction pattern from nanocrystals exposed to intense x-ray pulses. Our method involves the subdivision of a crystal into smaller units. In order to calculate the dynamics within every unit we employ a Monte-Carlo (MC)-molecular dynamics (MD)-ab-initio hybrid framework using real space periodic boundary conditions. By combining all the units we simulate the diffraction pattern of a crystal larger than the transverse x-ray beam profile, a situation commonly encountered in femtosecond nanocrystallography experiments with focused x-ray free-electron laser radiation. Radiation damage is not spatially uniform and depends on the fluence associated with each specific region inside the crystal. To investigate the effects of uniform and non-uniform fluence distribution we have used two different spatial beam profiles, gaussian and flattop.
Propagation of statistical and nuclear data uncertainties in Monte Carlo burn-up calculations
Garcia-Herranz, Nuria [Departamento de Ingenieria Nuclear, Universidad Politecnica de Madrid, UPM (Spain)], E-mail: nuria@din.upm.es; Cabellos, Oscar [Departamento de Ingenieria Nuclear, Universidad Politecnica de Madrid, UPM (Spain); Sanz, Javier [Departamento de Ingenieria Energetica, Universidad Nacional de Educacion a Distancia, UNED (Spain); Juan, Jesus [Laboratorio de Estadistica, Universidad Politecnica de Madrid, UPM (Spain); Kuijper, Jim C. [NRG - Fuels, Actinides and Isotopes Group, Petten (Netherlands)
2008-04-15
Two methodologies to propagate the uncertainties on the nuclide inventory in combined Monte Carlo-spectrum and burn-up calculations are presented, based on sensitivity/uncertainty and random sampling techniques (uncertainty Monte Carlo method). Both enable the assessment of the impact of uncertainties in the nuclear data as well as uncertainties due to the statistical nature of the Monte Carlo neutron transport calculation. The methodologies are implemented in our MCNP-ACAB system, which combines the neutron transport code MCNP-4C and the inventory code ACAB. A high burn-up benchmark problem is used to test the MCNP-ACAB performance in inventory predictions, with no uncertainties. A good agreement is found with the results of other participants. This benchmark problem is also used to assess the impact of nuclear data uncertainties and statistical flux errors in high burn-up applications. A detailed calculation is performed to evaluate the effect of cross-section uncertainties in the inventory prediction, taking into account the temporal evolution of the neutron flux level and spectrum. Very large uncertainties are found at the unusually high burn-up of this exercise (800 MWd/kgHM). To compare the impact of the statistical errors in the calculated flux with respect to the cross uncertainties, a simplified problem is considered, taking a constant neutron flux level and spectrum. It is shown that, provided that the flux statistical deviations in the Monte Carlo transport calculation do not exceed a given value, the effect of the flux errors in the calculated isotopic inventory are negligible (even at very high burn-up) compared to the effect of the large cross-section uncertainties available at present in the data files.
HERMES: Simulating the Propagation of Ultra-High Energy Cosmic Rays
De Domenico, Manlio
2013-01-01
The study of ultra-high energy cosmic rays (UHECR) at Earth cannot prescind from the study of their propagation in the Universe. In this paper, we present HERMES, the \\emph{ad hoc} Monte Carlo code we have developed for the realistic simulation of UHECR propagation. We discuss the modeling adopted to simulate the cosmology, the magnetic fields, the interactions with relic photons and the production of secondary particles. In order to show the potential applications of HERMES for astroparticle studies, we provide an estimation of the surviving probability of UHE protons, the GZK horizons of nuclei and the all-particle spectrum observed at Earth in different astrophysical scenarios. Finally, we show the expected arrival direction distribution of UHECR produced from nearby candidate sources. A stable version of HERMES will be released in the next future for public use together with libraries of already propagated nuclei to allow the community to perform mass composition and energy spectrum analysis with our simu...
Optimization of propagation-based x-ray phase-contrast tomography for breast cancer imaging
Baran, P.; Pacile, S.; Nesterets, Y. I.; Mayo, S. C.; Dullin, C.; Dreossi, D.; Arfelli, F.; Thompson, D.; Lockie, D.; McCormack, M.; Taba, S. T.; Brun, F.; Pinamonti, M.; Nickson, C.; Hall, C.; Dimmock, M.; Zanconati, F.; Cholewa, M.; Quiney, H.; Brennan, P. C.; Tromba, G.; Gureyev, T. E.
2017-03-01
The aim of this study was to optimise the experimental protocol and data analysis for in-vivo breast cancer x-ray imaging. Results are presented of the experiment at the SYRMEP beamline of Elettra Synchrotron using the propagation-based phase-contrast mammographic tomography method, which incorporates not only absorption, but also x-ray phase information. In this study the images of breast tissue samples, of a size corresponding to a full human breast, with radiologically acceptable x-ray doses were obtained, and the degree of improvement of the image quality (from the diagnostic point of view) achievable using propagation-based phase-contrast image acquisition protocols with proper incorporation of x-ray phase retrieval into the reconstruction pipeline was investigated. Parameters such as the x-ray energy, sample-to-detector distance and data processing methods were tested, evaluated and optimized with respect to the estimated diagnostic value using a mastectomy sample with a malignant lesion. The results of quantitative evaluation of images were obtained by means of radiological assessment carried out by 13 experienced specialists. A comparative analysis was performed between the x-ray and the histological images of the specimen. The results of the analysis indicate that, within the investigated range of parameters, both the objective image quality characteristics and the subjective radiological scores of propagation-based phase-contrast images of breast tissues monotonically increase with the strength of phase contrast which in turn is directly proportional to the product of the radiation wavelength and the sample-to-detector distance. The outcomes of this study serve to define the practical imaging conditions and the CT reconstruction procedures appropriate for low-dose phase-contrast mammographic imaging of live patients at specially designed synchrotron beamlines.
Modeling of 3D In—Building Propagation by Ray Tracing Technique
GongKe; XuRui
1995-01-01
The modeling of in-building propagation is of great importance for planning of indoor wireless networks.To model the transmission system comprising of transmitter,receiver and dif-ferent kinds of obstacles,ray tracing technique is used by taking a transmitter as a source launch-ing radio rays in different directions,some of these can reach the receiver through different paths with different path loss and delay,adding them together gives out the field strength at the receiv-ing point.Based on this model,computer simulation is carried out to predict the propagation loss and delay spread,it is shown that the simulation agrees well with the experiments.
A Temporal Millimeter Wave Propagation Model for Tunnels Using Ray Frustum Techniques and FFT
Choonghyen Kwon
2014-01-01
Full Text Available A temporal millimeter wave propagation model for tunnels is presented using ray frustum techniques and fast Fourier transform (FFT. To directly estimate or simulate effects of millimeter wave channel properties on the performance of communication services, time domain impulse responses of demodulated signals should be obtained, which needs rather large computation time. To mitigate the computational burden, ray frustum techniques are used to obtain frequency domain transfer function of millimeter wave propagation environment and FFT of equivalent low pass signals are used to retrieve demodulated waveforms. This approach is numerically efficient and helps to directly estimate impact of tunnel structures and surfaces roughness on the performance of millimeter wave communication services.
A 5G Hybrid Channel Model Considering Rays and Geometric Stochastic Propagation Graph
Steinböck, Gerhard; Karstensen, Anders; Kyösti, Pekka
2016-01-01
We consider a ray-tracing tool, in particular the METIS map based model for deterministic simulation of the channel impulse response. The ray-tracing tool is extended by adding a geometric stochastic propagation graph to model additional stochastic paths and the dense multipath components observed...... in measurements. The computational complexity of raytracing typically prohibits the inclusion of the dense multipath component or limits it to the early part of the impulse response. Due to computational reasons and for lack of detailed information is the description of the environment for ray-tracing often very...... simplistic, e.g. plain walls and thus neglecting the structures on the building facades, window frames, window sills, etc. Thus in measurements there are often additional components observed that are not captured by these simplistic ray-tracing implementations. In this contribution we introduce a flexible...
Tracking the density evolution in counter-propagating shock waves using imaging X-ray scattering
Zastrau, U.; Gamboa, E. J.; Kraus, D.; Benage, J. F.; Drake, R. P.; Efthimion, P.; Falk, K.; Falcone, R. W.; Fletcher, L. B.; Galtier, E.; Gauthier, M.; Granados, E.; Hastings, J. B.; Heimann, P.; Hill, K.; Keiter, P. A.; Lu, J.; MacDonald, M. J.; Montgomery, D. S.; Nagler, B.; Pablant, N.; Schropp, A.; Tobias, B.; Gericke, D. O.; Glenzer, S. H.; Lee, H. J.
2016-07-01
We present results from time-resolved X-ray imaging and inelastic scattering on collective excitations. These data are then employed to infer the mass density evolution within laser-driven shock waves. In our experiments, thin carbon foils are first strongly compressed and then driven into a dense state by counter-propagating shock waves. The different measurements agree that the graphite sample is about twofold compressed when the shock waves collide, and a sharp increase in forward scattering indicates disassembly of the sample 1 ns thereafter. We can benchmark hydrodynamics simulations of colliding shock waves by the X-ray scattering methods employed.
Static multiresolution grids with inline hierarchy information for cosmic ray propagation
Müller, Gero
2016-08-01
For numerical simulations of cosmic-ray propagation fast access to static magnetic field data is required. We present a data structure for multiresolution vector grids which is optimized for fast access, low overhead and shared memory use. The hierarchy information is encoded into the grid itself, reducing the memory overhead. Benchmarks show that in certain scenarios the differences in deflections introduced by sampling the magnetic field model can be significantly reduced when using the multiresolution approach.
Implications of X-ray Observations for Electron Acceleration and Propagation in Solar Flares
Holman, Gordon D; Aurass, Henry; Battaglia, Marina; Grigis, Paolo C; Kontar, Eduard P; Liu, Wei; Saint-Hilaire, Pascal; Zharkova, Valentina V
2011-01-01
High-energy X-rays and gamma-rays from solar flares were discovered just over fifty years ago. Since that time, the standard for the interpretation of spatially integrated flare X-ray spectra at energies above several tens of keV has been the collisional thick-target model. After the launch of the Reuven Ramaty High Energy Solar Spectroscopic Imager (RHESSI) in early 2002, X-ray spectra and images have been of sufficient quality to allow a greater focus on the energetic electrons responsible for the X-ray emission, including their origin and their interactions with the flare plasma and magnetic field. The result has been new insights into the flaring process, as well as more quantitative models for both electron acceleration and propagation, and for the flare environment with which the electrons interact. In this article we review our current understanding of electron acceleration, energy loss, and propagation in flares. Implications of these new results for the collisional thick-target model, for general fla...
Wave damping by MHD turbulence and its effect upon cosmic ray propagation in the ISM
Farmer, A J; Farmer, Alison J.; Goldreich, Peter
2004-01-01
Cosmic rays scatter off magnetic irregularities (Alfven waves) with which they are resonant, that is waves of wavelength comparable to their gyroradii. These waves may be generated either by the cosmic rays themselves, if they stream faster than the Alfven speed, or by sources of MHD turbulence. Waves excited by streaming cosmic rays are ideally shaped for scattering, whereas the scattering efficiency of MHD turbulence is severely diminished by its anisotropy. We show that MHD turbulence has an indirect effect on cosmic ray propagation by acting as a damping mechanism for cosmic ray generated waves. The hot (``coronal'') phase of the interstellar medium is the best candidate location for cosmic ray confinement by scattering from self-generated waves. We relate the streaming velocity of cosmic rays to the rate of turbulent dissipation in this medium, for the case in which turbulent damping is the dominant damping mechanism. We conclude that cosmic rays with up to 10^2 GeV could not stream much faster than the ...
Bayesian analysis of cosmic-ray propagation: evidence against homogeneous diffusion
Jóhannesson, G; Vincent, A C; Moskalenko, I V; Orlando, E; Porter, T A; Strong, A W; Trotta, R; Feroz, F; Graff, P; Hobson, M P
2016-01-01
We present the results of the most complete ever scan of the parameter space for cosmic ray (CR) injection and propagation. We perform a Bayesian search of the main GALPROP parameters, using the MultiNest nested sampling algorithm, augmented by the BAMBI neural network machine learning package. This is the first such study to separate out low-mass isotopes ($p$, $\\bar p$ and He) from the usual light elements (Be, B, C, N, O). We find that the propagation parameters that best fit $p$, $\\bar p$, He data are significantly different from those that fit light elements, including the B/C and $^{10}$Be/$^9$Be secondary-to-primary ratios normally used to calibrate propagation parameters. This suggests each set of species is probing a very different interstellar medium, and that the standard approach of calibrating propagation parameters using B/C can lead to incorrect results. We present posterior distributions and best fit parameters for propagation of both sets of nuclei, as well as for the injection abundances of ...
Calculation of x-ray scattering patterns from nanocrystals at high x-ray intensity
Malik Muhammad Abdullah; Zoltan Jurek; Sang-Kil Son; Robin Santra
2016-01-01
We present a generalized method to describe the x-ray scattering intensity of the Bragg spots in a diffraction pattern from nanocrystals exposed to intense x-ray pulses. Our method involves the subdivision of a crystal into smaller units. In order to calculate the dynamics within every unit we employ a Monte-Carlo (MC)-molecular dynamics (MD)-ab-initio hybrid framework using real space periodic boundary conditions. By combining all the units we simulate the diffraction pattern of a crystal la...
Calculation of Bremsstrahlung energy spectrum induced by beta ray
Fukano, S
2003-01-01
Bremsstrahlung energy spectra induced by beta ray from radionuclides sup 3 H, sup 6 sup 3 Ni, sup 1 sup 4 C, sup 1 sup 4 sup 7 Pm, sup 9 sup 0 Sr, sup 3 sup 2 P and sup 9 sup 0 Y are calculated by using numerical data of radiation yield published by Berger et. al. and compared with those obtained from classical approximate expressions of Wu and Segre. The results for sup 3 H, sup 6 sup 3 Ni, sup 1 sup 4 C and sup 1 sup 4 sup 7 Pm are in good agreement with those from Segre's, while spectra from such as sup 3 sup 2 P and sup 9 sup 0 Y are similar to those obtained by using Wu's expression. The result for sup 9 sup 0 Sr is in fair agreement with those from Wu's and Segre's.
Acceleration and Particle Field Interactions of Cosmic Rays II: Calculations
Tawfik, A; Ghoneim, M T; Hady, A
2010-01-01
Based on the generic acceleration model, which suggests different types of electromagnetic interactions between the cosmic charged particles and the different configurations of the electromagnetic (plasma) fields, the ultra high energy cosmic rays are studied. The plasma fields are assumed to vary, spatially and temporally. The well-known Fermi accelerations are excluded. Seeking for simplicity, it is assumed that the energy loss due to different physical processes is negligibly small. The energy available to the plasma sector is calculated in four types of electromagnetic fields. It has been found that the drift in a time--varying magnetic field is extremely energetic. The energy scale widely exceeds the Greisen-Zatsepin-Kuzmin (GZK) cutoff. The polarization drift in a time--varying electric field is also able to raise the energy of cosmic rays to an extreme value. It can be compared with the Hillas mechanism. The drift in a spatially--varying magnetic field is almost as strong as the polarization drift. The...
MCNPX Cosmic Ray Shielding Calculations with the NORMAN Phantom Model
James, Michael R.; Durkee, Joe W.; McKinney, Gregg; Singleterry Robert
2008-01-01
The United States is planning manned lunar and interplanetary missions in the coming years. Shielding from cosmic rays is a critical aspect of manned spaceflight. These ventures will present exposure issues involving the interplanetary Galactic Cosmic Ray (GCR) environment. GCRs are comprised primarily of protons (approx.84.5%) and alpha-particles (approx.14.7%), while the remainder is comprised of massive, highly energetic nuclei. The National Aeronautics and Space Administration (NASA) Langley Research Center (LaRC) has commissioned a joint study with Los Alamos National Laboratory (LANL) to investigate the interaction of the GCR environment with humans using high-fidelity, state-of-the-art computer simulations. The simulations involve shielding and dose calculations in order to assess radiation effects in various organs. The simulations are being conducted using high-resolution voxel-phantom models and the MCNPX[1] Monte Carlo radiation-transport code. Recent advances in MCNPX physics packages now enable simulated transport over 2200 types of ions of widely varying energies in large, intricate geometries. We report here initial results obtained using a GCR spectrum and a NORMAN[3] phantom.
Hackstein, S.; Vazza, F.; Brüggen, M.; Sigl, G.; Dundovic, A.
2016-11-01
We use the CRPROPA code to simulate the propagation of ultrahigh energy cosmic rays (with energy ≥1018eV and pure proton composition) through extragalactic magnetic fields that have been simulated with the cosmological ENZO code. We test both primordial and astrophysical magnetogenesis scenarios in order to investigate the impact of different magnetic field strengths in clusters, filaments and voids on the deflection of cosmic rays propagating across cosmological distances. We also study the effect of different source distributions of cosmic rays around simulated Milky Way-like observers. Our analysis shows that the arrival spectra and anisotropy of events are rather insensitive to the distribution of extragalactic magnetic fields, while they are more affected by the clustering of sources within an ˜50 Mpc distance to observers. Finally, we find that in order to reproduce the observed degree of isotropy of cosmic rays at ˜EeV energies, the average magnetic fields in cosmic voids must be ˜ 0.1 nG, providing limits on the strength of primordial seed fields.
Hackstein, Stefan; Brueggen, Marcus; Sigl, Guenter; Dundovic, Andrej
2016-01-01
We use the CRPropa code to simulate the propagation of ultra high energy cosmic rays (with energy $\\geq 10^{18} \\rm eV$ and pure proton composition) through extragalactic magnetic fields that have been simulated with the cosmological ENZO code.We test both primordial and astrophysical magnetogenesis scenarios in order to investigate the impact of different magnetic field strengths in clusters, filaments and voids on the deflection of cosmic rays propagating across cosmological distances. We also study the effect of different source distributions of cosmic rays around simulated Milky-Way like observers. Our analysis shows that the arrival spectra and anisotropy of events are rather insensitive to the distribution of extragalactic magnetic fields, while they are more affected by the clustering of sources within a $\\sim 50$ Mpc distance to observers. Finally, we find that in order to reproduce the observed degree of isotropy of cosmic rays at $\\sim $ EeV energies, the average magnetic fields in cosmic voids must...
Registration of phase-contrast images in propagation-based X-ray phase tomography.
Weber, L; Hänsch, A; Wolfram, U; Pacureanu, A; Cloetens, P; Peyrin, F; Rit, S; Langer, M
2017-08-16
X-ray phase tomography aims at reconstructing the 3D electron density distribution of an object. It offers enhanced sensitivity compared to attenuation-based X-ray absorption tomography. In propagation-based methods, phase contrast is achieved by letting the beam propagate after interaction with the object. The phase shift is then retrieved at each projection angle, and subsequently used in tomographic reconstruction to obtain the refractive index decrement distribution, which is proportional to the electron density. Accurate phase retrieval is achieved by combining images at different propagation distances. For reconstructions of good quality, the phase-contrast images recorded at different distances need to be accurately aligned. In this work, we characterise the artefacts related to misalignment of the phase-contrast images, and investigate the use of different registration algorithms for aligning in-line phase-contrast images. The characterisation of artefacts is done by a simulation study and comparison with experimental data. Loss in resolution due to vibrations is found to be comparable to attenuation-based computed tomography. Further, it is shown that registration of phase-contrast images is nontrivial due to the difference in contrast between the different images, and the often periodical artefacts present in the phase-contrast images if multilayer X-ray optics are used. To address this, we compared two registration algorithms for aligning phase-contrast images acquired by magnified X-ray nanotomography: one based on cross-correlation and one based on mutual information. We found that the mutual information-based registration algorithm was more robust than a correlation-based method. © 2017 The Authors Journal of Microscopy © 2017 Royal Microscopical Society.
Canestrari, Niccolo; Chubar, Oleg; Reininger, Ruben
2014-09-01
X-ray beamlines in modern synchrotron radiation sources make extensive use of grazing-incidence reflective optics, in particular Kirkpatrick-Baez elliptical mirror systems. These systems can focus the incoming X-rays down to nanometer-scale spot sizes while maintaining relatively large acceptance apertures and high flux in the focused radiation spots. In low-emittance storage rings and in free-electron lasers such systems are used with partially or even nearly fully coherent X-ray beams and often target diffraction-limited resolution. Therefore, their accurate simulation and modeling has to be performed within the framework of wave optics. Here the implementation and benchmarking of a wave-optics method for the simulation of grazing-incidence mirrors based on the local stationary-phase approximation or, in other words, the local propagation of the radiation electric field along geometrical rays, is described. The proposed method is CPU-efficient and fully compatible with the numerical methods of Fourier optics. It has been implemented in the Synchrotron Radiation Workshop (SRW) computer code and extensively tested against the geometrical ray-tracing code SHADOW. The test simulations have been performed for cases without and with diffraction at mirror apertures, including cases where the grazing-incidence mirrors can be hardly approximated by ideal lenses. Good agreement between the SRW and SHADOW simulation results is observed in the cases without diffraction. The differences between the simulation results obtained by the two codes in diffraction-dominated cases for illumination with fully or partially coherent radiation are analyzed and interpreted. The application of the new method for the simulation of wavefront propagation through a high-resolution X-ray microspectroscopy beamline at the National Synchrotron Light Source II (Brookhaven National Laboratory, USA) is demonstrated.
Propagation and Source Energy Spectra of Cosmic-Ray Nuclei at High Energies
Ave, M; Hoeppner, C; Marshall, J; Müller, D
2008-01-01
A recent measurement of the TRACER instrument on long-duration balloon has determined the individual energy spectra of the major primary cosmic-ray nuclei from oxygen (Z=8) to iron (Z=26). The measurements cover a large range of energies and extend to energies beyond 10^14 eV. We investigate if the data set can be described by a simple but plausible model for acceleration and propagation of cosmic rays. The model assumes a power-law energy spectrum at the source with a common spectral index alpha for all nuclear species, and an energy dependent propagation pathlength (Lambda proportional to E^-0.6) combined with an energy-independent residual pathlength Lambda_0. We find that the data can be fit with a fairly soft source spectrum alpha=2.3-2.4), and with a residual pathlength Lambda_0 as high as 0.3 g cm^-2. We discuss this model in the context of other pertinent information, and we determine the relative abundances of the elements at the cosmic-ray source.
Propagation of Nuclear Data Uncertainties for ELECTRA Burn-up Calculations
Sjöstrand, H.; Alhassan, E.; Duan, J.; Gustavsson, C.; Koning, A. J.; Pomp, S.; Rochman, D.; Österlund, M.
2014-04-01
The European Lead-Cooled Training Reactor (ELECTRA) has been proposed as a training reactor for fast systems within the Swedish nuclear program. It is a low-power fast reactor cooled by pure liquid lead. In this work, we propagate the uncertainties in 239Pu transport data to uncertainties in the fuel inventory of ELECTRA during the reactor lifetime using the Total Monte Carlo approach (TMC). Within the TENDL project, nuclear models input parameters were randomized within their uncertainties and 740 239Pu nuclear data libraries were generated. These libraries are used as inputs to reactor codes, in our case SERPENT, to perform uncertainty analysis of nuclear reactor inventory during burn-up. The uncertainty in the inventory determines uncertainties in: the long-term radio-toxicity, the decay heat, the evolution of reactivity parameters, gas pressure and volatile fission product content. In this work, a methodology called fast TMC is utilized, which reduces the overall calculation time. The uncertainty of some minor actinides were observed to be rather large and therefore their impact on multiple recycling should be investigated further. It was also found that, criticality benchmarks can be used to reduce inventory uncertainties due to nuclear data. Further studies are needed to include fission yield uncertainties, more isotopes, and a larger set of benchmarks.
Propagation of nuclear data uncertainties for ELECTRA burn-up calculations
ostrand, H; Duan, J; Gustavsson, C; Koning, A; Pomp, S; Rochman, D; Osterlund, M
2013-01-01
The European Lead-Cooled Training Reactor (ELECTRA) has been proposed as a training reactor for fast systems within the Swedish nuclear program. It is a low-power fast reactor cooled by pure liquid lead. In this work, we propagate the uncertainties in Pu-239 transport data to uncertainties in the fuel inventory of ELECTRA during the reactor life using the Total Monte Carlo approach (TMC). Within the TENDL project the nuclear models input parameters were randomized within their uncertainties and 740 Pu-239 nuclear data libraries were generated. These libraries are used as inputs to reactor codes, in our case SERPENT, to perform uncertainty analysis of nuclear reactor inventory during burn-up. The uncertainty in the inventory determines uncertainties in: the long-term radio-toxicity, the decay heat, the evolution of reactivity parameters, gas pressure and volatile fission product content. In this work, a methodology called fast TMC is utilized, which reduces the overall calculation time. The uncertainty in the ...
Computational Schemes for the Propagation of Ultra High Energy Cosmic Rays
Aloisio, R
2012-01-01
We discuss the problem of ultra high energy particles propagation in astrophysical backgrounds. We present two different computational schemes based on both kinetic and Monte Carlo approaches. The kinetic approach is an analytical computation scheme based on the hypothesis of continuos energy losses while the Monte Carlo scheme takes into account also the stochastic nature of particle interactions. These schemes, that give quite reliable results, enable the computation of fluxes keeping track of the different primary and secondary components, providing a fast and useful workbench to study Ultra High Energy Cosmic Rays.
Axion-like particles and the propagation of gamma rays over astronomical distances
Troitsky, S. V.
2017-01-01
In this mini-review, possible manifestations of mixing between axion-like particles (ALPs) and energetic photons propagating over astronomical distances are considered. We discuss the evidence for the anomalous transparency of the Universe from observations of ensembles of distant gamma-ray sources, present the general formalism for the ALP-photon mixing and explain how this mechanism may remove the anomaly. We present relevant values of ALP parameters and discuss future ways to verify the scenario and to discover the particle in question.
Pan, Zhao; Whitehead, Jared; Thomson, Scott; Truscott, Tadd
2016-08-01
Obtaining pressure field data from particle image velocimetry (PIV) is an attractive technique in fluid dynamics due to its noninvasive nature. The application of this technique generally involves integrating the pressure gradient or solving the pressure Poisson equation using a velocity field measured with PIV. However, very little research has been done to investigate the dynamics of error propagation from PIV-based velocity measurements to the pressure field calculation. Rather than measure the error through experiment, we investigate the dynamics of the error propagation by examining the Poisson equation directly. We analytically quantify the error bound in the pressure field, and are able to illustrate the mathematical roots of why and how the Poisson equation based pressure calculation propagates error from the PIV data. The results show that the error depends on the shape and type of boundary conditions, the dimensions of the flow domain, and the flow type.
Pan, Zhao; Thomson, Scott; Truscott, Tadd
2016-01-01
Obtaining pressure field data from particle image velocimetry (PIV) is an attractive technique in fluid dynamics due to its noninvasive nature. The application of this technique generally involves integrating the pressure gradient or solving the pressure Poisson equation using a velocity field measured with PIV. However, very little research has been done to investigate the dynamics of error propagation from PIV-based velocity measurements to the pressure field calculation. Rather than measure the error through experiment, we investigate the dynamics of the error propagation by examining the Poisson equation directly. We analytically quantify the error bound in the pressure field, and are able to illustrate the mathematical roots of why and how the Poisson equation based pressure calculation propagates error from the PIV data. The results show that the error depends on the shape and type of boundary conditions, the dimensions of the flow domain, and the flow type.
Pan, Zhao; Whitehead, Jared; Thomson, Scott; Truscott, Tadd
2016-08-01
Obtaining pressure field data from particle image velocimetry (PIV) is an attractive technique in fluid dynamics due to its noninvasive nature. The application of this technique generally involves integrating the pressure gradient or solving the pressure Poisson equation using a velocity field measured with PIV. However, very little research has been done to investigate the dynamics of error propagation from PIV-based velocity measurements to the pressure field calculation. Rather than measure the error through experiment, we investigate the dynamics of the error propagation by examining the Poisson equation directly. We analytically quantify the error bound in the pressure field, and are able to illustrate the mathematical roots of why and how the Poisson equation based pressure calculation propagates error from the PIV data. The results show that the error depends on the shape and type of boundary conditions, the dimensions of the flow domain, and the flow type.
Non-linear Cosmic Ray propagation close to the acceleration site
Nava, Lara; Marcowith, Alexandre; Morlino, Giovanni; Ptuskin, Vladimir
2015-01-01
Recent advances on gamma-ray observations from SuperNova Remnants and Molecular Clouds offer the possibility to study in detail the properties of the propagation of escaping Cosmic Rays (CR). However, a complete theory for CR transport outside the acceleration site has not been developed yet. Two physical processes are thought to be relevant to regulate the transport: the growth of waves caused by streaming instability, and possible wave damping mechanisms that reduce the growth of the turbulence. Only a few attempts have been made so far to incorporate these mechanisms in the theory of CR diffusion. In this work we present recent advances in this subject. In particular, we show results obtained by solving the coupled equations for the diffusion of CRs and the evolution of Alfven waves. We discuss the importance of streaming instabilities and wave damping in different ISM phases.
J. Chum
2005-12-01
Full Text Available We investigate the ray trajectories of nonductedly propagating lower-band chorus waves with respect to their initial angle θ_{0}, between the wave vector and ambient magnetic field. Although we consider a wide range of initial angles θ_{0}, in order to be consistent with recent satellite observations, we pay special attention to the intervals of initial angles θ_{0}, for which the waves propagate along the field lines in the source region, i.e. we mainly focus on waves generated with &theta_{0} within an interval close to 0° and on waves generated within an interval close to the Gendrin angle. We demonstrate that the ray trajectories of waves generated within an interval close to the Gendrin angle with a wave vector directed towards the lower L-shells (to the Earth significantly diverge at the frequencies typical for the lower-band chorus. Some of these diverging trajectories reach the topside ionosphere having θ close to 0°; thus, a part of the energy may leak to the ground at higher altitudes where the field lines have a nearly vertical direction. The waves generated with different initial angles are reflected. A small variation of the initial wave normal angle thus very dramatically changes the behaviour of the resulting ray. Although our approach is rather theoretical, based on the ray tracing simulation, we show that the initial angle θ_{0} of the waves reaching the ionosphere (possibly ground is surprisingly close - differs just by several degrees from the initial angles which fits the observation of magnetospherically reflected chorus revealed by CLUSTER satellites. We also mention observations of diverging trajectories on low altitude satellites.
γ-ray Intensity Calculation for Isomeric Transition Decay
2002-01-01
In an isomeric transition (it is called simply IT) decay, electromagnetic radiation of gamma-ray isemitted in the transitions of nucleus from a high exciting state to a lower states and ground state, and anatomic radiation can be emitted as an alternative to gamma-ray emission in the transition of nucleusthrough internal conversion electron (it is called simply Ce) process. In general, the IT decay gamma-rays
Wang, Liang; Xiao, Xia; Kikkawa, Takamaro
2016-12-01
Radar-based ultrawideband (UWB) microwave imaging is expected to be a safe, low-cost tool for breast cancer detection. However, since radar wave travels at different speeds in different tissues, propagation time is hard to be estimated in heterogeneous breast. Wrongly estimated propagation time leads to error of tumor location in resulting image, aka imaging error. In this paper, we develop a magnetic resonance imaging-aided (MRI-aided) propagation time calculation technique which is independent from radar imaging system but can help decrease the imaging error. The technique can eliminate the influence of the rough interface between fat layer and gland layer in breast and get relative accurate thicknesses of two layers. The propagation time in each layer is calculated and summed. The summed propagation time is used in Confocal imaging algorithm to increase the accuracy of resulting image. 25 patients' breast models with glands of varying size are classified into four categories for imaging simulation tests. Imaging accuracy in terms of tumor location along x-direction has been improved for 21 among 25 cases, as a result, overall around 50% improvement compared to conventional UWB imaging.
UHE nuclei propagation and the interpretation of the ankle in the cosmic-ray spectrum
Allard, D; Khan, E; Goriely, S; Olinto, A V
2005-01-01
We consider the stochastic propagation of high-energy protons and nuclei in the cosmological microwave and infrared backgrounds, using revised photonuclear cross-sections and following primary and secondary nuclei in the full 2D nuclear chart. We confirm earlier results showing that the high-energy data can be fit with a pure proton extragalactic cosmic ray (EGCR) component if the source spectrum is \\propto E^{-2.6}. In this case the ankle in the CR spectrum may be interpreted as a pair-production dip associated with the propagation. We show that when heavier nuclei are included in the source with a composition similar to that of Galactic cosmic-rays (GCRs), the pair-production dip is not present unless the proton fraction is higher than 85%. In the mixed composition case, the ankle recovers the past interpretation as the transition from GCRs to EGCRs and the highest energy data can be explained by a harder source spectrum \\propto E^{-2.3} - E^{-2.2}, reminiscent of relativistic shock acceleration predictions...
A Modified Approach for Calculating Dressed Quark Propagator at Finite Chemical Potential
无
2005-01-01
Based on the rainbow approximation of Dyson-Schwinger equation and the assumption that the full inverse quark propagator at finite chemical potential is analytic in the neighborhood of μ = 0, it is proved that the dressed From the dressed quark propagator at finite chemical potential μ can be written as (g0-1)[μ]=iγ·(p~)A((p~2))+B((p~2))with (p~)μ=((p),p4+iμ).From the dressed quark propagator at finite chemical potential in Munczek model the bag constant of a baryon and the scalar quark condensate are evaluated. A comparison with previous results is given.
Development of Monte Carlo decay gamma-ray transport calculation system
Sato, Satoshi [Japan Atomic Energy Research Inst., Naka, Ibaraki (Japan). Naka Fusion Research Establishment; Kawasaki, Nobuo [Fujitsu Ltd., Tokyo (Japan); Kume, Etsuo [Japan Atomic Energy Research Inst., Center for Promotion of Computational Science and Engineering, Tokai, Ibaraki (Japan)
2001-06-01
In the DT fusion reactor, it is critical concern to evaluate the decay gamma-ray biological dose rates after the reactor shutdown exactly. In order to evaluate the decay gamma-ray biological dose rates exactly, three dimensional Monte Carlo decay gamma-ray transport calculation system have been developed by connecting the three dimensional Monte Carlo particle transport calculation code and the induced activity calculation code. The developed calculation system consists of the following four functions. (1) The operational neutron flux distribution is calculated by the three dimensional Monte Carlo particle transport calculation code. (2) The induced activities are calculated by the induced activity calculation code. (3) The decay gamma-ray source distribution is obtained from the induced activities. (4) The decay gamma-rays are generated by using the decay gamma-ray source distribution, and the decay gamma-ray transport calculation is conducted by the three dimensional Monte Carlo particle transport calculation code. In order to reduce the calculation time drastically, a biasing system for the decay gamma-ray source distribution has been developed, and the function is also included in the present system. In this paper, the outline and the detail of the system, and the execution example are reported. The evaluation for the effect of the biasing system is also reported. (author)
Chufeng Hu
2014-01-01
Full Text Available The morphology of vegetation greatly impacts propagation of polarized electromagnetic wave. In order to validate this phenomenon, the mathematical relation between the differential propagation constant of forest vegetation and of its polarized echo is quantitatively derived by using backscattering power profile. The fluctuation of differential propagation constant with frequency is analyzed by combining the morphological characteristics of vegetation. The accurate copolarized data of 3–10 GHz frequency-domain of small trees are obtained by indoor wideband polarimetric measurement system. The results show that morphological characteristics of vegetation at different frequencies can be obtained by the differential propagation constant of polarized electromagnetic wave. At low frequencies, the plants with structural features presented oriented distribution. However, the plants show random distribution of the echoes at higher frequencies, which is mainly from the canopy. The research provides important information to choose the coherence models employed in the parameters retrieval of vegetations.
NEW CALCULATION OF ANTIPROTON PRODUCTION BY COSMIC RAY PROTONS AND NUCLEI
Kachelriess, Michael [Institutt for fysikk, NTNU, NO-7491 Trondheim (Norway); Moskalenko, Igor V.; Ostapchenko, Sergey S. [Hansen Experimental Physics Laboratory and Kavli Institute for Particle Astrophysics and Cosmology, Stanford University, Stanford, CA 94305 (United States)
2015-04-20
A dramatic increase in the accuracy and statistics of space-borne cosmic ray (CR) measurements has yielded several breakthroughs over the last several years. The most puzzling is the rise in the positron fraction above ∼10 GeV over the predictions of the propagation models assuming pure secondary production. The accuracy of the antiproton production cross section is critical for astrophysical applications and searches for new physics since antiprotons in CRs seem to hold the keys to many puzzles including the origin of those excess positrons. However, model calculations of antiproton production in CR interactions with interstellar gas are often employing parameterizations that are out of date or are using outdated physical concepts. This may lead to an incorrect interpretation of antiproton data which could have broad consequences for other areas of astrophysics. In this work, we calculate antiproton production in pp-, pA-, and AA-interactions using EPOS-LHC and QGSJET-II-04, two of the most advanced Monte Carlo (MC) generators tuned to numerous accelerator data including those from the Large Hadron Collider (LHC). We show that the antiproton yields obtained with these MC generators differ by up to an order of magnitude from yields of parameterizations commonly used in astrophysics.
New calculation of antiproton production by cosmic ray protons and nuclei
Kachelriess, Michael; Ostapchenko, Sergey S
2015-01-01
A dramatic increase in the accuracy and statistics of space-borne cosmic ray (CR) measurements has yielded several breakthroughs over the last several years. The most puzzling is the rise in the positron fraction above ~10 GeV over the predictions of the propagation models assuming pure secondary production. The accuracy of the antiproton production cross section is critical for astrophysical applications and searches for new physics since antiprotons in CRs seem to hold the keys to many puzzles including the origin of those excess positrons. However, model calculations of antiproton production in CR interactions with interstellar gas are often employing parameterizations that are out of date or are using outdated physical concepts. That may lead to an incorrect interpretation of antiproton data which could have broad consequences for other areas of astrophysics. In this work, we calculate antiproton production in pp-, pA-, and AA-interactions using EPOS-LHC and QGSJET-II-04, two of the most advanced Monte Ca...
Noise texture and signal detectability in propagation-based x-ray phase-contrast tomography
Chou, Cheng-Ying; Anastasio, Mark A. [Department of Bio-Industrial Mechatronics Engineering, National Taiwan University, 1, Section 4, Roosevelt Road, Taipei, Taiwan 106, Taiwan (China); Department of Biomedical Engineering, Medical Imaging Research Center, Illinois Institute of Technology, 3440 S. Dearborn Street, E1-116, Chicago, Illinois 60616 (United States)
2010-01-15
Purpose: X-ray phase-contrast tomography (PCT) is a rapidly emerging imaging modality for reconstructing estimates of an object's three-dimensional x-ray refractive index distribution. Unlike conventional x-ray computed tomography methods, the statistical properties of the reconstructed images in PCT remain unexplored. The purpose of this work is to quantitatively investigate noise propagation in PCT image reconstruction. Methods: The authors derived explicit expressions for the autocovariance of the reconstructed absorption and refractive index images to characterize noise texture and understand how the noise properties are influenced by the imaging geometry. Concepts from statistical detection theory were employed to understand how the imaging geometry-dependent statistical properties affect the signal detection performance in a signal-known-exactly/background-known-exactly task. Results: The analytical formulas for the phase and absorption autocovariance functions were implemented numerically and compared to the corresponding empirical values, and excellent agreement was found. They observed that the reconstructed refractive images are highly spatially correlated, while the absorption images are not. The numerical results confirm that the strength of the covariance is scaled by the detector spacing. Signal detection studies were conducted, employing a numerical observer. The detection performance was found to monotonically increase as the detector-plane spacing was increased. Conclusions: The authors have conducted the first quantitative investigation of noise propagation in PCT image reconstruction. The reconstructed refractive images were found to be highly spatially correlated, while absorption images were not. This is due to the presence of a Fourier space singularity in the reconstruction formula for the refraction images. The statistical analysis may facilitate the use of task-based image quality measures to further develop and optimize this emerging
X-ray calculations for a NLTE Ar plasma
WU Ze-qing; PANG Jin-qiao; HAN Guo-xing
2004-01-01
A model is developed to calculate emission spectrum of non-local thermodynamic equilibrium(NLTE) plasmas. The Collisional-Radiative model is adopted for non-LTE population calculations. Configuration-averaged rate coefficients that needed in the rate equations are obtained based on the first order perturbation theory. The Hatree-Fock-Slater self-consistent-field method is used to calculate electron wave functions. The present model is applied to the calculation of emissivity from a Ar plasma. The features of the spectra are in good agreement with those calculated by other theoretical models, but the data of the integrated emissivity differ by a factor 2～8.
Multiple phase screen calculation of two-way spherical wave propagation in the ionosphere
Knepp, Dennis L.
2016-04-01
This paper presents a numerical solution to the parabolic wave equation for spherical wave propagation in a disturbed ionosphere. The solution uses the Fourier/split step approach where the propagation medium is modeled using multiple phase-changing screens separated by free space. The phase screens can consist of deterministic or random components describing spatial scales of any size. This solution consists of realizations of the signal (i.e., the ionospheric transfer function) after two-way propagation from a transmitter, through the medium to a target, and back. The transmitter and target can be comprised of multiple, independent point scatterers. The solution is applicable to many propagation problems including synthetic aperture radar and is not subject to the small-scene limitation, where all scatterers in the scene experience identical propagation conditions. Several examples are given illustrating some features of the solution including reciprocity, relationship between one- and two-way (monostatic and bistatic) scintillation index, and reflection from a large target.
Study of the Solar Modulation and Heliospheric Propagation of Galactic Cosmic Rays with AMS-02
Corti, C.; Bindi, V.; Consolandi, C.; Whitman, K.
2014-12-01
AMS-02 is a high-precision general-purpose magnetic spectrometer installed on the International Space Station on May 2011 to investigate fundamental questions shared by physics, astrophysics and cosmology on the origin and structure of the Universe, looking for antimatter and dark matter. The travel of cosmic rays through the heliosphere is disturbed by the magnetic field of the Sun which is known to vary with a period of 11 years; this induces a solar modulation in the propagation of cosmic rays which affects their fluxes up to few tens of GeV, modifying the shape and the intensity of the local interstellar spectrum (LIS). The monthly fluxes of protons detected by AMS-02 in the first three years of data taking will be shown. Using the framework of the force-field approximation, the solar modulation parameter will be extracted from the time dependent proton fluxes measured by AMS-02 (2011-2014) and PAMELA (2006-2009); the proton flux from Voyager 1 (October-November 2012) will be assumed as the LIS. The results will be compared with the modulation parameter inferred from the neutron monitors. The limitations of the force-field approximation and the differences between the minimum and the maximum of the solar cycle will be discussed. The availability of cosmic ray modulation data directly from space will be very useful to the heliophysics community, to understand in more details the long term solar activity during an entire solar cycle.
What is the best method to calculate the solar wind propagation delay?
Mailyan, B. [Yerevan State Univ. (Armenia); Munteanu, C. [Alexandru Ioan Cuza Univ., Iasi (Romania); Haaland, S. [Bergen Univ. (Norway); Max-Planck-Inst. for Solar Systems (Germany)
2008-07-01
We present a statistical study of propagation times of solar wind discontinuities between Advanced Composition Explorer (ACE) spacecraft orbiting the L1 libration point and the Cluster quartet of spacecraft near the Earth's magnetopause. The propagation times for almost 200 events are compared with the predicted times from four different models. The simplest model assumes a constant convective motion of solar wind disturbances along the Sun-Earth line, whereas more sophisticated models take the orientation of the discontinuity as well as the real positions of the solar wind monitor and target into account. The results show that taking orientation and real position of the solar wind monitor and target into account gives a more precise time delay estimation in most cases. In particular, we show that recent modifications to the minimum variance technique can improve the estimation of propagation times of solar wind discontinuities. (orig.)
What is the best method to calculate the solar wind propagation delay?
B. Mailyan
2008-08-01
Full Text Available We present a statistical study of propagation times of solar wind discontinuities between Advanced Composition Explorer (ACE spacecraft orbiting the L1 libration point and the Cluster quartet of spacecraft near the Earth's magnetopause. The propagation times for almost 200 events are compared with the predicted times from four different models. The simplest model assumes a constant convective motion of solar wind disturbances along the Sun-Earth line, whereas more sophisticated models take the orientation of the discontinuity as well as the real positions of the solar wind monitor and target into account. The results show that taking orientation and real position of the solar wind monitor and target into account gives a more precise time delay estimation in most cases. In particular, we show that recent modifications to the minimum variance technique can improve the estimation of propagation times of solar wind discontinuities.
Damping of MHD turbulence in partially ionized plasma: implications for cosmic ray propagation
Xu, Siyao; Lazarian, A
2015-01-01
We study the damping from neutral-ion collisions of both incompressible and compressible magnetohydrodynamic (MHD) turbulence in partially ionized medium. We start from the linear analysis of MHD waves applying both single-fluid and two-fluid treatments. The damping rates derived from the linear analysis are then used in determining the damping scales of MHD turbulence. The physical connection between the damping scale of MHD turbulence and cutoff boundary of linear MHD waves is investigated. Our analytical results are shown to be applicable in a variety of partially ionized interstellar medium (ISM) phases and solar chromosphere. As a significant astrophysical utility, we introduce damping effects to propagation of cosmic rays in partially ionized ISM. The important role of turbulence damping in both transit-time damping and gyroresonance is identified.
Bunk, O. [Koetter Consulting Engineers, Rheine (Germany)
2005-07-01
Wind park noise is calculated on the basis of noise propagation calculations which take into account all sources of noise in the area, i.e. the wind power system as well as industrial and commercial plants in the vicinity if any. They provide the basis for licensing. As wind parks are getting bigger and immission protection laws are getting more complex, authorities also require direct immission measurements for a given site. Further, authorities still receive complaints from citizens about excessive noise. This raises the problem of the accuracy of noise propagation models and the validity of immission measurements, especially in the case of high-altitude noise sources. In order to clarify the problem, KOeTTER Consulting Engineers (KCE) accompanied measuring campaigns by measuring campaigns of their own. The contribution presents first results. (orig.)
Data Calculation of X-Ray Arising From Nuclear Decay
2002-01-01
The x-ray data are relevant in nuclear decay data. In a gamma transition process, gamma transition energy will be transferred directly to an orbital electron in different atomic shells throughelectronic-magnetic interaction. The orbital electrons which have gotten transition energies overcomeatomic-electron binding energy and will emit out from different atomic shells, and leave vacancies. In an
Nesterenok, A. V.; Naidenov, V. O.
2015-12-01
The interaction of primary cosmic rays with the Earth's atmosphere is investigated using the simulation toolkit GEANT4. Two reference lists of physical processes - QGSP_BIC_HP and FTFP_BERT_HP - are used in the simulations of cosmic ray cascade in the atmosphere. The cosmic ray neutron fluxes are calculated for mean level of solar activity, high geomagnetic latitudes and sea level. The calculated fluxes are compared with the published results of other analogous simulations and with experimental data.
Carrano, C. S.; Groves, K. M.; Rino, C. L.; McNeil, W. J.
2016-12-01
Radio occultations (RO) with Global Navigation Satellite System (GNSS) signas have been widely used for remote sensing of tropospheric parameters and to provide ionospheric electron density profiles for the purpose of improving terrestrial and space weather forecasts. Radio occultations have also been used to investigate the morphology of irregularities that cause radio wave scintillation. Spaced-based monitoring of ionospheric irregularities is advantageous because it can be performed continuously and globally, including over ocean regions not easily monitored with ground-based instruments. Nevertheless, the radio propagation path of an occultation through the ionosphere can be very long (up to several thousand km), such that it can be challenging to infer the geographic location and extent of the irregularities from the scintillations they produce. Unlike RO retrievals of slant TEC which are dominated by the contribution near the tangent point, scintillations can be generated by irregularities distributed anywhere along the propagation path between transmitting and receiving satellites. In this paper, we propose a new technique for characterizing and geolocating ionospheric irregularities using radio occultation observations of amplitude scintillation. The approach taken is to solve an inverse problem for the propagation of radio waves through a phase changing screen. Referred to as Irregularity Parameter Estimation (Carrano and Rino, Radio Sci, 2016), this inverse technique estimates the irregularity turbulence strength, spectral index, and Fresnel frequency from measurements of amplitude scintillation. A new model for the effective velocity at which the radio occultation ray-path scans through the irregularity region is used to map the estimated Fresnel frequency to Fresnel spatial scale, which yields the distance from the receiver to the irregularities. Additional geophysical factors such as apex altitude and background electron density along the ray-path can
Zhao, Y.; Ge, Z. Y.; Ma, Y. Y.; Yang, X. H.; Xu, B. B.; Ramis, R.
2017-03-01
X-ray emission from laser irradiating solid target is an important X-ray source for various potential applications. Counter-propagating (C-P) laser beams configuration is proposed to enhance the laser to X-ray conversion efficiency (CE) from laser irradiating solid targets. One-dimensional radiation hydrodynamics simulations show that the total X-ray CE for the C-P lasers case is as high as 65%, which has a 13% improvement compared with the single laser case. The improvement is mainly caused by the enlarged radiation region, and the enhancement of X-ray emission is from soft X-ray. Detailed energy term distributions and influences of the foil thickness on the X-ray CEs for both cases are presented. It is found that the enhancement of radiation is attributed to lower thermal and kinetic energy of the C-P lasers scheme.
Ray-Based Calculations with DEPLETE of Laser Backscatter in ICF Targets
Strozzi, D J; Williams, E; Hinkel, D; Froula, D; London, R; Callahan, D
2008-05-19
A steady-state model for Brillouin and Raman backscatter along a laser ray path is presented. The daughter plasma waves are treated in the strong damping limit, and have amplitudes given by the (linear) kinetic response to the ponderomotive drive. Pump depletion, inverse-bremsstrahlung damping, bremsstrahlung emission, Thomson scattering off density fluctuations, and whole-beam focusing are included. The numerical code Deplete, which implements this model, is described. The model is compared with traditional linear gain calculations, as well as 'plane-wave' simulations with the paraxial propagation code pF3D. Comparisons with Brillouin-scattering experiments at the Omega Laser Facility show that laser speckles greatly enhance the reflectivity over the Deplete results. An approximate upper bound on this enhancement is given by doubling the Deplete coupling coefficient. Analysis with Deplete of an ignition design for the National Ignition Facility (NIF), with a peak radiation temperature of 285 eV, shows encouragingly low reflectivity. Doubling the coupling to bracket speckle effects suggests a less optimistic picture. Re-absorption of Raman light is seen to be significant in this design.
High performance dosimetry calculations using adapted ray-tracing
Perrotte, Lancelot; Saupin, Guillaume
2010-11-01
When preparing interventions on nuclear sites, it is interesting to study different scenarios, to identify the most appropriate one for the operator(s). Using virtual reality tools is a good way to simulate the potential scenarios. Thus, taking advantage of very efficient computation times can help the user studying different complex scenarios, by immediately evaluating the impact of any changes. In the field of radiation protection, people often use computation codes based on the straight line attenuation method with build-up factors. As for other approaches, geometrical computations (finding all the interactions between radiation rays and the scene objects) remain the bottleneck of the simulation. We present in this paper several optimizations used to speed up these geometrical computations, using innovative GPU ray-tracing algorithms. For instance, we manage to compute every intersectionbetween 600 000 rays and a huge 3D industrial scene in a fraction of second. Moreover, our algorithm works the same way for both static and dynamic scenes, allowing easier study of complex intervention scenarios (where everything moves: the operator(s), the shielding objects, the radiation sources).
Propagation of nuclear data uncertainties for ELECTRA burn-up calculations
Sjöstrand, Henrik; Alhassan, Erwin; Duan, Junfeng; Gustavsson, Cecilia; KONING Arjan J.; Pomp, Stephan; Rochman, Dimitri; Österlund, Michael
2013-01-01
The European Lead-Cooled Training Reactor (ELECTRA) has been proposed as a training reactor for fast systems within the Swedish nuclear program. It is a low-power fast reactor cooled by pure liquid lead. In this work, we propagate the uncertainties in Pu-239 transport data to uncertainties in the fuel inventory of ELECTRA during the reactor life using the Total Monte Carlo approach (TMC). Within the TENDL project the nuclear models input parameters were randomized within their uncertainties a...
Han, Gi Young; Seo, Bo Kyun [Korea Institute of Nuclear Safety,, Daejeon (Korea, Republic of); Kim, Do Hyun; Shin, Chang Ho; Kim, Song Hyun [Dept. of Nuclear Engineering, Hanyang University, Seoul (Korea, Republic of); Sun, Gwang Min [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)
2016-06-15
In analyzing residual radiation, researchers generally use a two-step Monte Carlo (MC) simulation. The first step (MC1) simulates neutron transport, and the second step (MC2) transports the decay photons emitted from the activated materials. In this process, the stochastic uncertainty estimated by the MC2 appears only as a final result, but it is underestimated because the stochastic error generated in MC1 cannot be directly included in MC2. Hence, estimating the true stochastic uncertainty requires quantifying the propagation degree of the stochastic error in MC1. The brute force technique is a straightforward method to estimate the true uncertainty. However, it is a costly method to obtain reliable results. Another method, called the adjoint-based method, can reduce the computational time needed to evaluate the true uncertainty; however, there are limitations. To address those limitations, we propose a new strategy to estimate uncertainty propagation without any additional calculations in two-step MC simulations. To verify the proposed method, we applied it to activation benchmark problems and compared the results with those of previous methods. The results show that the proposed method increases the applicability and user-friendliness preserving accuracy in quantifying uncertainty propagation. We expect that the proposed strategy will contribute to efficient and accurate two-step MC calculations.
Neutron and gamma ray transport calculations in shielding system
Masukawa, Fumihiro; Sakamoto, Hiroki [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment
1998-03-01
In the shields for radiation in nuclear facilities, the penetrating holes of various kinds and irregular shapes are made for the reasons of operation, control and others. These penetrating holes and gaps are filled with air or the substances with relatively small shielding performance, and radiation flows out through them, which is called streaming. As the calculation techniques for the shielding design or analysis related to the streaming problem, there are the calculations by simplified evaluation, transport calculation and Monte Carlo method. In this report, the example of calculation by Monte Carlo method which is represented by MCNP code is discussed. A number of variance reduction techniques which seem effective for the analysis of streaming problem were tried. As to the investigation of the applicability of MCNP code to streaming analysis, the object of analysis which are the concrete walls without hole and with horizontal hole, oblique hole and bent oblique hole, the analysis procedure, the composition of concrete, and the conversion coefficient of dose equivalent, and the results of analysis are reported. As for variance reduction technique, cell importance was adopted. (K.I.)
Using MCBEND for neutron or gamma-ray deterministic calculations
Geoff, Dobson; Adam, Bird; Brendan, Tollit; Paul, Smith
2017-09-01
MCBEND 11 is the latest version of the general radiation transport Monte Carlo code from AMEC Foster Wheeler's ANSWERS® Software Service. MCBEND is well established in the UK shielding community for radiation shielding and dosimetry assessments. MCBEND supports a number of acceleration techniques, for example the use of an importance map in conjunction with Splitting/Russian Roulette. MCBEND has a well established automated tool to generate this importance map, commonly referred to as the MAGIC module using a diffusion adjoint solution. This method is fully integrated with the MCBEND geometry and material specification, and can easily be run as part of a normal MCBEND calculation. An often overlooked feature of MCBEND is the ability to use this method for forward scoping calculations, which can be run as a very quick deterministic method. Additionally, the development of the Visual Workshop environment for results display provides new capabilities for the use of the forward calculation as a productivity tool. In this paper, we illustrate the use of the combination of the old and new in order to provide an enhanced analysis capability. We also explore the use of more advanced deterministic methods for scoping calculations used in conjunction with MCBEND, with a view to providing a suite of methods to accompany the main Monte Carlo solver.
Cosmic-ray propagation at small scale: a support for protostellar disc formation
Padovani, Marco; Hennebelle, Patrick; Commercon, Benoît; Joos, Marc
2015-01-01
As long as magnetic fields remain frozen into the gas, the magnetic braking prevents the formation of protostellar discs. This condition is subordinate to the ionisation fraction characterising the inmost parts of a collapsing cloud. The ionisation level is established by the number and the energy of the cosmic rays able to reach these regions. Adopting the method developed in our previous studies, we computed how cosmic rays are attenuated as a function of column density and magnetic field strength. We applied our formalism to low- and high-mass star formation models obtained by numerical simulations of gravitational collapse that include rotation and turbulence. In general, we found that the decoupling between gas and magnetic fields, condition allowing the collapse to go ahead, occurs only when the cosmic-ray attenuation is taken into account with respect to a calculation in which the cosmic-ray ionisation rate is kept constant. We also found that the extent of the decoupling zone also depends on the dust ...
Westphal, Maximillian; Lim, Sara; Nahar, Sultana; Pradhan, Anil
2016-05-01
Aimed at monochromatic X-ray imaging and therapy, broadband, monochromatic, and quasi-monochromatic X-ray sources and propagation through low and high-Z (HZ) media were studied with numerically and experimentally. Monte Carlo simulations were performed using the software package Geant4, and a new code Photx, to simulate X-ray image contrast, depth of penetration, and total attenuation. The data show that monochromatic and quasi-monochromatic X-rays achieve improved contrast at lower absorbed radiation doses compared to conventional broadband 120 kV or CT scans. Experimental quasi-monochromatic high-intensity laser-produced plasma sources and monochromatic synchrotron beam data are compared. Physical processes responsible for X-ray photoexcitation and absorption are numerically modelled, including a novel mechanism for accelerating Kα resonance fluorescence via twin monochromatic X-ray beam. Potential applications are medical diagnostics and high-Z material detection. Acknowledgement: Ohio Supercomputer Center, Columbus, OH.
Díez, C. J.; Cabellos, O.; Martínez, J. S.
2015-01-01
Several approaches have been developed in last decades to tackle nuclear data uncertainty propagation problems of burn-up calculations. One approach proposed was the Hybrid Method, where uncertainties in nuclear data are propagated only on the depletion part of a burn-up problem. Because only depletion is addressed, only one-group cross sections are necessary, and hence, their collapsed one-group uncertainties. This approach has been applied successfully in several advanced reactor systems like EFIT (ADS-like reactor) or ESFR (Sodium fast reactor) to assess uncertainties on the isotopic composition. However, a comparison with using multi-group energy structures was not carried out, and has to be performed in order to analyse the limitations of using one-group uncertainties.
K-alpha X-rays from cosmic ray oxygen. [Detection and calculation of equilibrium charge fractions
Pravdo, S. H.; Boldt, E. A.
1975-01-01
Equilibrium charge fractions are calculated for subrelativistic cosmic ray oxygen ions in the interstellar medium. These are used to determine the expected flux of K-alpha rays arising from atomic processes for a number of different postulated interstellar oxygen spectra. Relating these results to the diffuse X-ray background measured at the appropriate energy level suggests an observable line feature. If the flux of low energy cosmic ray oxygen is sufficiently large, K-alpha X-ray line emission from these nuclei will comprise a significant fraction of the total diffuse flux at approximately 0.6 keV. A satellite borne detector with a resolution greater than 30 percent could observe this feature if the subrelativistic interstellar cosmic ray oxygen spectrum is as large as certain theoretical estimates expressed in the text.
Sonic Boom Pressure Signature Uncertainty Calculation and Propagation to Ground Noise
West, Thomas K., IV; Bretl, Katherine N.; Walker, Eric L.; Pinier, Jeremy T.
2015-01-01
The objective of this study was to outline an approach for the quantification of uncertainty in sonic boom measurements and to investigate the effect of various near-field uncertainty representation approaches on ground noise predictions. These approaches included a symmetric versus asymmetric uncertainty band representation and a dispersion technique based on a partial sum Fourier series that allows for the inclusion of random error sources in the uncertainty. The near-field uncertainty was propagated to the ground level, along with additional uncertainty in the propagation modeling. Estimates of perceived loudness were obtained for the various types of uncertainty representation in the near-field. Analyses were performed on three configurations of interest to the sonic boom community: the SEEB-ALR, the 69o DeltaWing, and the LM 1021-01. Results showed that representation of the near-field uncertainty plays a key role in ground noise predictions. Using a Fourier series based dispersion approach can double the amount of uncertainty in the ground noise compared to a pure bias representation. Compared to previous computational fluid dynamics results, uncertainty in ground noise predictions were greater when considering the near-field experimental uncertainty.
High-energy cosmic ray fluxes in the Earth atmosphere: calculations vs experiments
Kochanov, A A; Sinegovsky, S I
2008-01-01
A new calculation of the atmospheric fluxes of cosmic-ray hadrons and muons in the energy range 10-10^5 GeV has been performed for the set of hadron production models, EPOS 1.6, QGSJET II-03, SIBYLL 2.1, and others that are of interest to cosmic ray physicists. The fluxes of secondary cosmic rays at several levels in the atmosphere are computed using directly data of the ATIC-2, GAMMA experiments, and the model proposed recently by Zatsepin and Sokolskaya as well as the parameterization of the primary cosmic ray spectrum by Gaisser and Honda. The calculated energy spectra of the hadrons and muon flux as a function of zenith angle are compared with measurements as well as other calculations. The effect of uncertainties both in the primary cosmic ray flux and hadronic model predictions on the spectra of atmospheric hadrons and muons is considered.
Asada, Kazuo (Mitsubishi Heavy Industries Ltd., Tokyo (Japan)); Fukuoka, Hidekazu
1992-11-01
Decreasing characteristics of both stress and stress gradient with propagation distance at a 2-dimensional linear viscoelasticity wavefront are derived by using our 3-dimensional theoretical equation for particle velocity discontinuities. By finite-element method code DYNA3D, stress at a noncurvature dilatation wavefront of linear viscoelasticity is shown to decrease exponentially. This result is in good accordance with our theory. By dynamic photoelasticity experiment, stress gradients of urethane rubber plates at 3 types of wavefronts are shown to decrease exponentially at a noncurvature wavefront and are shown to be a decreasing function of (1/[radical]R) exp ([alpha][sub 1][sup 2]/(2[alpha][sub 0][sup 3][xi])) at a curvature wavefront. These experiment results are in good accordance with our theory. (author).
Ray-Based Statistical Propagation Modeling for Indoor Corridor Scenarios at 15 GHz
Qi Wang
2016-01-01
Full Text Available According to the demands for fifth-generation (5G communication systems, high frequency bands (above 6 GHz need to be adopted to provide additional spectrum. This paper investigates the characteristics of indoor corridor channels at 15 GHz. Channel measurements with a vector network analyzer in two corridors were conducted. Based on a ray-optical approach, a deterministic channel model covering both antenna and propagation characteristic is presented. The channel model is evaluated by comparing simulated results of received power and root mean square delay spread with the corresponding measurements. By removing the impact of directional antennas from the transmitter and receiver, a path loss model as well as small-scale fading properties for typical corridors is presented based on the generated samples from the deterministic model. Results show that the standard deviation of path loss variation is related to the Tx height, and placing the Tx closer to the ceiling leads to a smaller fluctuation of path loss.
Blanchard, Frank N.
1980-01-01
Describes a FORTRAN IV program written to supplement a laboratory exercise dealing with quantitative x-ray diffraction analysis of mixtures of polycrystalline phases in an introductory course in x-ray diffraction. Gives an example of the use of the program and compares calculated and observed calibration data. (Author/GS)
Blanchard, Frank N.
1980-01-01
Describes a FORTRAN IV program written to supplement a laboratory exercise dealing with quantitative x-ray diffraction analysis of mixtures of polycrystalline phases in an introductory course in x-ray diffraction. Gives an example of the use of the program and compares calculated and observed calibration data. (Author/GS)
Boyd, O.S.
2006-01-01
We have created a second-order finite-difference solution to the anisotropic elastic wave equation in three dimensions and implemented the solution as an efficient Matlab script. This program allows the user to generate synthetic seismograms for three-dimensional anisotropic earth structure. The code was written for teleseismic wave propagation in the 1-0.1 Hz frequency range but is of general utility and can be used at all scales of space and time. This program was created to help distinguish among various types of lithospheric structure given the uneven distribution of sources and receivers commonly utilized in passive source seismology. Several successful implementations have resulted in a better appreciation for subduction zone structure, the fate of a transform fault with depth, lithospheric delamination, and the effects of wavefield focusing and defocusing on attenuation. Companion scripts are provided which help the user prepare input to the finite-difference solution. Boundary conditions including specification of the initial wavefield, absorption and two types of reflection are available. ?? 2005 Elsevier Ltd. All rights reserved.
X-ray tube output based calculation of patient entrance surface dose: validation of the method
Harju, O.; Toivonen, M.; Tapiovaara, M.; Parviainen, T. [Radiation and Nuclear Safety Authority, Helsinki (Finland)
2003-06-01
X-ray departments need methods to monitor the doses delivered to the patients in order to be able to compare their dose level to established reference levels. For this purpose, patient dose per radiograph is described in terms of the entrance surface dose (ESD) or dose-area product (DAP). The actual measurement is often made by using a DAP-meter or thermoluminescent dosimeters (TLD). The third possibility, the calculation of ESD from the examination technique factors, is likely to be a common method for x-ray departments that do not have the other methods at their disposal or for examinations where the dose may be too low to be measured by the other means (e.g. chest radiography). We have developed a program for the determination of ESD by the calculation method and analysed the accuracy that can be achieved by this indirect method. The program calculates the ESD from the current time product, x-ray tube voltage, beam filtration and focus- to-skin distance (FSD). Additionally, for calibrating the dose calculation method and thereby improving the accuracy of the calculation, the x-ray tube output should be measured for at least one x-ray tube voltage value in each x-ray unit. The aim of the present work is to point out the restrictions of the method and details of its practical application. The first experiences from the use of the method will be summarised. (orig.)
Calculations of the hurricane eye motion based on singularity propagation theory
Vladimir Danilov
2002-02-01
Full Text Available We discuss the possibility of using calculating singularities to forecast the dynamics of hurricanes. Our basic model is the shallow-water system. By treating the hurricane eye as a vortex type singularity and truncating the corresponding sequence of Hugoniot type conditions, we carry out many numerical experiments. The comparison of our results with the tracks of three actual hurricanes shows that our approach is rather fruitful.
Islam, M J; Reza, A W; Kausar, A S M Z; Ramiah, H
2014-01-01
The advent of technology with the increasing use of wireless network has led to the development of Wireless Body Area Network (WBAN) to continuously monitor the change of physiological data in a cost efficient manner. As numerous researches on wave propagation characterization have been done in intrabody communication, this study has given emphasis on the wave propagation characterization between the control units (CUs) and wireless access point (AP) in a hospital scenario. Ray tracing is a tool to predict the rays to characterize the wave propagation. It takes huge simulation time, especially when multiple transmitters are involved to transmit physiological data in a realistic hospital environment. Therefore, this study has developed an accelerated ray tracing method based on the nearest neighbor cell and prior knowledge of intersection techniques. Beside this, Red-Black tree is used to store and provide a faster retrieval mechanism of objects in the hospital environment. To prove the superiority, detailed complexity analysis and calculations of reflection and transmission coefficients are also presented in this paper. The results show that the proposed method is about 1.51, 2.1, and 2.9 times faster than the Object Distribution Technique (ODT), Space Volumetric Partitioning (SVP), and Angular Z-Buffer (AZB) methods, respectively. To show the various effects on received power in 60 GHz frequency, few comparisons are made and it is found that on average -9.44 dBm, -8.23 dBm, and -9.27 dBm received power attenuations should be considered when human, AP, and CU move in a given hospital scenario.
M. J. Islam
2014-01-01
Full Text Available The advent of technology with the increasing use of wireless network has led to the development of Wireless Body Area Network (WBAN to continuously monitor the change of physiological data in a cost efficient manner. As numerous researches on wave propagation characterization have been done in intrabody communication, this study has given emphasis on the wave propagation characterization between the control units (CUs and wireless access point (AP in a hospital scenario. Ray tracing is a tool to predict the rays to characterize the wave propagation. It takes huge simulation time, especially when multiple transmitters are involved to transmit physiological data in a realistic hospital environment. Therefore, this study has developed an accelerated ray tracing method based on the nearest neighbor cell and prior knowledge of intersection techniques. Beside this, Red-Black tree is used to store and provide a faster retrieval mechanism of objects in the hospital environment. To prove the superiority, detailed complexity analysis and calculations of reflection and transmission coefficients are also presented in this paper. The results show that the proposed method is about 1.51, 2.1, and 2.9 times faster than the Object Distribution Technique (ODT, Space Volumetric Partitioning (SVP, and Angular Z-Buffer (AZB methods, respectively. To show the various effects on received power in 60 GHz frequency, few comparisons are made and it is found that on average −9.44 dBm, −8.23 dBm, and −9.27 dBm received power attenuations should be considered when human, AP, and CU move in a given hospital scenario.
Propagation and scattering of high-intensity X-ray pulses in dense atomic gases and plasmas
Weninger, Clemens
2015-10-15
scattering signal can thus be amplified by several orders of magnitude. To study stimulated X-ray emission a generalized one-dimensional Maxwell-Bloch model is developed. The radiation is propagated through the medium with the help of the Maxwell equations and the radiation is coupled to the atomic system via the polarization. The atomic system is treated in the density matrix formalism and the time evolution of the coherences determine the polarization of the medium.
刘承宜; 郭弘; 付喜泉; 胡巍; 喻松
2001-01-01
By starting with the Maxwell theory of x-ray laser propagation in collisionless plasmas, we study the phase difference of the probe and reference beams of x-ray laser interferometry in measuring the plasma electron density. The basic idea is to reduce the Maxwell equation to a Schrodinger-like equation. By using the quantum mechanical technique and introducing a novel picture, we obtain a modified relation between the phase and the electron density, where the phase corresponds to the interference of probe and reference light and the contribution of gradient of the electron density has been taken into account.
Zijffers, J.F.; Janssen, M.G.J.; Tramper, J.; Wijffels, R.H.; Salim, S.
2008-01-01
The Green Solar Collector (GSC), a photobioreactor designed for area efficient outdoor cultivation of microalgae uses Fresnel lenses and light guides to focus, transport and distribute direct light into the algae suspension. Calculating the path of rays of light, so-called ray tracing, is used to de
Zijffers, J.F.; Janssen, M.G.J.; Tramper, J.; Wijffels, R.H.; Salim, S.
2008-01-01
The Green Solar Collector (GSC), a photobioreactor designed for area efficient outdoor cultivation of microalgae uses Fresnel lenses and light guides to focus, transport and distribute direct light into the algae suspension. Calculating the path of rays of light, so-called ray tracing, is used to de
Fast method of calculating a photorealistic hologram based on orthographic ray-wavefront conversion.
Igarashi, Shunsuke; Nakamura, Tomoya; Yamaguchi, Masahiro
2016-04-01
A computer-generated hologram based on ray-wavefront conversion can reconstruct photorealistic three-dimensional (3D) images containing deep virtual objects and complicated physical phenomena; however, the required computational cost has been a problem that needs to be solved. In this Letter, we introduce the concept of an orthographic projection in the ray-wavefront conversion technique for reducing the computational cost without degrading the image quality. In the proposed method, plane waves with angular spectra of the object are obtained via orthographic ray sampling and Fourier transformation, and only the plane waves incident on the hologram plane are numerically propagated. We verified this accelerated computational method theoretically and experimentally, and demonstrated optical reconstruction of a deep 3D image in which the effects of occlusions, transmission, refraction, and reflection were faithfully reproduced.
Monte Carlo calculations of relativistic solar proton propagation in interplanetary space
Lumme, M.; Torsti, J. J.; Vainikka, E.; Peltonen, J.; Nieminen, M.; Valtonen, E.; Arvelta, H.
1985-01-01
Particle fluxes and pitch angle distributions of relativistic solar protons at 1 AU were determined by Monte Carlo calculations. The analysis covers two hours after the release of the particles from the Sun and total of eight 100000 particle trajectories were simulated. The pitch angle scattering was assumed to be isotropic ad the scattering mean free path was varied from 0.1 to 4 AU. As an application, the solar injection time and interplanetary scattering mean free path of particles that gave rise to the GLE on May, 1978 were determined. Assuming exponential form, the injection decay time was found to be about 11 minutes. The m.f.p. of pitch angle scattering during the event was about 1 AU.
Karppinen, J
1997-10-01
The new annual radiation dose limits - 20 mSv (previously 50 mSv) for radiation workers and 1 mSv (previously 5 mSv) for other persons - implies that the adequacy of existing radiation shielding must be re-evaluated. In principle, one could assume that the thicknesses of old radiation shields should be increased by about one or two half-value layers in order to comply with the new dose limits. However, the assumptions made in the earlier shielding calculations are highly conservative; the required shielding was often determined by applying the maximum high-voltage of the x-ray tube for the whole workload. A more realistic calculation shows that increased shielding is typically not necessary if more practical x-ray tube voltages are used in the evaluation. We have developed a PC-based calculation method for calculating the x-ray shielding which is more realistic than the highly conservative method formerly used. The method may be used to evaluate an existing shield for compliance with new regulations. As examples of these calculations, typical x-ray rooms are considered. The lead and concrete thickness requirements as a function of x-ray tube voltage and workload are also given in tables. (author) 18 refs.
Karppinen, J
1997-10-01
The new annual radiation dose limits - 20 mSv (previously 50 mSv) for radiation workers and 1 mSv (previously 5 mSv) for other persons - implies that the adequacy of existing radiation shielding must be re-evaluated. In principle, one could assume that the thicknesses of old radiation shields should be increased by about one or two half-value layers in order to comply with the new dose limits. However, the assumptions made in the earlier shielding calculations are highly conservative; the required shielding was often determined by applying the maximum high-voltage of the x-ray tube for the whole workload. A more realistic calculation shows that increased shielding is typically not necessary if more practical x-ray tube voltages are used in the evaluation. We have developed a PC-based calculation method for calculating the x-ray shielding which is more realistic than the highly conservative method formerly used. The method may be used to evaluate an existing shield for compliance with new regulations. As examples of these calculations, typical x-ray rooms are considered. The lead and concrete thickness requirements as a function of x-ray tube voltage and workload are also given in tables. (author) 18 refs.
Guideline of Monte Carlo calculation. Neutron/gamma ray transport simulation by Monte Carlo method
2002-01-01
This report condenses basic theories and advanced applications of neutron/gamma ray transport calculations in many fields of nuclear energy research. Chapters 1 through 5 treat historical progress of Monte Carlo methods, general issues of variance reduction technique, cross section libraries used in continuous energy Monte Carlo codes. In chapter 6, the following issues are discussed: fusion benchmark experiments, design of ITER, experiment analyses of fast critical assembly, core analyses of JMTR, simulation of pulsed neutron experiment, core analyses of HTTR, duct streaming calculations, bulk shielding calculations, neutron/gamma ray transport calculations of the Hiroshima atomic bomb. Chapters 8 and 9 treat function enhancements of MCNP and MVP codes, and a parallel processing of Monte Carlo calculation, respectively. An important references are attached at the end of this report.
Westphal, Maximillian S.; Lim, Sara N.; Nahar, Sultana N.; Chowdhury, Enam; Pradhan, Anil K.
2017-08-01
With the advent of monochromatic and quasi-monochromatic x-ray sources, we explore their potential with computational and experimental studies on propagation through a combination of low and high-Z (atomic number) media for applications to imaging and detection. The multi-purpose code GEANT4 and a new code PHOTX are employed in numerical simulations, and a variety of x-ray sources are considered: conventional broadband devices with well-known spectra, quasi-monochromatic laser driven sources, and monochromatic synchrotron x-rays. Phantom samples consisting of layers of low-Z and high-Z material are utilized, with atomic-molecular species ranging from H2O to gold. Differential and total attenuation of x-ray fluxes from the different x-ray sources are illustrated through simulated x-ray images. Main conclusions of this study are: I. It is shown that a 65 keV Gaussian quasi-monochromatic source is capable of better contrast with less radiation exposure than a common 120 kV broadband simulator. II. A quantitative measure is defined and computed as a metric to compare the efficacy of any two x-ray sources, as a function of concentration of high-Z moieties in predominantly low-Z environment and depth of penetration. III. Characteristic spectral features of \
Sparrow, Victor W.; Pierce, Allan D.
1992-01-01
A theory which gives statistical predictions for how often sonic booms propagating through the earth's turbulent boundary layer will encounter caustics, given the spectral properties of the atmospheric turbulence, is outlined. The theory is simple but approximately accounts for the variation of ray tube areas along ray paths. This theory predicts that the variation of ray tube areas is determined by the product of two similar area factors, psi (x) and phi (x), each satisfying a generic harmonic oscillator equation. If an area factor increases the peak acoustic pressure decreases, and if the factor decreases the peak acoustic pressure increases. Additionally, if an area factor decreases to zero and becomes negative, the ray has propagated through a caustic, which contributes a phase change of 90 degrees to the wave. Thus, it is clear that the number of times that a sonic boom wave passes through a caustic should be related to the distorted boom waveform received on the ground. Examples are given based on a characterization of atmospheric turbulence due to the structure function of Tatarski as modified by Crow.
Calculations of gamma-ray spectral profiles of linear alkanes in the positron annihilation process
Ma, X G
2014-01-01
The positron-electron annihilation gamma-ray spectra of linear alkanes CnH2n+2 (n=1-12) have been studied systematically. A profile quality (PQ) parameter, is introduced to assess the agreement between the obtained theoretical profiles and the experimental measurements in the entire region of energy shift of the spectra. Together with the Doppler shift of the gamma-ray spectra, the two parameters,PQ and Doppler shift, are able to provide a more comprehensive assessment of the calculated gamma-ray spectra with respect to available experiment. Applying the recently developed docking model, the present study determines the positrophilic electrons for individual alkanes from which the gamma-ray spectral profiles are calculated. The results achieve an excellent agreement with experiment, not only with respect to the Doppler shift, but also with respect to the gamma-ray profiles in the photon energy region up to 5 keV. The study further calculates the gamma-ray spectra of other linear alkanes in the series without ...
Efficient electronic structure calculation for molecular ionization dynamics at high x-ray intensity
Yajiang Hao
2015-07-01
Full Text Available We present the implementation of an electronic-structure approach dedicated to ionization dynamics of molecules interacting with x-ray free-electron laser (XFEL pulses. In our scheme, molecular orbitals for molecular core-hole states are represented by linear combination of numerical atomic orbitals that are solutions of corresponding atomic core-hole states. We demonstrate that our scheme efficiently calculates all possible multiple-hole configurations of molecules formed during XFEL pulses. The present method is suitable to investigate x-ray multiphoton multiple ionization dynamics and accompanying nuclear dynamics, providing essential information on the chemical dynamics relevant for high-intensity x-ray imaging.
First Principles Calculations for X-ray Resonant Spectra and Elastic Properties
Lee, Yongbin [Iowa State Univ., Ames, IA (United States)
2004-01-01
In this thesis, we discuss applications of first principles methods to x-ray resonant spectra and elastic properties calculation. We start with brief reviews about theoretical background of first principles methods, such as density functional theory, local density approximation (LDA), LDA+U, and the linear augmented plane wave (LAPW) method to solve Kohn-Sham equations. After that we discuss x-ray resonant scattering (XRMS), x-ray magnetic circular dichroism (XMCD) and the branching problem in the heavy rare earths Ledges. In the last chapter we discuss the elastic properties of the second hardest material AlMgB_{14}.
Efficient electronic structure calculation for molecular ionization dynamics at high x-ray intensity
Hao, Yajiang; Hanasaki, Kota; Son, Sang-Kil; Santra, Robin
2015-01-01
We present the implementation of an electronic-structure approach dedicated to ionization dynamics of molecules interacting with x-ray free-electron laser (XFEL) pulses. In our scheme, molecular orbitals for molecular core-hole states are represented by linear combination of numerical atomic orbitals that are solutions of corresponding atomic core-hole states. We demonstrate that our scheme efficiently calculates all possible multiple-hole configurations of molecules formed during XFEL pulses. The present method is suitable to investigate x-ray multiphoton multiple ionization dynamics and accompanying nuclear dynamics, providing essential information on the chemical dynamics relevant for high-intensity x-ray imaging.
First-principles calculations of X-ray absorption spectra for warm dense methane
Li, Zi; Wang, Cong; Li, Dafang; Kang, Wei; Zhang, Ping
2017-09-01
X-ray absorption spectrum is a powerful tool for atomic structure detection on materials under extreme conditions. Here, we perform first-principles molecular dynamics and X-ray absorption spectrum calculations for warm dense methane under thermodynamical conditions along a Hugoniot curve. From the molecular dynamics trajectories, the detailed atomic structures are examined for each condition. The carbon K-shell X-ray absorption spectrum is calculated, and its change with temperature and pressure is discussed. The methane systems under extreme conditions may contain radicals CHx (x = 1,2,3), molecules CH4, and carbon chains CmHn (m,n >1). These various products show quite different contributions to the total X-ray spectrum due to the different atomic and electronic structures. The change of the total X-ray spectrum along the Hugoniot curve is then attributed to the change of the products induced by the temperature and pressure. Some clear signatures on the X-ray absorption spectrum under different thermodynamical conditions are proposed, which provide useful information for future X-ray experiments.
Augmentation of ENDF/B fission product gamma-ray spectra by calculated spectra
Katakura, J. (Japan Atomic Energy Research Inst., Tokai-mura, Naka-gun, Ibaraki-ken (Japan)); England, T.R. (Los Alamos National Lab., NM (United States))
1991-11-01
Gamma-ray spectral data of the ENDF/B-V fission product decay data file have been augmented by calculated spectra. The calculations were performed with a model using beta strength functions and cascade gamma-ray transitions. The calculated spectra were applied to individual fission product nuclides. Comparisons with several hundred measured aggregate gamma spectra after fission were performed to confirm the applicability of the calculated spectra. The augmentation was extended to a preliminary ENDF/B-VI file, and to beta spectra. Appendix C provides information on the total decay energies for individual products and some comparisons of measured and aggregate values based on the preliminary ENDF/B-VI files. 15 refs., 411 figs.
Lahaye, Noé; Smith, Stefan Llewellyn
2016-04-01
We consider the vertical propagation of acoustic-gravity waves generated by a finite-size perturbation at the bottom, through a moving inhomogeneous atmosphere. Under the hypothesis of weak inhomogeneities in the horizontal direction, an approximate solution is obtained in terms of normal modes and horizontal rays. The problem is thus reduced to a depth-separated equation very similar to the standard Taylor-Goldstein equation, with weak dependence of the parameters on the horizontal coordinates, and to ray equations along the horizontal -- thus decreasing the computational resources needed. One advantage of this method is to retain the signal that is partially transmitted across reflecting regions that may exist due to the background wind jet, contrary to standard ray tracing that would predict pure reflexion. In addition, the limitation to an homogeneous medium along the horizontal coordinates that applies to other standard methods based on spectral integral transforms is released with the current approach. An idealized configuration is investigated, where numerical results are shown. Finally, a more general formulation in terms of approximate adiabatic spectral integral transform is presented. Implications for the computation of the propagation of Tsunami-generated acoustic-gravity waves, and more generally waves generated at the bottom of an inhomogeneous moving fluid, are discussed.
Orlando, Elena
2016-04-01
Galactic synchrotron radiation observed from radio to microwaves is produced by cosmic-ray (CR) electrons propagating in magnetic fields (B-fields). The low-frequency foreground component separated maps by WMAP and Planck depend on the assumed synchrotron spectrum. The synchrotron spectrum varies for different line of sights as a result of changes on the CR spectrum due to propagation effects and source distributions. Our present knowledge of the CR spectrum at different locations in the Galaxy is not sufficient to distinguish various possibilities in the modeling. As a consequence uncertainties on synchrotron emission models complicate the foreground component separation analysis with Planck and future microwave telescopes. Hence, any advancement in synchrotron modeling is important for separating the different foreground components.The first step towards a more comprehensive understanding of degeneracy and correlation among the synchrotron model parameters is outlined in our Strong et al. 2011 and Orlando et al. 2013 papers. In the latter the conclusion was that CR spectrum, propagation models, B-fields, and foreground component separation analysis need to be studied simultaneously in order to properly obtain and interpret the synchrotron foreground. Indeed for the officially released Planck maps, we use only the best spectral model from our above paper for the component separation analysis.Here we present a collections of our latest results on synchrotron, CRs and B-fields in the context of CR propagation, showing also our recent work on B-fields within the Planck Collaboration. We underline also the importance of using the constraints on CRs that we obtain from gamma ray observations. Methods and perspectives for further studies on the synchrotron foreground will be addressed.
Seismic ray-tracing calculation based on parabolic travel-time interpolation
周竹生; 张赛民; 陈灵君
2004-01-01
A new seismic ray-tracing method is put forward based on parabolic travel-time interpolation(PTI) method, which is more accurate than the linear travel-time interpolation (LTI) method. Both PTI method and LTI method are used to compute seismic travel-time and ray-path in a 2-D grid cell model. Firstly, some basic concepts are introduced. The calculations of travel-time and ray-path are carried out only at cell boundaries. So, the ray-path is always straight in the same cells with uniform velocity. Two steps are applied in PTI and LTI method, step 1 computes travel-time and step 2 traces ray-path. Then, the derivation of LTI formulas is described. Because of the presence of refraction wave in shot cell, the formula aiming at shot cell is also derived. Finally, PTI method is presented. The calculation of PTI method is more complex than that of LTI method, but the error is limited. The results of numerical model show that PTI method can trace ray-path more accurately and efficiently than LTI method does.
范钦敏; 刘亚雯; 等
1995-01-01
Simulation approach includes such processes as photon emissions from X-ray tube with a spectral distribution,total reflection on the sample support,photoelectric effect in thin layer sample,as well as characteristic line absorption and detection,The calculation results are in agreement with experimental ones.
Ziegler, Alexander
2016-01-01
Observations of the Galactic Center (GC) region in very-high-energy (VHE, >100 GeV) gamma rays, conducted with the High Energy Stereoscopic System (H.E.S.S.), led to the detection of an extended region of diffuse gamma-ray emission in 2006. To date, the exact origin of this emission has remained unclear, although a tight spatial correlation between the density distribution of the molecular material of the Central Molecular Zone (CMZ) and the morphology of the observed gamma-ray excess points towards a hadronic production scenario. In this proceeding, we present a numerical study of the propagation of high-energy cosmic rays (CRs) through a turbulent environment such as the GC region. In our analysis, we derive an energy-dependent parametrization for the diffusion coefficient which we use for our simulation of the diffuse gamma-ray emission at the GC. Assuming that hadronic CRs have been released by a single impulsive event at the center of our Galaxy, we probe the question whether or not the interaction proce...
Speckle-suppression in hologram calculation using ray-sampling plane.
Utsugi, Takeru; Yamaguchi, Masahiro
2014-07-14
Speckle noise is an important issue in electro-holographic displays. We propose a new method for suppressing speckle noise in a computer-generated hologram (CGH) for 3D display. In our previous research, we proposed a method for CGH calculation using ray-sampling plane (RS-plane), which enables the application of advanced ray-based rendering techniques to the calculation of hologram that can reconstruct a deep 3D scene in high resolution. Conventional techniques for effective speckle suppression, which utilizes the time-multiplexing of sparse object points, can suppress the speckle noise with high resolution, but it cannot be applied to the CGH calculation using RS-plane because the CGH calculated using RS-plane does not utilize point sources on an object surface. Then, we propose the method to define the point sources from light-ray information and apply the speckle suppression technique using sparse point sources to CGH calculation using RS-plane. The validity of the proposed method was verified by numerical simulations.
Uncertainty calculations for the measurement of in vivo bone lead by x-ray fluorescence.
O'Meara, J M; Fleming, D E B
2009-04-21
In order to quantify the bone lead concentration from an in vivo x-ray fluorescence measurement, typically two estimates of the lead concentration are determined by comparing the normalized x-ray peak amplitudes from the Kalpha(1) and Kbeta(1) features to those of the calibration phantoms. In each case, the normalization consists of taking the ratio of the x-ray peak amplitude to the amplitude of the coherently scattered photon peak in the spectrum. These two Pb concentration estimates are then used to determine the weighted mean lead concentration of that sample. In calculating the uncertainties of these measurements, it is important to include any covariance terms where appropriate. When determining the uncertainty of the lead concentrations from each x-ray peak, the standard approach does not include covariance between the x-ray peaks and the coherently scattered feature. These spectral features originate from two distinct physical processes, and therefore no covariance between these features can exist. Through experimental and simulated data, we confirm that there is no observed covariance between the detected Pb x-ray peaks and the coherently scattered photon signal, as expected. This is in direct contrast to recent work published by Brito (2006 Phys. Med. Biol. 51 6125-39). There is, however, covariance introduced in the calculation of the weighted mean lead concentration due to the common coherent normalization. This must be accounted for in calculating the uncertainty of the weighted mean lead concentration, as is currently the case. We propose here an alternative approach to calculating the weighted mean lead concentration in such a way as to eliminate the covariance introduced by the common coherent normalization. It should be emphasized that this alternative approach will only apply in situations in which the calibration line intercept is not included in the calculation of the Pb concentration from the spectral data: when the source of the intercept is
Flame Propagation on the Surfaces of Rapidly Rotating Neutron Stars during Type I X-ray Bursts
Cavecchi, Yuri; Braithwaite, Jonathan; Levin, Yuri
2012-01-01
We present the first vertically resolved hydrodynamic simulations of a laterally propagating, deflagrating flame in the thin helium ocean of a rotating accreting neutron star. We use a new hydrodynamics solver tailored to deal with the large discrepancy in horizontal and vertical length scales typical of neutron star oceans, and which filters out sound waves that would otherwise limit our timesteps. We find that the flame moves horizontally with velocities of order $10^5$ cm s$^{-1}$, crossing the ocean in few seconds, broadly consistent with the rise times of Type I X-ray bursts. We address the open question of what drives flame propagation, and find that heat is transported from burning to unburnt fuel by a combination of top-to-bottom conduction and mixing driven by a baroclinic instability. The speed of the flame propagation is therefore a sensitive function of the ocean conductivity and spin: we explore this dependence for an astrophysically relevant range of parameters and find that in general flame pro...
Ribeiro, F B; Carlos, D U; Hiodo, F Y; Strobino, E F
2005-01-01
In this study, a least squares procedure for calculating the calibration constants of a portable gamma-ray spectrometer using the general inverse matrix method is presented. The procedure weights the model equations fitting to the calibration data, taking into account the variances in the counting rates and in the radioactive standard concentrations. The application of the described procedure is illustrated by calibrating twice the same gamma-ray spectrometer, with two independent data sets collected approximately 18 months apart in the same calibration facility.
Calculations of gamma-ray spectral profiles of linear alkanes in the positron annihilation process
Ma, Xiaoguang [Molecular Model Discovery Laboratory, Department of Chemistry and Biotechnology, School of Science, Faculty of Science, Engineering and Technology, Swinburne University of Technology, PO Box 218, Hawthorn, Victoria, 3122 (Australia); School of Physics and Optoelectronic Engineering, Ludong University, Shandong, Yantai, 264025 (China); Wang, Feng, E-mail: fwang@swin.edu.au [Molecular Model Discovery Laboratory, Department of Chemistry and Biotechnology, School of Science, Faculty of Science, Engineering and Technology, Swinburne University of Technology, PO Box 218, Hawthorn, Victoria, 3122 (Australia)
2014-10-15
Highlights: • The study calculates gamma-ray profiles for linear alkanes (n up to 12) quantum mechanically;. • “Profile quality” has been defined as the root-mean square deviation (RMSD) between the theoretical and the experimental results in the entire region of the profile. • Excellent agreement with measurements suggests that the theory model is applicable to predict other alkanes such as heptane (C{sub 7}H{sub 16}) etc. • The study suggested that gamma-ray spectra may be more sensitive to study smaller alkanes (and their isomers), rather than larger alkanes (i.e., n > 12). - Abstract: The positron–electron annihilation gamma-ray spectra of linear alkanes C{sub n}H{sub 2n+2} (n = 1–12) have been studied systematically. A profile quality (PQ) parameter, χ, is introduced to assess the agreement between the obtained theoretical profiles and the experimental measurements in the entire region of energy shift of the spectra. Together with the Doppler shift (Δε) of the gamma-ray spectra, the two parameters, χ and Δε, are able to provide a more comprehensive assessment of the calculated gamma-ray spectra with respect to available experiment. Applying the recently developed docking model, the present study determines the positrophilic electrons for individual alkanes from which the gamma-ray spectral profiles are calculated. The results achieve an excellent agreement with experiment, not only with respect to the Doppler shift, but also with respect to the gamma-ray profiles in the photon energy region up to 5 keV. The study further calculates the gamma-ray spectra of other linear alkanes in the series without available experimental measurements, such as heptane (C{sub 7}H{sub 16}), octane (C{sub 8}H{sub 18}), decane (C{sub 10}H{sub 22}) and undecane (C{sub 11}H{sub 24}). The results obtained show a dominance of the positrophilic electrons in the lowest occupied valence orbital (LOVO) in the positron–electron annihilation process, in agreement with
Ultra High Energy Cosmic Ray, Neutrino, and Photon Propagation and the Multi-Messenger Approach
Taylor, Andrew M; Castillo-Ruiz, Edith
2009-01-01
The propagation of UHECR nuclei for A=1 (protons) to A=56 (iron) from cosmological sources through extragalactic space is discussed in the first lecture. This is followed in the second and third lectures by a consideration of the generation and propagation of secondary particles produced via the UHECR loss interactions. In the second lecture we focus on the generation of the diffuse cosmogenic UHE-neutrino flux. In the third lecture we investigate the arriving flux of UHE-photon flux at Earth. In the final lecture the results of the previous lectures are put together in order to provide new insights into UHECR sources. The first of these providing a means with which to investigate the local population of UHECR sources through the measurement of the UHECR spectrum and their photon fraction at Earth. The second of these providing contraints on the UHECR source radiation fields through the possible observation at Earth of UHECR nuclei.
Melli, Seyed Ali, E-mail: sem649@mail.usask.ca [Department of Electrical and Computer Engineering, University of Saskatchewan, Saskatoon, SK (Canada); Wahid, Khan A. [Department of Electrical and Computer Engineering, University of Saskatchewan, Saskatoon, SK (Canada); Babyn, Paul [Department of Medical Imaging, University of Saskatchewan, Saskatoon, SK (Canada); Montgomery, James [College of Medicine, University of Saskatchewan, Saskatoon, SK (Canada); Snead, Elisabeth [Western College of Veterinary Medicine, University of Saskatchewan, Saskatoon, SK (Canada); El-Gayed, Ali [College of Medicine, University of Saskatchewan, Saskatoon, SK (Canada); Pettitt, Murray; Wolkowski, Bailey [College of Agriculture and Bioresources, University of Saskatchewan, Saskatoon, SK (Canada); Wesolowski, Michal [Department of Medical Imaging, University of Saskatchewan, Saskatoon, SK (Canada)
2016-01-11
Synchrotron source propagation-based X-ray phase contrast computed tomography is increasingly used in pre-clinical imaging. However, it typically requires a large number of projections, and subsequently a large radiation dose, to produce high quality images. To improve the applicability of this imaging technique, reconstruction algorithms that can reduce the radiation dose and acquisition time without degrading image quality are needed. The proposed research focused on using a novel combination of Douglas–Rachford splitting and randomized Kaczmarz algorithms to solve large-scale total variation based optimization in a compressed sensing framework to reconstruct 2D images from a reduced number of projections. Visual assessment and quantitative performance evaluations of a synthetic abdomen phantom and real reconstructed image of an ex-vivo slice of canine prostate tissue demonstrate that the proposed algorithm is competitive in reconstruction process compared with other well-known algorithms. An additional potential benefit of reducing the number of projections would be reduction of time for motion artifact to occur if the sample moves during image acquisition. Use of this reconstruction algorithm to reduce the required number of projections in synchrotron source propagation-based X-ray phase contrast computed tomography is an effective form of dose reduction that may pave the way for imaging of in-vivo samples.
IonRayTrace: An HF Propagation Model for Communications and Radar Applications
2014-12-01
this report was performed by the Atmospheric Propagation Branch (Code 55280), Space and Naval Warfare Systems Center Pacific (SSC Pacific), San Diego...the 2- to 7-MHz (red), 7- to 12-MHz (green), and 12- to 17-MHz (blue) bands ..................... 9 1 1. OVERVIEW The Advanced Refractivity ...density of free electrons (102 to 104 cm-3) and has negligible refractive effect on electromagnetic waves in the HF band [5]. However, in general
2008-08-01
Foucault at SAIC. – 14 – The split-step wave optics propagation simulations were all run with a frame rate of 3,000 frames per second. These simulations...formulate the analysis so that such eigen values do not show up. 7). Lastly, I would like to thank Barry Foucault for making his wave optics propagation
Coe, J P
2015-01-01
We adapt the method of Monte Carlo configuration interaction to calculate core-hole states and use this for the computation of X-ray emission and absorption values. We consider CO, CH$_{4}$, NH$_{3}$, H$_{2}$O, HF, HCN, CH$_{3}$OH, CH$_{3}$F, HCl and NO using a 6-311G** basis. We also look at carbon monoxide with a stretched geometry and discuss the dependence of its results on the cutoff used. The Monte Carlo configuration interaction results are compared with EOM-CCSD values for X-ray emission and with experiment for X-ray absorption. Oscillator strengths are also computed and we quantify the multireference nature of the wavefunctions to suggest when approaches based on a single reference would be expected to be successful.
Calculation of point isotropic buildup factors of gamma rays for water and lead
A. S. H.
2001-12-01
Full Text Available Exposure buildup factors for water and lead have been calculated by the Monte-Carlo method for an isotropic point source in an infinite homogeneous medium, using the latest cross secions available on the Internet. The types of interactions considered are ,photoelectric effect, incoherent (or bound-electron Compton. Scattering, coherent (or Rayleigh scattering and pair production. Fluorescence radiations have also been taken into acount for lead. For each material, calculations were made at 10 gamma ray energies in the 40 keV to 10 MeV range and up to penetration depths of 10 mean free paths at each energy point. The results presented in this paper can be considered as modified gamma ray exposure buildup factors and be used in radiation shielding designs.
Origin-independent calculation of quadrupole intensities in X-ray spectroscopy
Bernadotte, Stephan; Jacob, Christoph R
2012-01-01
For electronic excitations in the ultraviolet and visible range of the electromagnetic spectrum, the intensities are usually calculated within the dipole approximation, which assumes that the oscillating electric field is constant over the whole molecule. For the short wavelengths used in X-ray spectroscopy, this dipole approximation breaks down and it becomes necessary to include higher-order contributions. In quantum-chemical approaches to X-ray spectroscopy, these so-called quadrupole intensities have so far been calculated by including contributions depending on the square of the electric-quadrupole and magnetic-dipole transition moments. However, the resulting quadrupole intensities depend on the choice of the origin of the coordinate system. Here, we show that for obtaining an origin-independent theory, one has to include all contributions that are of the same order in the wave vector consistently. This leads to two additional contributions depending on products of the electric-dipole and electric-octup...
Complementing high-throughput X-ray powder diffraction data with quantum-chemical calculations
Naelapaa, Kaisa; van de Streek, Jacco; Rantanen, Jukka
2012-01-01
High-throughput crystallisation and characterisation platforms provide an efficient means to carry out solid-form screening during the pre-formulation phase. To determine the crystal structures of identified new solid phases, however, usually requires independent crystallisation trials to produce...... single crystals or bulk samples of sufficient quantity to carry out high-quality X-ray diffraction measurements. This process could be made more efficient by a robust procedure for crystal structure determination directly from high-throughput X-ray powder diffraction (XRPD) data. Quantum......-chemical calculations based on dispersion-corrected density functional theory (DFT-D) have now become feasible for typical small organic molecules used as active pharmaceutical ingredients. We demonstrate how these calculations can be applied to complement high-throughput XRPD data by determining the crystal structure...
X-ray magnetic circular dichroism in Co2FeGa: First-principles calculations
Kukusta, D. A.; Antonov, V. N.; Yaresko, A. N.
2011-08-01
The electronic structure and x-ray magnetic circular dichroism (XMCD) spectra of the Heusler alloy Co2FeGa were investigated theoretically from first principles, using the fully relativistic Dirac linear MT-orbital (LMTO) band structure method. Densities of valence states, orbital and spin magnetic moments are analyzed and discussed. The origin of the XMCD spectra in the Co2FeGa compound is examined. The calculated results are compared with available experimental data.
A Discussion on Propagation Pattern of Cosmic Rays by GALPROP%宇宙线传播的GALPROP模型讨论
雷文华; 李勇; 胡海冰
2016-01-01
宇宙线传播是宇宙线研究中的基本问题之一，在探索宇宙的过程中起着举足轻重的作用。GALPROP是一个运用数值的方法求解宇宙线传播的程序包，包含宇宙线传播的各种过程，在一个统一的程序中同时模拟宇宙线中各种粒子的传播，是计算宇宙线粒子传播比较理想的模型。%Propagation of cosmic rays are one of essential problems in research of cosmic rays,which play a key role in exploring universe. GALPROP is a routine package that apply numerical methods to solve propagation of cosmic rays.It includes all sorts of process of propagation of cosmic rays,and could simultaneously simulate all sort of propagation of particles under unified the framework.It is a perfect model to compute particle propagation of cosmic rays.
Superradiant control of gamma-ray propagation by vibrating nuclear arrays
Zhang, Xiwen
2013-01-01
The collective nature of light interactions with atomic and nuclear ensembles yields the fascinating phenomena of superradiance and radiation trapping. We study the interaction of gamma rays with a coherently vibrating periodic array of two-level nuclei. Such nuclear motion can be generated, e.g., in ionic crystals illuminated by a strong driving optical laser field. We find that deflection of the incident gamma beam into the Bragg angle can be switched on and off by nuclear vibrations on a superradiant time scale determined by the collective nuclear frequency, which is of the order of terahertz. Namely, if the incident gamma wave is detuned from the nuclear transition by much larger frequency it passes through the static nuclear array. However, if the nuclei vibrate with the frequency of the gamma ray detuning then parametric resonance can yield energy transfer into the Bragg deflected beam on the superradiant time scale, which can be used for fast control of gamma rays.
Propagation and energy deposition of cosmic rays' muons on terrestrial environments
Marinho, Franciole; Galante, Douglas
2014-01-01
Earth is constantly struck by radiation coming from the interstellar medium. The very low energy end of the spectrum is shielded by the geomagnetic field but charged particles with energies higher than the geomagnetic cutoff will penetrate the atmosphere and are likely to interact, giving rise to secondary particles. Some astrophysical events, such as gamma ray bursts and supernovae, when happening at short distances, may affect the planet's biosphere due to the temporary enhanced radiation flux. Muons are abundantly produced by high energy cosmic rays in the Earth's atmosphere. These particles, due to their low cross section, are able to penetrate deep underground and underwater, with the possibility of affecting biological niches normally considered shielded from radiation. We investigate the interaction of muons produced by high energy cosmic rays on Earth's atmosphere using the Geant4 toolkit. We analyze penetration power in water and crust and also the interaction effects within bacteria-like material ac...
Spallation dominated propagation of Heavy Cosmic Rays and the Local Interstellar Medium (LISM)
Combet, C; Donnelly, J; O'Connor-Drury, L; Vangioni-Flam, E
2004-01-01
Measurements of ultra heavy nuclei at GeV/n energies in the galactic cosmic radiation address the question of the sources (nucleosynthetic s- and r-processes). As such, the determination of CR source abundances is a promising way to discriminate between existing nucleosynthesis models. For primary species (nuclei present and accelerated at sources), it is generally assumed that the relative propagated abundances, if they are close in mass, are not too different from their relative source abundances. Besides, the range of the correction factor associated to propagation has been estimated in weighted slab models only. Heavy CRs that are detected near Earth were accelerated from regions that are closer to us than were the light nuclei. Hence, the geometry of sources in the Solar neighbourhood, and as equally important, the geometry of gas in the same region, must be taken into account. In this paper, a two zone diffusion model is used, and as was previously investigated for radioactive species, we report here on...
Sebelin, E
1997-12-15
Full-wave calculations based on trial functions are carried out for solving the lower hybrid current drive problem in tokamaks. A variational method is developed and provides an efficient system to describe in a global manner both the propagation and the absorption of the electromagnetic waves in plasmas. The calculation is fully carried out in the case of circular and concentric flux surfaces. The existence and uniqueness of the solution of the wave propagation equation is mathematically proved. The first realistic simulations are performed for the high aspect ratio tokamak TRIAM-1M. It is checked that the main features of the lower-hybrid wave dynamics are well described numerically. (A.C.) 81 refs.
Enevoldsen, Thomas; Oddershede, Jens; Sauer, Stephan P. A.
1998-01-01
We present correlated calculations of the indirect nuclear spin-spin coupling constants of HD, HF, H2O, CH4, C2H2, BH, AlH, CO and N2 at the level of the second-order polarization propagator approximation (SOPPA) and the second-order polarization propagator approximation with coupled......-spin coupling constants, were used instead of the in general rather small basis sets used in previous studies. We find that for nearly all couplings the SOPPA(CCSD) method performs better than SOPPA....
Soutoul, A.; Legrain, R.; Lukasiak, A.; McDonald, F. B.; Webber, W. R.
1998-08-01
New data from the cosmic ray experiment on the Voyager spacecraft confirms and extends earlier data from a similar experiment on the ISEE-3 spacecraft which indicates the possibility of the decay of certain K-capture isotopes during the interstellar propagation of galactic cosmic rays. These cosmic ray measurements, along with the cross section measurements, indicate that ~ 25% of the K-capture isotopes (51Cr and (49V produced as secondaries have decayed at interstellar energy of ~ 400 MeV/nuc. This suggests a possible interstellar energy gain ~ 100 MeV/nuc out of the current interstellar energy ~ 500 MeV/nuc. This measurement suggests that the study of the K-capture isotopes may now have reached a level that will soon provide definitive information on the amount of re-acceleration that may occur during cosmic-ray propagation after an initial acceleration in the cosmic ray sources.
Source abundances and propagation of relativistic cosmic rays up to Z equals 30 - HEAO 3 results
Koch-Miramond, L.
Results from the cosmic ray isotope experiment on board the HEAO 3 satellite are reviewed, noting their impact on astrophysics. The gamma ray telescope comprised 5 Cerenkov detectors and a flash tube hodoscope with 4 trays, and collected data on 7 million events in the energy range 0.7-20 GeV/nucleon during the 1.6 yr mission duration. Three ranges of momentum were detected, and it was found that the ratios of secondary to primary species decreased steeply with increasing energy. A progressive steepening of the energy dependence of abundance ratios from Al/Si and K/Fe was observed, which has been interpreted as a progressive decrease of the amount of primary component from Al to Na and K. The secondary to primary ratios are accounted for with an exponential pathlength distribution from Fe down to Na and N. Comparisons are made of elemental abundances in cosmic ray sources, the local galactic environment, and the solar energetic particle composition. The data is noted to be compatible with a model of an injection of cosmic ray particles by stellar flares in a two-stage acceleration process.
Formation, propagation, and decay of coherent pulses of solar cosmic rays
Ruffolo, D
1995-01-01
We have performed numerical simulations of the interplanetary transport of solar cosmic rays. The particles form a coherent pulse within \\sim0.01 AU after their injection. The gradual decrease of a pulse's speed and anisotropy can be understood in terms of an equilibrium between pitch-angle scattering and focusing. The results should be useful for estimating times of particle injection.
Ray tracing based path-length calculations for polarized light tomographic imaging
Manjappa, Rakesh; Kanhirodan, Rajan
2015-09-01
A ray tracing based path length calculation is investigated for polarized light transport in a pixel space. Tomographic imaging using polarized light transport is promising for applications in optical projection tomography of small animal imaging and turbid media with low scattering. Polarized light transport through a medium can have complex effects due to interactions such as optical rotation of linearly polarized light, birefringence, di-attenuation and interior refraction. Here we investigate the effects of refraction of polarized light in a non-scattering medium. This step is used to obtain the initial absorption estimate. This estimate can be used as prior in Monte Carlo (MC) program that simulates the transport of polarized light through a scattering medium to assist in faster convergence of the final estimate. The reflectance for p-polarized (parallel) and s-polarized (perpendicular) are different and hence there is a difference in the intensities that reach the detector end. The algorithm computes the length of the ray in each pixel along the refracted path and this is used to build the weight matrix. This weight matrix with corrected ray path length and the resultant intensity reaching the detector for each ray is used in the algebraic reconstruction (ART) method. The proposed method is tested with numerical phantoms for various noise levels. The refraction errors due to regions of different refractive index are discussed, the difference in intensities with polarization is considered. The improvements in reconstruction using the correction so applied is presented. This is achieved by tracking the path of the ray as well as the intensity of the ray as it traverses through the medium.
Kampert, Karl-Heinz [Wuppertal Univ. (Germany); Kulbartz, Joerg; Schiffer, Peter; Sigl, Guenter; Vliet, Arjen Rene van [Hamburg Univ. (Germany). 2. Inst. fuer Theoretische Physik; Maccione, Luca [Muenchen Univ. (Germany); Max-Planck-Institut fuer Physik, Muenchen (Germany); Nierstenhoefer, Nils [Wuppertal Univ. (Germany); Hamburg Univ. (Germany). 2. Inst. fuer Theoretische Physik
2012-06-15
Version 2.0 of CRPropa is public software to model the extra-galactic propagation of ultra-high energy nuclei of atomic number Z{<=}26 through structured magnetic fields and ambient photon backgrounds taking into account all relevant particle interactions. CRPropa covers the energy range 6 x 10{sup 16} < E/eV < A x 10{sup 22} where A is the nuclear mass number. CRPropa can also be used to track secondary {gamma}-rays and neutrinos which allows the study of their link with the charged primary nuclei - the so called multi-messenger connection. After a general introduction we present several sample applications of current interest concerning the physics of extragalactic ultra-high energy radiation.
Fast one-dimensional wave-front propagation for x-ray differential phase-contrast imaging.
Wolf, Johannes; Malecki, Andreas; Sperl, Jonathan; Chabior, Michael; Schüttler, Markus; Bequé, Dirk; Cozzini, Cristina; Pfeiffer, Franz
2014-10-01
Numerical wave-optical simulations of X-ray differential phase-contrast imaging using grating interferometry require the oversampling of gratings and object structures in the range of few micrometers. Consequently, fields of view of few millimeters already use large amounts of a computer's main memory to store the propagating wave front, limiting the scope of the investigations to only small-scale problems. In this study, we apply an approximation to the Fresnel-Kirchhoff diffraction theory to overcome these restrictions by dividing the two-dimensional wave front up into 1D lines, which are processed separately. The approach enables simulations with samples of clinically relevant dimensions by significantly reducing the memory footprint and the execution time and, thus, allows the qualitative comparison of different setup configurations. We analyze advantages as well as limitations and present the simulation of a virtual mammography phantom of several centimeters of size.
Calculations of the response of shielded detectors to gamma rays at MeV-range energies
R. C. Byrd
2000-03-01
Nuclear instruments designed to detect gamma rays at energies from 0.1 to 10 MeV respond primarily to the electrons produced by gamma-ray scattering and absorption in either the instrument itself or in the surrounding materials. Although tabulated attenuation coefficients are very useful for estimating macroscopic quantities such as bulk energy depositions, such quantities are averages over several different phenomena at the microscopic level. For detectors with active elements that are thin compared with an electron range, the competing effects of inscattering and outscattering result in complicated responses, as evidenced by the strong energy dependence of the resulting pulse-height spectra. Thus, for some applications the macroscopic averages are entirely sufficient, but for others a full microscopic analysis is needed. The author first reviews the literature on the responses of several types of detectors to gamma rays at energies below 10 MeV, and then they use a series of simple Monte Carlo calculations to illustrate the important physics issues. These simple calculations are followed by thorough studies of the energy and angle responses of two proposed instruments, including their responses to instantaneous pulses of large numbers of simultaneous incident photons.
Galactic cosmic-ray propagation in the light of AMS-02: Analysis of protons, helium, and antiprotons
Korsmeier, Michael; Cuoco, Alessandro
2016-12-01
We present novel constraints on cosmic-ray propagation in the Galaxy using the recent precise measurements of proton and helium spectra from AMS-02, together with preliminary AMS-02 data on the antiproton over proton ratio. To explore efficiently the large (up to 11-dimensional) parameter space we employ the nested-sampling algorithm as implemented in the MultiNest package, interfaced with the Galprop code to compute the model-predicted spectra. We use VOYAGER proton and helium data, sampling the local interstellar spectra, to constrain the solar modulation potential. We find that the turbulence of the Galactic magnetic field is well constrained, i.e., δ =0.3 0-0.02+0.03(stat )-0.04+0.10(sys ) , with uncertainties dominated by systematic effects. Systematic uncertainties are determined checking the robustness of the results to the minimum rigidity cut used to fit the data (from 1 GV to 5 GV), to the propagation scenario (convection vs no convection), and to the uncertainties in the knowledge of the antiproton production cross section. Convection and reacceleration are found to be degenerate and not well constrained singularly when using data above 5 GV. Using data above 1 GV reacceleration is required, vA=25 ±2 km /s , although this value might be significantly affected by the low-energy systematic uncertainty in the solar modulation. In a forthcoming companion paper, we investigate the constraints imposed by AMS-02 measurements on lithium, boron, and carbon.
Korsmeier, Michael
2016-01-01
We present novel constraints on cosmic-ray propagation in the Galaxy using the recent precise measurements of proton and helium spectra from AMS-02, together with preliminary AMS-02 data on the antiproton over proton ratio. To explore efficiently the large (up to eleven-dimensional) parameter space we employ the nested-sampling algorithm as implemented in the \\textsc{MultiNest} package, interfaced with the \\textsc{Galprop} code to compute the model-predicted spectra. We use VOYAGER proton and helium data, sampling the local inter-stellar spectra, to constrain the solar modulation potential. We find that the turbulence of the Galactic magnetic field is well constrained, i.e., $\\delta=0.30^{+0.03}_{-0.02}(stat)^{+0.10}_{-0.04}(sys)$, with uncertainties dominated by systematic effects. Systematic uncertainties are determined checking the robustness of the results to the minimum rigidity cut used to fit the data (from 1 GV to 5 GV), to the propagation scenario (convection vs no-convection), and to the uncertainti...
Masías-Meza, Jimmy J
2014-01-01
The geomagnetic field (Bgeo) sets a lower cutoff rigidity (Rc) to the entry of cosmic particles to Earth which depends on the geomagnetic activity. From numerical simulations of the trajectory of a proton using different models for Bgeo (performed with the MAGCOS code), we use backtracking to analyze particles arriving at the location of two nodes of the net LAGO (Large Aperture Gamma ray burst Observatory) that will be built in the near future: Buenos Aires and Marambio (Antarctica), Argentina. We determine the asymptotic trajectories and the values of Rc for different incidence directions, for each node. Simulations were done using several models for Bgeo that emulate different geomagnetic conditions. The presented results will help to make analysis of future observations of the flux of cosmic rays done at these two LAGO nodes.
Effects of Turbulence on Cosmic Ray Propagation in Protostars and Young Star/Disk Systems
Fatuzzo, Marco
2014-01-01
The magnetic fields associated with young stellar objects are expected to have an hour-glass geometry, i.e., the magnetic field lines are pinched as they thread the equatorial plane surrounding the forming star but merge smoothly onto a background field at large distances. With this field configuration, incoming cosmic rays experience both a funneling effect that acts to enhance the flux impinging on the circumstellar disk and a magnetic mirroring effect that acts to reduce that flux. To leading order, these effects nearly cancel out for simple underlying magnetic field structures. However, the environments surrounding young stellar objects are expected to be highly turbulent. This paper shows how the presence of magnetic field fluctuations affects the process of magnetic mirroring, and thereby changes the flux of cosmic rays striking circumstellar disks. Turbulence has two principle effects: 1) The (single) location of the magnetic mirror point found in the absence of turbulence is replaced with a wide distr...
Microcellular propagation prediction model based on an improved ray tracing algorithm.
Liu, Z-Y; Guo, L-X; Fan, T-Q
2013-11-01
Two-dimensional (2D)/two-and-one-half-dimensional ray tracing (RT) algorithms for the use of the uniform theory of diffraction and geometrical optics are widely used for channel prediction in urban microcellular environments because of their high efficiency and reliable prediction accuracy. In this study, an improved RT algorithm based on the "orientation face set" concept and on the improved 2D polar sweep algorithm is proposed. The goal is to accelerate point-to-point prediction, thereby making RT prediction attractive and convenient. In addition, the use of threshold control of each ray path and the handling of visible grid points for reflection and diffraction sources are adopted, resulting in an improved efficiency of coverage prediction over large areas. Measured results and computed predictions are also compared for urban scenarios. The results indicate that the proposed prediction model works well and is a useful tool for microcellular communication applications.
Propagation of a Forbush decrease in cosmic ray intensity to 15.9 AU
Van Allen, J. A.
1979-01-01
By observation of the large Forbush decrease in cosmic-ray intensity of April-May 1978 at heliocentric radial distances of 1.01, 6.97, and 15.91 AU, it is found that the causative magnetized plasma cloud moved outward from the sun at an apparent radial speed of about 960 km/s, independent of radial distance over this range. Recovery from the impulsive decrease in intensity was markedly slower at the larger distances. On the basis of this fact and other considerations, several tentative suggestions are made as to the large-scale nature of Forbush decreases and their relationship to the 11-year solar modulation of galactic cosmic-ray intensity.
Van Allen, James A.; Fillius, R. W.
1992-01-01
Observations of a large Forbush decrease in cosmic-ray intensity at the earth, Pioneer II and Pioneer 10 are reported. The Pioneer 10 data show a large impulsive decrease in cosmic-ray intensity at the greatest distance from the sun observed to date. The apparent radial speed of propagation of the Forbush decrease was about 820 km/s, independent of the radial distance. The observations reported here and similar previous observations provide the basis for a new quantitative model of the propagation of Forbush decreases in the outer heliosphere.
Amyloid-β plaque deposition measured using propagation-based X-ray phase contrast CT imaging
Astolfo, Alberto; Lathuilière, Aurélien; Laversenne, Vanessa; Schneider, Bernard; Stampanoni, Marco
2016-01-01
Amyloid beta accumulation into insoluble plaques (Aβp) is known to play a significant role in the pathological process in Alzheimer’s disease (AD). The presence of Aβp is also one of the neuropathological hallmarks for the disease. AD final diagnosis is generally acknowledged after the evaluation of Aβp deposition in the brain. Insoluble Aβp accumulation may also concur to cause AD as postulated in the so-called amyloid hypothesis. Therefore, the visualization, evaluation and quantification of Aβp are nowadays the keys for a better understanding of the disease, which may point to a possible cure for AD in the near future. Synchrotron-based X-ray phase contrast (XPC) has been demonstrated as the only imaging method that can retrieve the Aβp signal with high spatial resolution (up to 10 µm), high sensitivity and three-dimensional information at the same time. Although at the moment XPC is suitable for ex vivo samples only, it may develop into an alternative to positron emission tomography and magnetic resonance imaging in Aβp imaging. In this contribution the possibility of using synchrotron-based X-ray phase propagation computed tomography to visualize and measure Aβp on mouse brains is presented. A careful setup optimization for this application leads to a significant improvement of spatial resolution (∼1 µm), data acquisition speed (five times faster), X-ray dose (five times lower) and setup complexity, without a substantial loss in sensitivity when compared with the classic implementation of grating-based X-ray interferometry. PMID:27140162
PCXMC, a Monte Carlo program for calculating patient doses in medical x-ray examinations
Tapiovaara, M.; Siiskonen, T.
2008-11-15
PCXMC is a Monte Carlo program for calculating patients' organ doses and effective doses in medical x-ray examinations. The organs and tissues considered in the program are: active bone marrow, adrenals, brain, breasts, colon (upper and lower large intestine), extrathoracic airways, gall bladder, heart, kidneys, liver, lungs, lymph nodes, muscle, oesophagus, oral mucosa, ovaries, pancreas, prostate, salivary glands, skeleton, skin, small intestine, spleen, stomach, testicles, thymus, thyroid, urinary bladder and uterus. The program calculates the effective dose with both the present tissue weighting factors of ICRP Publication 103 (2007) and the old tissue weighting factors of ICRP Publication 60 (1991). The anatomical data are based on the mathematical hermaphrodite phantom models of Cristy and Eckerman (1987), which describe patients of six different ages: new-born, 1, 5, 10, 15-year-old and adult patients. Some changes are made to these phantoms in order to make them more realistic for external irradiation conditions and to enable the calculation of the effective dose according to the new ICRP Publication 103 tissue weighting factors. The phantom sizes are adjustable to mimic patients of an arbitrary weight and height. PCXMC allows a free adjustment of the x-ray beam projection and other examination conditions of projection radiography and fluoroscopy
Voids as alternatives to dark energy and the propagation of γ rays through the universe.
DeLavallaz, Arnaud; Fairbairn, Malcolm
2012-04-27
We test the opacity of a void universe to TeV energy γ rays having obtained the extragalactic background light in that universe using a simple model and the observed constraints on the star formation rate history. We find that the void universe has significantly more opacity than a Λ cold dark matter universe, putting it at odds with observations of BL-Lac objects. We argue that while this method of distinguishing between the two cosmologies contains uncertainties, it circumvents any debates over fine-tuning.
The effect of gamma-ray transport on afterheat calculations for accident analysis
Reyes, S.; Latkowski, J.F.; Sanz, J.
2000-05-01
Radioactive afterheat is an important source term for the release of radionuclides in fusion systems under accident conditions. Heat transfer calculations are used to determine time-temperature histories in regions of interest, but the true source term needs to be the effective afterheat, which considers the transport of penetrating gamma rays. Without consideration of photon transport, accident temperatures may be overestimated in others. The importance of this effect is demonstrated for a simple, one-dimensional problem. The significance of this effect depends strongly on the accident scenario being analyzed.
Evaluation of docking calculations on X-ray structures using CONSENSUS-DOCK.
Okamoto, Masako; Masuda, Yoshiaki; Muroya, Ayumu; Yasuno, Kazuhiro; Takahashi, Osamu; Furuya, Toshio
2010-12-01
We are participating in the challenge of identifying active compounds for target proteins using structure-based virtual screening (SBVS). We use an in-house customized docking program, CONSENSUS-DOCK, which is a customized version of the DOCK4 program in which three scoring functions (DOCK4, FlexX and PMF) and consensus scoring have been implemented. This paper compares the docking calculation results obtained using CONSENSUS-DOCK and DOCK4, and demonstrates that CONSENSUS-DOCK produces better results than DOCK4 for major X-ray structures obtained from the Protein Data Bank (PDB).
Armengaud, E
2006-05-15
The origin of ultra-high energy cosmic rays remains an enigma of modern physics, which the Pierre Auger Observatory, a detector with a hybrid detection mode and an unprecedented size, will try to solve. The direct observation of the sources of those particles, or of large-scale structures in the sky associated to the sources, is one of the main goals of the observatory. Such observations should also allow to constrain cosmic ray propagation between their sources and the Earth, which is complicated by interactions with low-energy photon backgrounds and deflections in astrophysical magnetic fields. This thesis is made of two parts, in order to observe and simulate the sources of cosmic rays within the Auger Observatory. We begin with an extensive description of the Pierre Auger Observatory, and study the acceptance of its surface detector in order to build accurate sky exposure maps, an essential tool in order to study anisotropies. Then we present methods to search for anisotropies in the sky, and analyze the first two years of Auger data. After a description of the phenomena that can influence the propagation and observation of ultrahigh energy cosmic ray sources, we present numerical simulations aiming at predicting observables such as the spectrum, anisotropies and composition measurable by Auger as a function of various astrophysical models. We show that extragalactic magnetic fields can play a crucial role in particular if cosmic rays are partly heavy nuclei. Finally, we show that the propagation of these particles from a nearby source generates secondary fluxes of gamma-rays that could be detected by TeV gamma-ray telescopes. (author)
X-ray spectra of high temperature tungsten plasma calculated with collisional radiative model
Wang Jun; Zhang Hong; Cheng Xin-Lu
2013-01-01
Tungsten is regarded as an important candidate of plasma facing material in international thermonuclear experimental reactor (ITER),so the determination and modeling of spectra of tungsten plasma,especially the spectra at high temperature were intensely focused on recently.In this work,using the atomic structure code of Cowan,a collisional radiative model (CRM) based on the spin-orbit-split-arrays is developed.Based on this model,the charge state distribution of tungsten ions is determined and the soft X-ray spectra from high charged ions of tungsten at different temperatures are calculated.The results show that both the average ionization charge and line positions are well agreed with others calculations and measurements with discrepancies of less than 0.63％ and 1.26％,respectively.The spectra at higher temperatures are also reported and the relationship between ion abundance and temperature is predicted in this work.
Neutron and gamma ray calculation for Hiroshima-type atomic bomb
Hoshi, Masaharu; Endo, Satoru; Takada, Jun [Hiroshima Univ. (Japan). Research Inst. for Radiation Biology and Medicine; Iwatani, Kazuo; Oka, Takamitsu; Shizuma, Kiyoshi; Fujita, Shoichiro; Hasai, Hiromi
1998-03-01
We looked at the radiation dose of Hiroshima and Nagasaki atomic bomb again in 1986. We gave it the name of ``Dosimetry System 1986`` (DS86). We and other groups have measured the expose dose since 1986. Now, the difference between data of {sup 152}Eu and the calculation result on the basis of DS86 was found. To investigate the reason, we carried out the calculations of neutron transport and neutron absorption gamma ray for Hiroshima atomic bomb by MCNP3A and MCNP4A code. The problems caused by fast neutron {sup 32}P from sulfur in insulator of pole. To correct the difference, we investigated many models and found agreement of all data within 1 km. (S.Y.)
Propagation of gamma rays and production of free electrons in air
Dimant, Y S; Sprangle, P; Penano, J; Romero-Talamas, C A; Granatstein, V L
2012-01-01
A new concept of remote detection of concealed radioactive materials has been recently proposed \\cite{Gr.Nusin.2010}-\\cite{NusinSprangle}. It is based on the breakdown in air at the focal point of a high-power beam of electromagnetic waves produced by a THz gyrotron. To initiate the avalanche breakdown, seed free electrons should be present in this focal region during the electromagnetic pulse. This paper is devoted to the analysis of production of free electrons by gamma rays leaking from radioactive materials. Within a hundred meters from the radiation source, the fluctuating free electrons appear with the rate that may exceed significantly the natural background ionization rate. During the gyrotron pulse of about 10 microsecond length, such electrons may seed the electric breakdown and create sufficiently dense plasma at the focal region to be detected as an unambiguous effect of the concealed radioactive material.
Rapisarda, S.; Ingram, A.; van der Klis, M.
2017-08-01
Timing properties of black hole X-ray binaries in outburst can be modelled with mass accretion rate fluctuations propagating towards the black hole. Such models predict time lags between energy bands due to propagation delays. First application of a propagating fluctuations model to black hole power spectra showed good agreement with the data. Indeed, hard lags observed from these systems appear to be in agreement with this generic prediction. Our propfluc code allows us to simultaneously predict power spectra, time lags and coherence of the variability as a function of energy. This was successfully applied to the Swift data on the black hole MAXI J1659-152, fitting jointly the power spectra in two energy bands and the cross-spectrum between these two bands. In this work, we attempt to model two high signal-to-noise Rossi X-ray Timing Explorer (RXTE) observations of the black hole XTE J1550-564. We find that neither observation can be adequately explained by the model even when considering, additionally to previous propfluc versions, different propagation speeds of the fluctuations. After extensive exploration of model extensions, we tentatively conclude that the quantitative and qualitative discrepancy between model predictions and data is generic to the propagating fluctuations paradigm. This result encourages further investigation of the fundamental hypotheses of the propagating fluctuations model. We discuss some of these hypotheses with an eye to future works.
Tibaldo, L
2015-01-01
Cosmic rays up to at least PeV energies are usually described in the framework of an elementary scenario that involves acceleration by objects that are located in the disk of the Milky Way, such as supernova remnants or massive star-forming regions, and then diffusive propagation throughout the Galaxy. Details of the propagation process are so far inferred mainly from the composition of cosmic rays measured near the Earth and then extrapolated to the whole Galaxy. The details of the propagation in the Galactic halo and the escape into the intergalactic medium remain uncertain. The densities of cosmic rays in specific locations can be traced via the gamma rays they produce in inelastic collisions with clouds of interstellar gas. Therefore, we analyze 73 months of Fermi-LAT data from 300 MeV to 10 GeV in the direction of several high- and intermediate-velocity clouds that are located in the halo of the Milky Way. These clouds are supposed to be free of internal sources of cosmic rays and hence any gamma-ray emi...
Dose calculation method with 60-cobalt gamma rays in total body irradiation
Scaff, L A M
2001-01-01
Physical factors associated to total body irradiation using sup 6 sup 0 Co gamma rays beams, were studied in order to develop a calculation method of the dose distribution that could be reproduced in any radiotherapy center with good precision. The method is based on considering total body irradiation as a large and irregular field with heterogeneities. To calculate doses, or doses rates, of each area of interest (head, thorax, thigh, etc.), scattered radiation is determined. It was observed that if dismagnified fields were considered to calculate the scattered radiation, the resulting values could be applied on a projection to the real size to obtain the values for dose rate calculations. In a parallel work it was determined the variation of the dose rate in the air, for the distance of treatment, and for points out of the central axis. This confirm that the use of the inverse square law is not valid. An attenuation curve for a broad beam was also determined in order to allow the use of absorbers. In this wo...
Jiménez-Mier, J., E-mail: jimenez@nucleares.unam.mx [Instituto de Ciencias Nucleares, UNAM, 04510 México, DF (Mexico); Olalde-Velasco, P. [Instituto de Ciencias Nucleares, UNAM, 04510 México, DF (Mexico); The Advanced Light Source, Lawrence Berkeley Laboratory, Berkeley, CA 94720 (United States); Herrera-Pérez, G.; Carabalí -Sandoval, G. [Instituto de Ciencias Nucleares, UNAM, 04510 México, DF (Mexico); Chavira, E. [Instituto de Investigaciones en Materiales, UNAM, 04510 México, DF (Mexico); Yang, W.-L.; Denlinger, J. [The Advanced Light Source, Lawrence Berkeley Laboratory, Berkeley, CA 94720 (United States)
2014-10-15
Direct probe of Mott–Hubbard (MH) to charge-transfer (CT) insulator transition in the MF{sub 2} (M = Cr–Zn) family of compounds was observed by combining F K and M L X-ray emission spectra (XES). This transition is evident as a crossover of the F-2p and M-3d occupied states. By combining F K XES data with F K edge X-ray absorption (XAS) data we directly obtained values for the M-3d Hubbard energy (U{sub dd}) and the F-2p to M-3d charge-transfer energy (Δ{sub CT}). Our results are in good agreement with the Zaanen–Sawatzky–Allen theory. We also present three examples where X-ray absorption at the transition metal L{sub 2,3} edges is used to study the oxidation state of various strongly correlated transition metal compounds. The metal oxidation state is obtained by direct comparison with crystal field multiplet calculations. The compounds are CrF{sub 2}, members of the La{sub 1−x}Sr{sub x}CoO{sub 3} family, and the MVO{sub 3} (M = La and Y) perovskites.
Dose distribution calculation for in-vivo X-ray fluorescence scanning
Figueroa, R. G. [Universidad de la Frontera, Departamento de Ciencias Fisicas, Av. Francisco Salazar 1145, Temuco 4811230, Araucania (Chile); Lozano, E. [Instituto Nacional del Cancer, Unidad de Fisica Medica, Av. Profesor Zanartu 1010, Santiago (Chile); Valente, M., E-mail: figueror@ufro.cl [Consejo Nacional de Investigaciones Cientificas y Tecnicas, Av. Ravadavia 1917, C1033AAJ, Buenos Aires (Argentina)
2013-08-01
In-vivo X-ray fluorescence constitutes a useful and accurate technique, worldwide established for constituent elementary distribution assessment. Actually, concentration distributions of arbitrary user-selected elements can be achieved along sample surface with the aim of identifying and simultaneously quantifying every constituent element. The method is based on the use of a collimated X-ray beam reaching the sample. However, one common drawback for considering the application of this technique for routine clinical examinations was the lack of information about associated dose delivery. This work presents a complete study of the dose distribution resulting from an in-vivo X-ray fluorescence scanning for quantifying biohazard materials on human hands. Absorbed dose has been estimated by means of dosimetric models specifically developed to this aim. In addition, complete dose distributions have been obtained by means of full radiation transport calculations in based on stochastic Monte Carlo techniques. A dedicated subroutine has been developed using the Penelope 2008 main code also integrated with dedicated programs -Mat Lab supported- for 3 dimensional dose distribution visualization. The obtained results show very good agreement between approximate analytical models and full descriptions by means of Monte Carlo simulations. (Author)
Grechin, S G; Nikolaev, P P [N.E. Bauman Moscow State Technical University, Moscow (Russian Federation); Okhrimchuk, A G [Fiber Optics Research Center, Russian Academy of Sciences, Moscow (Russian Federation)
2014-01-31
We have proposed a technique for calculating the propagation of laser radiation in biaxial optical crystals in arbitrary directions. The technique is based on the use of the Fourier space method and takes into account both diffraction and angle beween the eigenpolarisations of the spatial spectrum components, phase shift differences for them with account for all orders of the spatial dispersion and also the features of the boundary conditions at the input and output facets. Using internal conical refraction as an example, we have compared the results of calculations with experimental data. (nonlinear optical phenomena)
Decaying neutron propagation in the Galaxy and the Cosmic Ray anisotropy at 1 EeV
Bossa, M; Roulet, E; Bossa, Matias; Mollerach, Silvia; Roulet, Esteban
2003-01-01
We study the cosmic ray arrival distribution expected from a source of neutrons in the galactic center at energies around 1 EeV and compare it with the anisotropy detected by AGASA and SUGAR. Besides the point-like signal in the source direction produced by the direct neutrons, an extended signal due to the protons produced in neutron decays is expected. This associated proton signal also leads to an excess in the direction of the spiral arm. For realistic models of the regular and random galactic magnetic fields, the resulting anisotropy as a function of the energy is obtained. We find that for the anisotropy to become sufficiently suppressed below E\\sim 10^{17.9}eV, a significant random magnetic field component is required, while on the other hand, this also tends to increase the angular spread of the associated proton signal and to reduce the excess in the spiral arm direction. The source luminosity required in order that the right ascension anisotropy be 4% for the AGASA angular exposure corresponds to a ...
The role of plasma instabilities in the propagation of gamma-rays from distant Blazars
Saveliev, A.; Evoli, C.; Sigl, G. [Hamburg Univ. (Germany). 2. Inst. fuer Theoretische Physik
2013-11-15
The observation in the GeV band of distant blazars has been recently used to put constraints on the Extragalactic Background Light (EBL) and Extragalactic Magnetic Fields (EGMF). To support such claims one has to assume that the leptonic component of the electromagnetic cascade initiated by blazar gamma-rays is deflected away by strong enough EGMF, suppressing the signal in the Fermi window. Apart from magnetic fields, the development of such a cascade might be affected by plasma instabilities due to interactions with the ionized component of the Intergalactic Medium (IGM). In this paper we model the electromagnetic cascade through a Monte Carlo simulation in which both effects are taken into account separately, and we derive constraints on these scenarios from the combined Fermi-HESS data set. In the specific case of 1ES 0229+200 observations, we show that both explanations of the GeV flux suppression are compatible with the available data, specifically by assuming a magnetic field of B >or similar 10{sup -16} G or an IGM temperature of T
Calculations of magnetic x-ray dichroism in the 3d absorption spectra of rare-earth compounds
GOEDKOOP, JB; THOLE, BT; VANDERLAAN, G; SAWATZKY, GA; DEGROOT, FMF; FUGGLE, JC; de Groot, Frank
1988-01-01
We present atomic calculations for the recently discovered magnetic x-ray dichroism (MXD) displayed by the 3d x-ray-absorption spectra of rare-earth compounds. The spectral shapes expected at T=0 K for linear polarization parallel and normal to the local magnetic field is given, together with the te
Calculation of accurate small angle X-ray scattering curves from coarse-grained protein models
Stovgaard Kasper
2010-08-01
Full Text Available Abstract Background Genome sequencing projects have expanded the gap between the amount of known protein sequences and structures. The limitations of current high resolution structure determination methods make it unlikely that this gap will disappear in the near future. Small angle X-ray scattering (SAXS is an established low resolution method for routinely determining the structure of proteins in solution. The purpose of this study is to develop a method for the efficient calculation of accurate SAXS curves from coarse-grained protein models. Such a method can for example be used to construct a likelihood function, which is paramount for structure determination based on statistical inference. Results We present a method for the efficient calculation of accurate SAXS curves based on the Debye formula and a set of scattering form factors for dummy atom representations of amino acids. Such a method avoids the computationally costly iteration over all atoms. We estimated the form factors using generated data from a set of high quality protein structures. No ad hoc scaling or correction factors are applied in the calculation of the curves. Two coarse-grained representations of protein structure were investigated; two scattering bodies per amino acid led to significantly better results than a single scattering body. Conclusion We show that the obtained point estimates allow the calculation of accurate SAXS curves from coarse-grained protein models. The resulting curves are on par with the current state-of-the-art program CRYSOL, which requires full atomic detail. Our method was also comparable to CRYSOL in recognizing native structures among native-like decoys. As a proof-of-concept, we combined the coarse-grained Debye calculation with a previously described probabilistic model of protein structure, TorusDBN. This resulted in a significant improvement in the decoy recognition performance. In conclusion, the presented method shows great promise for
FDMX: extended X-ray absorption fine structure calculations using the finite difference method.
Bourke, Jay D; Chantler, Christopher T; Joly, Yves
2016-03-01
A new theoretical approach and computational package, FDMX, for general calculations of X-ray absorption fine structure (XAFS) over an extended energy range within a full-potential model is presented. The final-state photoelectron wavefunction is calculated over an energy-dependent spatial mesh, allowing for a complete representation of all scattering paths. The electronic potentials and corresponding wavefunctions are subject to constraints based on physicality and self-consistency, allowing for accurate absorption cross sections in the near-edge region, while higher-energy results are enabled by the implementation of effective Debye-Waller damping and new implementations of second-order lifetime broadening. These include inelastic photoelectron scattering and, for the first time, plasmon excitation coupling. This is the first full-potential package available that can calculate accurate XAFS spectra across a complete energy range within a single framework and without fitted parameters. Example spectra are provided for elemental Sn, rutile TiO2 and the FeO6 octahedron.
Ab initio calculation of optical constants from visible to x-ray energies
Prange, M. P.; Rivas, G.; Ankudinov, A. L.; Rehr, J. J.
2004-03-01
We present a semi-automated approach for ab initio calculations of optical constants of materials from the visible to the hard x-ray energies. The approach is based on a generalization of the real space Green's formalism implemented in the FEFF8 spectroscopy code to include optical spectra. The method includes self-consistent potentials, core-hole and self-energy effects, inelastic losses and a full- or high order multiple-scattering. The procedure is based on calculations of the imaginary part of the dielectric function ɛ2 summed over all edges, from which other optical constants are derived using Kramers-Kronig transforms and analytical relations. These constants include the complex index of refraction, the real part of the dielectric function, and energy loss spectra. In contrast to standard atomic tables, the calculations include solid-state corrections, such as fine structure, Debye-Waller factors, lifetime broadening, etc. Typical results for several materials are presented and compared with experiment.
Nascimento, Josenaide P. do; Santos, Lourivaldo S.; Carmo, Maria Carolina L. do; Brasil, Davi S.B.; Alves, Claudio N., E-mail: nahum@ufpa.b [Universidade Federal do Para (UFPA), Belem, PA (Brazil). Inst. de Ciencias Exatas e Naturais; Santos, Regina Helena A.; Tozzo, Erica; Ferreira, Janaina G. [Universidade de Sao Paulo (IQSC/USP), Sao Carlos, SP (Brazil). Inst. de Quimica
2010-07-01
The synthesis and X-ray crystal diffraction structure of two analogues of neolignans, 2-(4-chlorophenyl)-1-phenylethanone (20) and 2-[(4-chlorophenyl)thio]-1-(3,4-dimethoxyphenyl) propan-1-one (12) is described. The compound 12 presents activity against intracellular Leishmania donovani and Leishmania amazonensis amastigotes that cause cutaneous and visceral leishmaniasis. In addition, the density functional theory (DFT) with the B3LYP hybrid functional was employed to calculate a set of molecular descriptors for nineteen synthetic analogues of neolignans with antileishmanial activities. Afterwards, the stepwise discriminant analysis was performed to investigate possible relationship between the molecular descriptors and biological activities. Through this analysis the compounds were classified into two groups active and inactive according to their degree of biological activities, and the more important properties were charges on some key atoms, electronic affinity and ClogP. (author)
How cosmic-ray electron propagation affects radio-far-infrared correlations in M31 and M33
Berkhuijsen, Elly M; Tabatabaei, Fatemeh S
2013-01-01
We investigate the effect of propagation of cosmic-ray electrons (CRE) on the nonthermal (synchrotron) - far-infrared correlations in M31 and M33. The thermal (TH) and nonthermal (NTH) emission components of the radio continuum emission at 1.4 GHz and one higher frequency are compared with dust emission from M31 and M33 using Spitzer data. In both galaxies the TH emission is linearly correlated with the emission from warm dust (24 \\mu m, 70 \\mu m), but the power laws of the NTH-FIR correlations have exponents b < 1 that increase with increasing frequency. Furthermore, the values of b for M33 are significantly smaller (b ~ 0.4) than those for M31 (b ~ 0.6). We interpret the differences in b as differences in the diffusion length of the CRE. We estimate the diffusion length in two ways: (1) by smoothing the NTH emission at the higher frequency until the correlation with NTH emission at 1.4 GHz has b = 1, and (2) by smoothing the TH emission until the correlation with the NTH emission at the same frequency ha...
无
2000-01-01
The WATEQ4F-based "multiple step method", or the method of running WATEQ4F repeatedly, was used to evaluate the error propagation in computations of water-mineral interactions under the circumstances of constant and varied temperatures due to the uncertainties of input variables. The results show the following: the errors of water chemistry analysis can strongly affect the modelling results of water-mineral reactions; different input variables (errors) have different effects on the saturation indices (S.I.) of different minerals; in many cases, the S.I. errors of minerals change with temperatures.
ZHOU Chun-Mei; WU Zhen-Dong; HUANG Xiao-Long
2005-01-01
Calculations of energies and absolute intensities of Auger electron and X-ray arising from electron capture are introduced briefly. The calculation codes and main process are also presented. The application is also given by taking 55Fe ε decay as an example.
CALCULATION OF MAGNETIC-X-RAY DICHROISM IN 4D AND 5D ABSORPTION-SPECTRA OF ACTINIDES
OGASAWARA, H; KOTANI, A; THOLE, BT
1991-01-01
We present atomic calculations of the magnetic dichroism in 4d and 5d x-ray-absorption (XAS) spectra of trivalent actinide ions. The calculations are carried out for both linearly and circularly polarized light at zero temperature. Large magnetic dichroism is predicted for 5d XAS with
Axford, W. I.; Florinski, V.; Zank, G. P.
2004-12-01
The solar system is traveling through highly inhomogeneous interstellar medium. Our galactic environment (the Local Bubble) is a vast region formed by supernova explosions filled with extremely tenuous fully ionized gas at a temperature of over a million K. Embedded in the Local Bubble are interstellar clouds ranging from cold (Twarm (T ˜ 104 K) and relatively tenuous (n ˜ 0.3 cm-1) partially ionized clouds, such as the Local Cloud where the Sun is currently located. The properties of the cloud control the size and shape of the heliosphere and, consequently, affect the propagation of galactic cosmic rays (GCRs) between the boundary of the modulation region (the heliopause) and Earth. GCRs with energies above several hundred MeV initiate nuclear reactions in the Earth's upper atmosphere producing radioactive isotopes of Beryllium and Carbon that are precipitated on the surface and eventually incorporated into sediments. It is then quite plausible that the history of the variability of the solar environment may be preserved in cosmogenic isotope records available from ice and sea sediment cores dating back more than 100,000 years. Previously, we showed that increasing the density of the cloud surrounding the solar system by a factor of 30 leads to an increase in 1 AU GCR fluxes by a factor of 1.5--3, and that cloud encounters may have been responsible for the observed peaks in 10Be records 35 and 60 thousand years ago. Extending our early model, we now calculate GCR distribution from the solution of the 2D Parker equation using the global model-calculated plasma and magnetic field parameters as a background to determine the diffusion coefficients. Initial results from a more comprehensive investigation of the global structure of the heliosphere embedded in clouds of varying density, from the present conditions in the Local Cloud to the extreme case of dense molecular clouds, are discussed.
X-Ray Absorption Spectra of Amorphous Ices from GW Quasiparticle Calculation
Kong, Lingzhu; Car, Roberto
2013-03-01
We use a GW approach[2] to compute the x-ray absorption spectra of model low- and high-density amorphous ice structures(LDA and HDA)[3]. We include the structural effects of quantum zero point motion using colored-noise Langevin molecular dynamics[4]. The calculated spectra differences in the main and post edge region between LDA and HDA agree well with experimental observations. We attribute these differences to the presence of interstitial molecules within the first coordination shell range in HDA. This assignment is further supported by a calculation of the spectrum of ice VIII, a high-pressure structure that maximizes the number of interstitial molecules and, accordingly, shows a much weaker post-edge feature. We further rationalize the spectral similarity between HDA and liquid water, and between LDA and ice Ih in terms of the respective similarities in the H-bond network topology and bond angle distributions. Supported by grants DOE-DE-SC0005180, DOE DE-SC0008626 and NSF-CHE-0956500.
Xie, Zhinan; Komatitsch, Dimitri; Martin, Roland
2014-01-01
an efficient infinite-domain truncation method suitable for accurately truncating an infinite domain governed by the second-order elastic wave equation written in displacement and computed based on a finite-element (FE) method. In this paper, we make several steps towards this goal. First, we make the 2-D...... in both formulations, in particular if very small mesh elements are present inside the absorbing layer, but we explain how these instabilities can be delayed as much as needed by using a stretching factor to reach numerical stability in practice for applications. Fourthly, in the case of adjoint problems...... with perfectly matched absorbing layers we introduce a computationally efficient boundary storage strategy by saving information along the interface between the CFS-UPML and the main domain only, thus avoiding the need to solve a backward wave propagation problem inside the CFS-UPML, which is known to be highly...
Knippenberg, S; Rehn, D R; Wormit, M; Starcke, J H; Rusakova, I L; Trofimov, A B; Dreuw, A
2012-02-14
An earlier proposed approach to molecular response functions based on the intermediate state representation (ISR) of polarization propagator and algebraic-diagrammatic construction (ADC) approximations is for the first time employed for calculations of nonlinear response properties. The two-photon absorption (TPA) spectra are considered. The hierarchy of the first- and second-order ADC∕ISR computational schemes, ADC(1), ADC(2), ADC(2)-x, and ADC(3/2), is tested in applications to H(2)O, HF, and C(2)H(4) (ethylene). The calculated TPA spectra are compared with the results of coupled cluster (CC) models and time-dependent density-functional theory (TDDFT) calculations, using the results of the CC3 model as benchmarks. As a more realistic example, the TPA spectrum of C(8)H(10) (octatetraene) is calculated using the ADC(2)-x and ADC(2) methods. The results are compared with the results of TDDFT method and earlier calculations, as well as to the available experimental data. A prominent feature of octatetraene and other polyene molecules is the existence of low-lying excited states with increased double excitation character. We demonstrate that the two-photon absorption involving such states can be adequately studied using the ADC(2)-x scheme, explicitly accounting for interaction of doubly excited configurations. Observed peaks in the experimental TPA spectrum of octatetraene are assigned based on our calculations.
Sharaf, J. M.; Saleh, H.
2015-05-01
The shielding properties of three different construction styles, and building materials, commonly used in Jordan, were evaluated using parameters such as attenuation coefficients, equivalent atomic number, penetration depth and energy buildup factor. Geometric progression (GP) method was used to calculate gamma-ray energy buildup factors of limestone, concrete, bricks, cement plaster and air for the energy range 0.05-3 MeV, and penetration depths up to 40 mfp. It has been observed that among the examined building materials, limestone offers highest value for equivalent atomic number and linear attenuation coefficient and the lowest values for penetration depth and energy buildup factor. The obtained buildup factors were used as basic data to establish the total equivalent energy buildup factors for three different multilayer construction styles using an iterative method. The three styles were then compared in terms of fractional transmission of photons at different incident photon energies. It is concluded that, in case of any nuclear accident, large multistory buildings with five layers exterior walls, style A, could effectively attenuate radiation more than small dwellings of any construction style.
Watts, Benjamin
2014-09-22
An algorithm is presented for the calculation of the Kramers-Kronig transform of a spectrum via a piecewise Laurent polynomial method. This algorithm is demonstrated to be highly accurate, while also being computationally efficient. The algorithm places no requirements on data point spacing and is capable of integrating across the full spectrum (i.e. from zero to infinity). Further, we present a computer application designed to aid in calculating the Kramers-Kronig transform on near-edge experimental X-ray absorption spectra (extended with atomic scattering factor data) in order to produce the dispersive part of the X-ray refractive index, including near-edge features.
Ageskog, L.; Jansson, Patrik [VBB Anlaeggning AB (Sweden)
1999-01-01
The purpose of the present study is to demonstrate the modelling of the thermal process in and around the deep repository for spent fuel. The model was developed in the general finite element program ANSYS and applied to the three hypothetical sites Aberg, Beberg and Ceberg included in the SR 97 analyse system. The canister emplacement in the repository was analysed based on certain criteria regarding the temperature on the canister surface. This was done with consideration to natural deviations in various thermal parameters as well as to the risk of a gap opening up between the canister surface and the bentonite buffer. The consequence of the latter was analysed separately as part of the study. The heat load in the model was applied stepwise, followingan assumed time schedule for the actual deposition work. The calculations were extended to 1,000 years after the commencement of the deposition work. The outcome of the calculation is presented as coloured prints of isotherms in and around the repository at certain time intervals.
Electronic structure of RScO{sub 3} from x-ray spectroscopies and first-principles calculations
Derks, Christine; Raekers, Michael; Neumann, Manfred [Department of Physics, University of Osnabrueck, D-49069 Osnabrueck (Germany); Kuepper, Karsten [Departement of Solidstate Physics, Univeristy of Ulm, D-89069 Ulm (Germany); Postnikov, Andree [Laboratoire de Physique des Milieux Denses, Universite Paul Verlaine, Metz (France); Uecker, Reinhard [Institute for Crystal Growth, D-12489 Berlin (Germany)
2010-07-01
Perovskites of the type RScO{sub 3}, where R represents a trivalent rare-earth metal, exhibit an enormous variety of physical properties and can be used for different applications. They are high k materials and belong to the best available thin film substrates for the epitaxial growth of high quality thin films. This allows a so called strain tailoring of ferroelectric, ferromagnetic, or multiferroic perovskite thin films by choosing different RScO{sub 3}. The electronic structures of a series of RScO{sub 3} single crystals are investigated by means of x-ray photoelectron spectroscopy (XPS), X-ray emission spectroscopy (XES), X-ray absorption spectroscopy (XAS) and band structure calculations. By combining XES and XAS measurements together with theoretical calculations the band gaps of the compounds can be accurately determined. The presented results will broaden the complete experimental and theoretical picture of the valence bands of RScO{sub 3} series.
Lim, Sara N.; Pradhan, Anil K.; Nahar, Sultana N.
2013-06-01
When used with X-ray radiotherapy, heavy elements (high atomic number Z or HZ) such as gold(Au) and platinum(Pt) have the potential to greatly sensitize and enhance the damage to tumor tissues. While HZ radiosensitization has been shown to be higly effective in reducing tumor sizes, much work still needs to be done to determine the ideal X-ray energy/energy spectrum. The likelihood of photoelectric absorption of X-rays that result in the production of cell-killing Auger electrons relative to the photon scatter in an HZ sensitized tumor has to be determined for treatments using X-rays from various sources and energies to assess their efficacy. In this report, we present computations that outline the dependence of photoelectric absorption on X-ray energy. The relative X-ray absorption by a radiosensitized tumor was calculated to contrast the efficacy of different X-ray sources in Auger electron production at different tumor depths. Enhanced photoabsorption of low-energy X-rays from broadband sources in the keV range is shown to be much higher than from those in the MeV range. In addition, with the use of the Monte Carlo code package Geant4, we present the total X-ray energy deposited into a radiosensitized tumor located at different depths in a phantom. The enhancement in radiation dose deposition will also be analysed at the microscopic cellular level to determine the HZ radiosensitizer concentration required. Potential use of monochromatic X-rays for more precise HZ radiosensitization will also be described.
Zhao, Shijun; Kang, Wei; Li, Zi; Zhang, Ping; He, Xian-Tu
2015-01-01
Principal Hugoniot and K-shell X-ray absorption spectra of warm dense KCl are calculated using the first-principles molecular dynamics method. Evolution of electronic structures as well as the influence of the approximate description of ionization on pressure (caused by the underestimation of the energy gap between conduction bands and valence bands) in the first-principles method are illustrated by the calculation. Pressure ionization and thermal smearing are shown as the major factors to prevent the deviation of pressure from global accumulation along the Hugoniot. In addition, cancellation between electronic kinetic pressure and virial pressure further reduces the deviation. The calculation of X-ray absorption spectra shows that the band gap of KCl persists after the pressure ionization of the $3p$ electrons of Cl and K taking place at lower energy, which provides a detailed understanding to the evolution of electronic structures of warm dense matter.
Pinter, S.; Dryer, M.
1985-01-01
The relationship between the thermal energy released from 29 solar flares and the propagation features of their associated interplanetary shock waves that were detected at 1 AU is investigated. The 29 interplanetary shock waves were identified unambiguously and their tracking from each solar flare was deduced by tracking their associated interplanetary type-II radio emission. The thermal energy released in the solar flares was estimated from the time-intensity profiles of 1-8 A soft X-ray bursts from each flare. A good relationship is found between the flares' thermal energy with the IP shock-waves' transient velocity and arrival time at the earth - that is, the largest flare energy released is associated with the faster shock waves. Finally, a possible scenario of formation of a shock wave during the early phase of the flare and its propagation features is discussed.
S.A. Rahimi
2005-01-01
Full Text Available Background and purpose : Instalation of protective barrier against diagnostic x-ray is generally done based on the recommendations of NCRP49. There are analytic methods for designing protective barriers howerer, they lack sufficient efficiency and considering the NCRP49 reports, designing mechanical protective barrier in order to protect the initial x-ray radiation and absorption of the ray quality of such radiation is different.Therefore, the protective barrier for each radiation is measured separately. In this study, a computer software was designed to calculate the needed barrier with high accuracy.Materials and methods: Calculation of required protective barrier particularly when two or more generators are in use at diagnostic x-ray units and or installed diagnostic equipments do not have proper room space and the limitations for other clanges in parameters which are time- consuming and impossible to be manually calculated. For proper determination of thichness of the protective barrier, relevant information about curves of radiation weakness, dose limit etc should be entered. This program was done in windows and designed in such a way that the operator works easily, flexibility of the program is acceptable and its accuracy and sensitivity is high.Results : Results of this program indicate that, in most cases, in x-ray units required protective barrier was not used. Meanwhile sometimes shielding is more than what required which lacks technical standards and cost effectiveness. When the application index is contrasting zero, thichness of NCRP49 calculation is about 20% less than the calculated rate done by the method of this study. When the applied index is equal to zero (that is the only situation where the second barrier is considered, thickness of requined barrier is about 15% less than the lead barrier and concrete barrier calculated in this project is 8% less than that calculated by McGuire method.Conclusion : In this study proper
FENG Shimeng; YI Kui; ZHAO Qiang; TANG Zaosen; FAN Zhengxiou
2000-01-01
This paper integrates the roughness with the diffuse layer as a transited layer factor for study of influence of the practical interface on the X-ray diffraction intensity of multilayer. By the study of a simple model of transited layer presented in this paper, it is given a formula to describe the quantitative relation of the transited layer with the X-ray diffraction intensity. The calculated thickness of transited layer of Mo/Si multilayer is given, which is consisted with the values measured with the high resolution microscopy.
Ihara, Hitoshi; Katakura, Jun-ichi; Nakagawa, Tsuneo [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment
1995-11-01
In a nuclear reactor radioactive nuclides are generated and depleted with burning up of nuclear fuel. The radioactive nuclides, emitting {gamma} ray and {beta} ray, play role of radioactive source of decay heat in a reactor and radiation exposure. In safety evaluation of nuclear reactor and nuclear fuel cycle, it is needed to estimate the number of nuclides generated in nuclear fuel under various burn-up condition of many kinds of nuclear fuel used in a nuclear reactor. FPGS90 is a code calculating the number of nuclides, decay heat and spectrum of emitted {gamma} ray from fission products produced in a nuclear fuel under the various kinds of burn-up condition. The nuclear data library used in FPGS90 code is the library `JNDC Nuclear Data Library of Fission Products - second version -`, which is compiled by working group of Japanese Nuclear Data Committee for evaluating decay heat in a reactor. The code has a function of processing a so-called evaluated nuclear data file such as ENDF/B, JENDL, ENSDF and so on. It also has a function of making figures of calculated results. Using FPGS90 code it is possible to do all works from making library, calculating nuclide generation and decay heat through making figures of the calculated results. (author).
Comptomization and radiation spectra of X-ray sources. Calculation of the Monte Carlo method
Pozdnyakov, L. A.; Sobol, I. M.; Sonyayev, R. A.
1980-01-01
The results of computations of the Comptomization of low frequency radiation in weakly relativistic plasma are presented. The influence of photoabsorption by iron ions on a hard X-ray spectrum is considered.
Wan, A.S.; Cauble, R.; Da Silva, L.B.; Libby, S.B.; Moreno, J.C.
1996-02-01
This report summarizes the major accomplishments of this three-year Laboratory Directed Research and Development (LDRD) Exploratory Research Project (ERP) entitled ``X-ray Laser Propagation and Coherence: Diagnosing Fast-evolving, High-density Laser Plasmas Using X-ray Lasers,`` tracking code 93-ERP-075. The most significant accomplishment of this project is the demonstration of a new laser plasma diagnostic: a soft x-ray Mach-Zehnder interferometer using a neonlike yttrium x-ray laser at 155 {angstrom} as the probe source. Detailed comparisons of absolute two-dimensional electron density profiles obtained from soft x-ray laser interferograms and profiles obtained from radiation hydrodynamics codes, such as LASNEX, will allow us to validate and benchmark complex numerical models used to study the physics of laser-plasma interactions. Thus the development of soft x-ray interferometry technique provides a mechanism to probe the deficiencies of the numerical models and is an important tool for, the high-energy density physics and science-based stockpile stewardship programs. The authors have used the soft x-ray interferometer to study a number of high-density, fast evolving, laser-produced plasmas, such as the dynamics of exploding foils and colliding plasmas. They are pursuing the application of the soft x-ray interferometer to study ICF-relevant plasmas, such as capsules and hohlraums, on the Nova 10-beam facility. They have also studied the development of enhanced-coherence, shorter-pulse-duration, and high-brightness x-ray lasers. The utilization of improved x-ray laser sources can ultimately enable them to obtain three-dimensional holographic images of laser-produced plasmas.
Calculating the X-Ray Fluorescence from the Planet Mercury Due to High-Energy Electrons
Burbine, T. H.; Trombka, J. I.; Bergstrom, P. M., Jr.; Christon, S. P.
2005-01-01
The least-studied terrestrial planet is Mercury due to its proximity to the Sun, which makes telescopic observations and spacecraft encounters difficult. Our lack of knowledge about Mercury should change in the near future due to the recent launching of MESSENGER, a Mercury orbiter. Another mission (BepiColombo) is currently being planned. The x-ray spectrometer on MESSENGER (and planned for BepiColombo) can characterize the elemental composition of a planetary surface by measuring emitted fluorescent x-rays. If electrons are ejected from an atom s inner shell by interaction with energetic particles such as photons, electrons, or ions, electrons from an outer shell can transfer to the inner shell. Characteristic x-rays are then emitted with energies that are the difference between the binding energy of the ion in its excited state and that of the ion in its ground state. Because each element has a unique set of energy levels, each element emits x-rays at a unique set of energies. Electrons and ions usually do not have the needed flux at high energies to cause significant x-ray fluorescence on most planetary bodies. This is not the case for Mercury where high-energy particles were detected during the Mariner 10 flybys. Mercury has an intrinsic magnetic field that deflects the solar wind, resulting in a bow shock in the solar wind and a magnetospheric cavity. Electrons and ions accelerated in the magnetosphere tend to follow its magnetic field lines and can impact the surface on Mercury s dark side Modeling has been done to determine if x-ray fluorescence resulting from the impact of high-energy electrons accelerated in Mercury's magnetosphere can be detected by MESSENGER. Our goal is to understand how much bulk chemical information can be obtained from x-ray fluorescence measurements on the dark side of Mercury.
Matos, Maria J.; Uriarte, Eugenio; Santana, Lourdes; Vilar, Santiago
2013-06-01
Compounds 1 (4-methyl-N-(coumarin-3-yl)benzamide) and 2 ((coumarin-3-yl)-4-methylbenzoate) were synthesized by linking the coumarin system (3-aminocoumarin or 3-hydroxycoumarin, respectively) to a p-toluoylchloride. 1H and 13C NMR and X-ray diffractometry determined the molecular structures of both derivatives. The X-ray results were compared to those obtained by conformational analysis followed by semiempirical methodologies (AM1 and PM3). The theoretical calculations yielded results reproducing the whole three-dimensional (3D) structure of both molecules in a good agreement with X-ray structural analysis. The global structures of the two compounds are very similar in the two studied environments, meaning that the structural determination in the gas phase can be extrapolated. A comparative study between compounds 1 and 2, based on the structural results, was carried out.
Baguena, A.; Shaw, M.; Williart, A. [Universidad Nacional de Educacion a Distancia, Dpto. Fisica de los Materiales, Madrid (Spain); Baguena, A. [Consejo de Seguridad Nuclear, Madrid (Spain); Garcia, G. [Instituto de Matematicas y Fisica Fundamental, Consejo Superior de Investigaciones Cientificas, Madrid (Spain)
2006-07-01
We describe the calculations and preliminary measures made for the installation of a X-ray generator tube. This device is going to be used for the secondary electron production from photonic primary radiation of up to 125 keV. With this experimental system, we will study the energetic and space distribution of produced secondary electrons by obtaining its spectrum of energies and its angular distribution. This method of measurement is going to be applied in different targets of radiological, environmental and biological interest. Calculations in the present article include: theoretical yield of X-rays production of the designed equipment, necessary shielding for the radiological safety of the installation staff, and an estimated dose due to their use. Characteristics of the installation and the equipment are described with this purpose. (author)
Sukhovoj, A M; Khitrov, V A
2001-01-01
The level density and radiative strength functions which accurately reproduce the experimental intensity of two- step cascades after thermal neutron capture and the total radiative widths of the compound states were applied to calculate the total gamma-ray spectra from the (n,gamma) reaction. In some cases, analysis showed far better agreement with experiment and gave insight into possible ways in which these parameters need to be corrected for further improvement of calculation accuracy for the cascade gamma-decay of heavy nuclei.
Szafran, M.; Katrusiak, A.; Dega-Szafran, Z.; Kowalczyk, I.
2013-01-01
The structure of dimethylphenyl betaine hydrochloride (1) has been studied by X-ray diffraction, DFT calculations, NMR and FTIR spectra. The crystals are monoclinic, space group P21/c. In the crystal, the Cl- anion is connected with protonated betaine through the O-H⋯Cl- hydrogen bond of 2.943(2) Å. The structures in the gas phase (2) and water solution (3) have been optimized by the B3LYP/6-311++G(d,p) approach and the geometrical results have been compared with the X-ray data of 1. The FTIR spectrum of the solid compound is consistent with the X-ray results. The probable assignments of the anharmonic experimental vibrational frequencies of the investigated chloride (1) based on the calculated harmonic frequencies in water solution (3) are proposed. The correlations between the experimental 1H and 13C NMR chemical shifts (δexp) of 1 in D2O and the magnetic isotropic shielding constants (σcalc) calculated by the GIAO/B3LYP/6-311G++(d,p) approach, using the screening solvation model (COSMO), δexp = a + b σcalc, for optimized molecule 3 in water solution are linear and correctly reproduce the experimental chemical shifts.
On the calculation of x-ray scattering signals from pairwise radial distribution functions
Dohn, Asmus Ougaard; Biasin, Elisa; Haldrup, Kristoffer;
2015-01-01
We derive a formulation for evaluating (time-resolved) x-ray scattering signals of solvated chemical systems, based on pairwise radial distribution functions, with the aim of this formulation to accompany molecular dynamics simulations. The derivation is described in detail to eliminate any possi...
Bos, M.; Weber, H.T.; Weber, H.T.
1991-01-01
Neural networks are shown to be useful as empirical mathematical models in the calculation of quantitative analytical results, giving sufficient accuracy to compete successfully with various common calibration procedures. The performance of these neural-network models for calibration data from x-ray
Baisch, Ulrich; Pagano, Sandro; Zeuner, Martin; Barros, Noémi; Maron, Laurent; Schnick, Wolfgang
2006-06-14
The decomposition process of ammine lanthanide metallocenes was studied by X-ray diffractometry, spectroscopy and theoretical investigations. A series of ammine-tris(eta(5)-cyclopentadienyl)lanthanide(III) complexes 1-Ln (Lanthanide (Ln)=Sm, Gd, Dy, Ho, Er, Yb) was synthesised by the reaction of [Cp(3)Ln] complexes (Cp=cyclopentadienyl) with liquid ammonia at -78 degrees C and structurally characterised by X-ray diffraction methods, mass spectrometry and vibrational (IR, Raman) spectroscopy. Furthermore, amido-bis(eta(5)-cyclopentadienyl)lanthanide(III) complexes 2-Ln (Ln=Dy, Ho, Er, Yb) were synthesised by heating the respective ammine adduct 1-Ln in an inert gas atmosphere at temperatures of between 240 and 290 degrees C. X-ray diffraction studies, mass spectrometry and vibrational (IR, Raman) spectroscopy were carried out for several 2-Ln species and proved the formation of dimeric mu(2)-bridged compounds. Species 1-Ln are highly reactive coordination compounds and showed different behaviour regarding the decomposition to 2-Ln. The reaction of 1-Ln and 2-Ln with inorganic bases yielded lanthanide nitride LnN powders with an estimated crystallite size of between 40 and 90 nm at unprecedented low temperatures of 240 to 300 degrees C. Temperature-dependent X-ray powder diffraction and transmission electron microscopy (TEM) investigations were performed and showed that the decomposition reaction yielded nanocrystalline material. Structural optimisations were carried out for 1-Ln and 2-Ln by employing density functional (DFT) calculations. A good agreement was found between the observed and calculated structural parameters. Also, Gibbs free energies were calculated for 1-Ln, 2-Ln and the pyrolysis reaction to the nitride material, and were found to fit well with the expected ranges.
Kolkoori, Sanjeevareddy
2014-07-01
Austenitic welds and dissimilar welds are extensively used in primary circuit pipes and pressure vessels in nuclear power plants, chemical industries and fossil fuelled power plants because of their high fracture toughness, resistance to corrosion and creep at elevated temperatures. However, cracks may initiate in these weld materials during fabrication process or stress operations in service. Thus, it is very important to evaluate the structural integrity of these materials using highly reliable non-destructive testing (NDT) methods. Ultrasonic non-destructive inspection of austenitic welds and dissimilar weld components is complicated because of anisotropic columnar grain structure leading to beam splitting and beam deflection. Simulation tools play an important role in developing advanced reliable ultrasonic testing (UT) techniques and optimizing experimental parameters for inspection of austenitic welds and dissimilar weld components. The main aim of the thesis is to develop a 3D ray tracing model for quantitative evaluation of ultrasonic wave propagation in an inhomogeneous anisotropic austenitic weld material. Inhomogenity in the anisotropic weld material is represented by discretizing into several homogeneous layers. According to ray tracing model, ultrasonic ray paths are traced during its energy propagation through various discretized layers of the material and at each interface the problem of reflection and transmission is solved. The influence of anisotropy on ultrasonic reflection and transmission behaviour in an anisotropic austenitic weld material are quantitatively analyzed in three dimensions. The ultrasonic beam directivity in columnar grained austenitic steel material is determined three dimensionally using Lamb's reciprocity theorem. The developed ray tracing model evaluates the transducer excited ultrasonic fields accurately by taking into account the directivity of the transducer, divergence of the ray bundle, density of rays and phase
Natsume, Yutaka; Kohno, Teiichiro; Minakata, Takashi; Konishi, Tokuzo; Gullikson, Eric M; Muramatsu, Yasuji
2012-02-16
The chemical states of organic semiconductors were investigated by total-electron-yield soft X-ray absorption spectroscopy (TEY-XAS) and first-principles calculations. The organic semiconductors, pentacene (C(22)H(14)) and pentacenequinone (C(22)H(12)O(2)), were subjected to TEY-XAS and the experimental spectra obtained were compared with the 1s core-level excited spectra of C and O atoms, calculated by a first-principles planewave pseudopotential method. Excellent agreement between the measured and the calculated spectra were obtained for both materials. Using this methodology, we examined the chemical states of the aged pentacene, and confirmed that both C-OH and C═O chemical bonds are generated by exposure to air. This result implies that not only oxygen but also humidity causes pentacene oxidation.
On the calculation of x-ray scattering signals from pairwise radial distribution functions
Dohn, Asmus Ougaard; Biasin, Elisa; Haldrup, Kristoffer;
2015-01-01
We derive a formulation for evaluating (time-resolved) x-ray scattering signals of solvated chemical systems, based on pairwise radial distribution functions, with the aim of this formulation to accompany molecular dynamics simulations. The derivation is described in detail to eliminate any possi...... possible ambiguities, and the result includes a modification to the atom-type formulation which to our knowledge is previously unaccounted for. The formulation is numerically implemented and validated.......We derive a formulation for evaluating (time-resolved) x-ray scattering signals of solvated chemical systems, based on pairwise radial distribution functions, with the aim of this formulation to accompany molecular dynamics simulations. The derivation is described in detail to eliminate any...
Dose estimation and shielding calculation for X-ray hazard at high intensity laser facilities
Qiu, Rui; Zhang, Hui; Yang, Bo; James, C. Liu; Sayed, H. Rokni; Michael, B. Woods; Li, Jun-Li
2014-12-01
An ionizing radiation hazard produced from the interaction between high intensity lasers and solid targets has been observed. Laser-plasma interactions create “hot” electrons, which generate bremsstrahlung X-rays when they interact with ions in the target. However, up to now only limited studies have been conducted on this laser-induced radiological protection issue. In this paper, the physical process and characteristics of the interaction between high intensity lasers and solid targets are analyzed. The parameters of the radiation sources are discussed, including the energy conversion efficiency from laser to hot electrons, hot electron energy spectrum and electron temperature, and the bremsstrahlung X-ray energy spectrum produced by hot electrons. Based on this information, the X-ray dose generated with high-Z targets for laser intensities between 1014 and 1020 W/cm2 is estimated. The shielding effects of common shielding items such as the glass view port, aluminum chamber wall and concrete wall are also studied using the FLUKA Monte Carlo code. This study provides a reference for the dose estimation and the shielding design of high intensity laser facilities.
A new method for the calculation of Sommerfeld screening parameter 1 in x-ray spectra
U D Misra; S Chaturvedi
2001-06-01
The paper describes a new method for the calculation of the Sommerfeld screening parameter 1. It requires neither the knowledge of the energy separations of spin doublet levels nor is it based on the application of the Hertz law. The only data required for the calculation are the experimental energy values of the level concerned for the series of elements belonging to the same subshell in which the element in the question is situated. As an illustration the values of 1 are calculated for the 1, 2 and 3 levels for elements belonging to the 4 subshell and these are found to be in excellent agreement with those published earlier by Gokhale and Misra. The method brings out the constancy of 1(23)-1(1) in a natural way and may thus be regarded as providing theoretical explanation of the Hertz law.
Jacobsen, Hjalte Sylvest; Puig-Molina, A.; Dalskov, N.
2016-01-01
properly, cracks may arise and propagate during the sintering of the tablets. This can lead to weak sintered tablets that get rejected in the quality control. For this work, crack-containing samples of rejected tabletized support were provided. The formation, growth and closure of internal cracks during......For hydrogen production, by steam reforming, porous ceramics are broadly used as catalyst support, due to their stability and ease in shaping. Catalyst supports in the form of tablets are conventionally produced by powder pressing and subsequent sintering. However, if the process is not done...
Propagator based formalism for optimizing in-line phase contrast imaging in laboratory X-ray setups.
Balles, Andreas; Zabler, Simon; Ebensperger, Thomas; Fella, Christian; Hanke, Randolf
2016-09-01
We derive a propagator based formalism for optimizing phase contrast imaging in laboratory setups as well as in synchrotron setups. We confirm based on five different setups the well known existence of an optimum position for the sample in terms of phase contrast by measuring two types of fibers and evaluating the fringe contrast. Furthermore, we demonstrate for these setups a correlation of our formula and the fringe contrast. Hence, an estimate of this optimum position is given by our formalism which only depends on the source size, the detector blurring, and the total distance between source and detector.
Calculation of accurate small angle X-ray scattering curves from coarse-grained protein models
Stovgaard, Kasper; Andreetta, Christian; Ferkinghoff-Borg, Jesper
2010-01-01
the computationally costly iteration over all atoms. We estimated the form factors using generated data from a set of high quality protein structures. No ad hoc scaling or correction factors are applied in the calculation of the curves. Two coarse-grained representations of protein structure were investigated; two...... CRYSOL, which requires full atomic detail. Our method was also comparable to CRYSOL in recognizing native structures among native-like decoys. As a proof-of-concept, we combined the coarse-grained Debye calculation with a previously described probabilistic model of protein structure, Torus...
Tang Ming; Sperling, Lindsay J.; Berthold, Deborah A. [University of Illinois at Urbana-Champaign, Department of Chemistry (United States); Schwieters, Charles D. [National Institutes of Health, Division of Computational Bioscience, Center for Information Technology (United States); Nesbitt, Anna E.; Nieuwkoop, Andrew J.; Gennis, Robert B.; Rienstra, Chad M., E-mail: rienstra@scs.illinois.edu [University of Illinois at Urbana-Champaign, Department of Chemistry (United States)
2011-11-15
X-ray diffraction and nuclear magnetic resonance spectroscopy (NMR) are the staple methods for revealing atomic structures of proteins. Since crystals of biomolecular assemblies and membrane proteins often diffract weakly and such large systems encroach upon the molecular tumbling limit of solution NMR, new methods are essential to extend structures of such systems to high resolution. Here we present a method that incorporates solid-state NMR restraints alongside of X-ray reflections to the conventional model building and refinement steps of structure calculations. Using the 3.7 A crystal structure of the integral membrane protein complex DsbB-DsbA as a test case yielded a significantly improved backbone precision of 0.92 A in the transmembrane region, a 58% enhancement from using X-ray reflections alone. Furthermore, addition of solid-state NMR restraints greatly improved the overall quality of the structure by promoting 22% of DsbB transmembrane residues into the most favored regions of Ramachandran space in comparison to the crystal structure. This method is widely applicable to any protein system where X-ray data are available, and is particularly useful for the study of weakly diffracting crystals.
Site- and phase-selective x-ray absorption spectroscopy based on phase-retrieval calculation
Kawaguchi, Tomoya; Fukuda, Katsutoshi; Matsubara, Eiichiro
2017-03-01
Understanding the chemical state of a particular element with multiple crystallographic sites and/or phases is essential to unlocking the origin of material properties. To this end, resonant x-ray diffraction spectroscopy (RXDS) achieved through a combination of x-ray diffraction (XRD) and x-ray absorption spectroscopy (XAS) techniques can allow for the measurement of diffraction anomalous fine structure (DAFS). This is expected to provide a peerless tool for electronic/local structural analyses of materials with complicated structures thanks to its capability to extract spectroscopic information about a given element at each crystallographic site and/or phase. At present, one of the major challenges for the practical application of RXDS is the rigorous determination of resonant terms from observed DAFS, as this requires somehow determining the phase change in the elastic scattering around the absorption edge from the scattering intensity. This is widely known in the field of XRD as the phase problem. The present review describes the basics of this problem, including the relevant background and theory for DAFS and a guide to a newly-developed phase-retrieval method based on the logarithmic dispersion relation that makes it possible to analyze DAFS without suffering from the intrinsic ambiguities of conventional iterative-fitting. Several matters relating to data collection and correction of RXDS are also covered, with a final emphasis on the great potential of powder-sample-based RXDS (P-RXDS) to be used in various applications relevant to practical materials, including antisite-defect-type electrode materials for lithium-ion batteries.
Zápražný, Zdenko; Korytár, Dušan; Jergel, Matej; Šiffalovič, Peter; Dobročka, Edmund; Vagovič, Patrik; Ferrari, Claudio; Mikulík, Petr; Demydenko, Maksym; Mikloška, Marek
2015-03-01
We present the numerical optimization and the technological development progress of x-ray optics based on asymmetric germanium crystals. We show the results of several basic calculations of diffraction properties of germanium x-ray crystal monochromators and of an analyzer-based imaging method for various asymmetry factors using an x-ray energy range from 8 to 20 keV. The important parameter of highly asymmetric monochromators as image magnifiers or compressors is the crystal surface quality. We have applied several crystal surface finishing methods, including advanced nanomachining using single-point diamond turning (SPDT), conventional mechanical lapping, chemical polishing, and chemomechanical polishing, and we have evaluated these methods by means of atomic force microscopy, diffractometry, reciprocal space mapping, and others. Our goal is to exclude the chemical etching methods as the final processing technique because it causes surface undulations. The aim is to implement very precise deterministic methods with a control of surface roughness down to 0.1 nm. The smallest roughness (˜0.3 nm), best planarity, and absence of the subsurface damage were observed for the sample which was machined using an SPDT with a feed rate of 1 mm/min and was consequently polished using a fine polishing 15-min process with a solution containing SiO2 nanoparticles (20 nm).
Analysis of the KROTOS KFC test by coupling X-Ray image analysis and MC3D calculations
Brayer, C.; Charton, A.; Grishchenko, D.; Fouquart, P.; Bullado, Y.; Compagnon, F.; Correggio, P.; Cassiaut-Louis, N.; Piluso, P. [Commissariat a l' Energie Atomique et Aux Energies Alternatives, CEA Cadarache, DEN, F-13108 Saint-Paul-Les-Durance (France)
2012-07-01
During a hypothetical severe accident sequence in a Pressurized Water Reactor (PWR), the hot molten materials (corium) issuing from the degraded reactor core may generate a steam explosion if they come in contact with water and may damage the structures and threaten the reactor integrity. The SERENA program is an international OECD project that aims at helping the understanding of this phenomenon also called Fuel Coolant Interaction (FCI) by providing data. CEA takes part in this program by performing tests in its KROTOS facility where steam explosions using prototypic corium can be triggered. Data about the different phases in the premixing are extracted from the KROTOS X-Ray radioscopy images by using KIWI software (KROTOS Image analysis of Water-corium Interaction) currently developed by CEA. The MC3D code, developed by IRSN, is a thermal-hydraulic multiphase code mainly dedicated to FCI studies. It is composed of two applications: premixing and explosion. An overall FCI calculation with MC3D requires a premixing calculation followed by an explosion calculation. The present paper proposes an alternative approach in which all the features of the premixing are extracted from the X-Ray pictures using the KIWI software and transferred to an MC3D dataset for a direct simulation of the explosion. The main hypothesis are discussed as well as the first explosion results obtained with MC3D for the KROTOS KFC test. These results are rather encouraging and are analyzed on the basis of comparisons with the experimental data. (authors)
X-ray magnetic dichroism in (Zn,Mn)O diluted magnetic semiconductors: First-principles calculations
Antonov, V. N.; Bekenov, L. V.; Mazur, D. V.; Germash, L. P.
2012-06-01
The electronic structure of (Zn,Mn)O diluted magnetic semiconductors was investigated theoretically from first principles by using the fully-relativistic Dirac linear muffin-tin orbital band structure method with the local spin-density approximation (LSDA) and the LSDA+ U approach. The X-ray magnetic circular dichroism (XMCD) spectra at the Mn, Zn, and O K and Mn L 2,3 edges were investigated theoretically from first principles. The origin of the XMCD spectra in these compounds was examined. The effect of oxygen vacancy atoms was found to be crucial for the X-ray magnetic dichroism at the Mn L 2,3 edges. The calculated results are compared with available experimental data.
Bouldi, N.; Vollmers, N. J.; Delpy-Laplanche, C. G.; Joly, Y.; Juhin, A.; Sainctavit, Ph.; Brouder, Ch.; Calandra, M.; Paulatto, L.; Mauri, F.; Gerstmann, U.
2017-08-01
An efficient first-principles approach to calculate x-ray magnetic circular dichroism (XMCD) and x-ray natural circular dichroism (XNCD) is developed and applied in the near-edge region at the K and L1 edges in solids. Computation of circular dichroism requires precise calculations of x-ray absorption spectra (XAS) for circularly polarized light. For the derivation of the XAS cross section, we used a relativistic description of the photon-electron interaction that results in an additional term in the cross section that couples the electric dipole operator with an operator σ .(ɛ ×r ) that we call the spin position operator. The numerical method relies on pseudopotentials, on the gauge including projected augmented-wave method, and on a collinear spin relativistic description of the electronic structure. We apply the method to calculations of K -edge XMCD spectra of ferromagnetic iron, cobalt, and nickel and of I L1-edge XNCD spectra of α -LiIO3 , a compound with broken inversion symmetry. For XMCD spectra we find that, even if the electric dipole term is the dominant one, the electric quadrupole term is not negligible (8% in amplitude in the case of iron). The term coupling the electric dipole operator with the spin-position operator is significant (28% in amplitude in the case of iron). We obtain a sum rule relating this term to the spin magnetic moment of the p states. In α -LiIO3 we recover the expected angular dependence of the XNCD spectra.
Finite and infinite system gamma ray buildup factor calculations with detailed physics.
Atak, Haluk; Çelikten, Osman Şahin; Tombakoğlu, Mehmet
2015-11-01
Examination of physical interactions of photons in materials is a significant subject for buildup factor studies. In most of the buildup calculations, by default, coherent (Rayleigh) scattering is ignored and the Compton scattering is modeled by free-electron Klein-Nishina formula with "simple physics" treatment. In this work, photon buildup factors are calculated for many different cases including "detailed physics" by taking into account coherent and bound-electron Compton scatterings with the Monte Carlo code, MCNP5, and the results are compared with the literature values. They are computed for point isotropic photon sources up to depths of 20 mean free paths and at the three photon energies most widely used (0.06, 0.6 and 6MeV). Calculations are made for both finite and infinite homogeneous ordinary water media. It is concluded that Coherent scattering is very dominant at low energies and for deep penetrations and assumed physical approximation (simple/detailed, finite/infinite) is the critical point for determining shielding material dimensions. After all, it can be stated that all parametric assumptions should be clearly given and indicated in the tabulation of photon buildup factors.
Calculation of organ doses in x-ray examinations of premature babies.
Smans, Kristien; Tapiovaara, Markku; Cannie, Mieke; Struelens, Lara; Vanhavere, Filip; Smet, Marleen; Bosmans, Hilde
2008-02-01
Lung disease represents one of the most life-threatening conditions in prematurely born children. In the evaluation of the neonatal chest, the primary and most important diagnostic study is the chest radiograph. Since prematurely born children are very sensitive to radiation, those radiographs may lead to a significant radiation detriment. Knowledge of the radiation dose is therefore necessary to justify the exposures. To calculate doses in the entire body and in specific organs, computational models of the human anatomy are needed. Using medical imaging techniques, voxel phantoms have been developed to achieve a representation as close as possible to the anatomical properties. In this study two voxel phantoms, representing prematurely born babies, were created from computed tomography- and magnetic resonance images: Phantom 1 (1910 g) and Phantom 2 (590 g). The two voxel phantoms were used in Monte Carlo calculations (MCNPX) to assess organ doses. The results were compared with the commercially available software package PCXMC in which the available mathematical phantoms can be downsized toward the prematurely born baby. The simple phantom-scaling method used in PCXMC seems to be sufficient to calculate doses for organs within the radiation field. However, one should be careful in specifying the irradiation geometry. Doses in organs that are wholly or partially outside the primary radiation field depend critically on the irradiation conditions and the phantom model.
Jayatilaka, Dylan; Dittrich, Birger
2008-05-01
An approach is outlined for X-ray structure refinement using atomic density fragments obtained by Hirshfeld partitioning of quantum-mechanical density fragments. Results are presented for crystal structure refinements of urea and benzene using these 'Hirshfeld atoms'. Using this procedure, the quantum-mechanical non-spherical electron density is taken into account in the structural model based on the conformation found in the crystal. Contrary to current consensus in structure refinement, the anisotropic displacement parameters of H atoms can be reproduced from neutron diffraction measurements simply from a least-squares fit using the Hirshfeld atoms derived from the BLYP level of theory and including a simple point-charge model to treat the crystal environment.
A model of galactic cosmic rays for use in calculating linear energy transfer spectra
Chen, J.; Chenette, D.; Clark, R.; Garcia-Munoz, M.; Guzik, T. G.; Pyle, K. R.; Sang, Y.; Wefel, J. P.
1994-01-01
The Galactic Cosmic Rays (GCR) contain fully stripped nuclei, from Hydrogen to beyond the Iron group, accelerated to high energies and are a major component of the background radiation encountered by satellites and interplanetary spacecraft. This paper presents a GCR model which is based upon our current understanding of the astrophysics of GCR transport through interstellar and interplanetary space. The model can be used to predict the energy spectra for all stable and long-lived radioactive species from H to Ni over an energy range from 50 to 50,000 MeV/nucleon as a function of a single parameter, the solar modulation level phi. The details of this model are summarized, phi is derived for the period 1974 to present, and results from this model during the 1990/1991 Combined Release and Radiation Effects Satellite (CRRES) mission are presented.
Sarmiento-Pérez, Rafael; Botti, Silvana; Schnohr, Claudia S.; Lauermann, Iver; Rubio, Angel; Johnson, Benjamin
2014-09-01
Element-specific unoccupied electronic states of Cu(In, Ga)S2 were studied as a function of the In/Ga ratio by combining X-ray absorption spectroscopy with density functional theory calculations. The S absorption edge shifts with changing In/Ga ratio as expected from the variation of the band gap. In contrast, the cation edge positions are largely independent of composition despite the changing band gap. This unexpected behavior is well reproduced by our calculations and originates from the dependence of the electronic states on the local atomic environment. The changing band gap arises from a changing spatial average of these localized states with changing alloy composition.
Sarmiento-Pérez, Rafael; Botti, Silvana, E-mail: silvana.botti@univ-lyon1.fr [Institut Lumière Matière and ETSF, UMR5306 Université Lyon 1-CNRS, Université de Lyon, F-69622 Villeurbanne Cedex (France); Schnohr, Claudia S., E-mail: c.schnohr@uni-jena.de [Institut für Festkörperphysik, Friedrich-Schiller-Universität Jena, Max-Wien-Platz 1, 07743 Jena (Germany); Lauermann, Iver [Helmholtz-Zentrum Berlin für Materialien und Energie, Hahn-Meitner Platz 1, 14109 Berlin (Germany); Rubio, Angel [Nano-Bio Spectroscopy Group and ETSF Scientific Development Centre, Departamento de Física de Materiales, Centro de Física de Materiales CSIC-MPC and DIPC, Universidad del País Vasco UPV/EHU, Avenida de Tolosa 72, E-20018 San Sebastián (Spain); Fritz Haber Institute, Max Planck Society, Faradayweg 4-6, 14195 Berlin (Germany); Johnson, Benjamin, E-mail: benjamin.johnson@alumni.tu-berlin.de [Fritz Haber Institute, Max Planck Society, Faradayweg 4-6, 14195 Berlin (Germany)
2014-09-07
Element-specific unoccupied electronic states of Cu(In, Ga)S{sub 2} were studied as a function of the In/Ga ratio by combining X-ray absorption spectroscopy with density functional theory calculations. The S absorption edge shifts with changing In/Ga ratio as expected from the variation of the band gap. In contrast, the cation edge positions are largely independent of composition despite the changing band gap. This unexpected behavior is well reproduced by our calculations and originates from the dependence of the electronic states on the local atomic environment. The changing band gap arises from a changing spatial average of these localized states with changing alloy composition.
Yu, Hao; Rossi, Giammarco; Braglia, Andrea; Perrone, Guido
2016-08-10
The paper presents the development of a tool based on a back-propagation artificial neural network to assist in the accurate positioning of the lenses used to collimate the beam from semiconductor laser diodes along the so-called fast axis. After training using a Gaussian beam ray-equivalent model, the network is capable of indicating the tilt, decenter, and defocus of such lenses from the measured field distribution, so the operator can determine the errors with respect to the actual lens position and optimize the diode assembly procedure. An experimental validation using a typical configuration exploited in multi-emitter diode module assembly and fast axis collimating lenses with different focal lengths and numerical apertures is reported.
Arifuzzaman Rajib
2016-08-01
Full Text Available This paper presents possibility of detecting the presence of Chromium (Cr in poultry in Rajshahi area using X-ray fluorescence (XRF technique. It also investigates the propagation of Cr from poultry feeds to chicken flesh. Poultry feeds were collected from different vendors at Rajshahi. It was found that some of the locally produced poultry feeds contained a considerable amount of Cr that propagates to the chicken meat and egg. This Cr might be hazardous for human health. Among the four most widely used feeds in Rajshahi region maximum Cr concentration of 17.3 ppm was detected in “Adorsho feed (Pabna”. Transmission of Cr from feed to egg and various parts of chicken were investigated with chicken samples of different ages grown by feeding “Adorsho feed”. An average of 4.3 ppm of Cr was found in Yolk and 2.7 ppm was found in the egg-white. Highest concentration of Cr was found to be 5.9 ppm in the brain of 29-days old chicken. The concentration of Cr was different in various parts of chicken depending on its age. The experimental results indicate that the XRF technique can be used efficiently to detect the presence and transmission of heavy metals like Cr from feed to egg and poultry
Ullmann, J. L.; Krticka, M.; Kawano, T.; Bredeweg, T. A.; Baramsai, B.; Couture, A.; Haight, R. C.; Jandel, M.; Mosby, S.; O'Donnell, J. M.; Rundberg, R. S.; Vieira, D. J.; Wilhelmy, J. B.; Becker, J. A.; Wu, C. Y.; Chyzh, A.
2015-10-01
Calculations of the neutron-capture cross section at low neutron energies (10 eV through 100's of keV) are very sensitive to the nuclear level density and radiative strength function. These quantities are often poorly known, especially for radioactive targets, and actual measurements of the capture cross section are usually required. An additional constraint on the calculation of the capture cross section is provided by measurements of the cascade gamma spectrum following neutron capture. Recent measurements of 234 , 236 , 238U(n, γ) emission spectra made using the DANCE 4 π BaF2 array at the Los Alamos Neutron Science Center will be presented. Calculations of gamma-ray spectra made using the DICEBOX code and of the capture cross section made using the CoH3 code will also be presented. These techniques may be also useful for calculations of more unstable nuclides. This work was performed with the support of the U.S. Department of Energy, National Nuclear Security Administration by Los Alamos National Security, LLC (Contract DE-AC52-06NA25396) and Lawrence Livermore National Security, LLC (Contract DE-AC52-07NA2734).
2016-06-07
Shallow- Water Propagation William L. Siegmann Rensselaer Polytechnic Institute 110 Eighth Street Troy, New York 12180-3590 phone: (518) 276...ocean_acoustics LONG-TERM GOALS Develop methods for propagation and coherence calculations in complex shallow- water environments, determine...intensity and coherence. APPROACH (A) Develop high accuracy PE techniques for applications to shallow- water sediments, accounting for
Cosmic Rays: What Gamma Rays Can Say
2014-01-01
We will review the main channels of gamma ray emission due to the acceleration and propagation of cosmic rays, discussing the cases of both galactic and extra-galactic cosmic rays and their connection with gamma rays observations.
Algora, A.; Sonzogni, A.; Algora, A.; Jordan, D.; Tain, J. L.; Rubio, B.; Agramunt, J.; Caballero, L.; Nacher, E.; Perez-Cerdan, A. B.; Molina, F.; Krasznahorkay, A.; Hunyadi, M. D.; Gulyas, J.; Vitez, A.; Csatlos, M.; Csige, L.; Aysto, J.; Penttila, H.; Rinta-Antila, S.; Moore, I.; Eronen, T.; Jokinen, A.; Nieminen, A.; Hakala, J.; Karvonen, P.; Kankainen, A.; Hager, U.; Sonoda, T.; Saastamoinen, A.; Rissanen, J.; Kessler, T.; Weber, C.; Ronkainen, J.; Rahaman, S.; Elomaa, V.; Burkard, K.; Hueller, W.; Batist, L.; Gelletly, W.; Yoshida, T.; Nichols, A. L.; Sonzogni, A.; Perajarvi, K.
2011-08-01
The decay heat of fission products plays an important role in predictions of the heat released by nuclear fuel in reactors. In this contribution we present results of the analysis of the measurement of the beta decay of some refractory isotopes that were considered possible important contributors to the decay heat in reactors. The measurements presented here were performed at the IGISOL facility of the University of Jyvaeskylae, Finland. In our measurements we have combined for the first time a Penning trap (JYFLTRAP), which was used as a high resolution isobaric separator, with a total absorption spectrometer. The results of the measurements as well as their consequences for decay heat summation calculations are discussed.
Calculation of gamma-ray attenuation parameters for locally developed shielding material: Polyboron
Ripan Biswas
2016-01-01
Full Text Available In the present study, the mass attenuation coefficient (μm has been calculated analytically for a locally developed shielding material, polyboron, and compared with the values obtained from the WinXCom code, a Windows version of the XCOM database at the photon energy range 0.001 MeV–20 MeV. A good agreement has been observed between these two values. The linear attenuation coefficients (μ and relaxation lengths (λ have also been calculated from the obtained μm values and their variations with photon energy have been plotted. For comparison, other four shielding materials- ordinary concrete, pure polyethylene, borated polyethylene and water have also been studied. The obtained result shows that μm, μ and λ strongly depends on the photon energy, chemical composition and density of the shielding materials. The values of μm and μ of polyboron have been found greater than those of pure polyethylene and borated polyethylene but less than those of ordinary concrete and water at low photon energy range; and at the intermediate photon energy range (0.125 MeV–6 MeV, all the sample materials have approximately the same μm values. It has also been noticed that polyboron has the medial relaxation length (λ over the entire photon energy range. The total mass attenuation coefficient (μm and linear attenuation coefficient (μ, Half Value Layer (HVL and Tenth Value Layer (TVL of the five sample materials for some common gamma sources have been worked out and the transmission curves have been plotted. The curves exhibit that the transmission factor of the sample materials decreases with the increase in shielding thickness. The results of this study can be utilized to comprehend the shielding effectiveness of this locally developed material.
Murrie, Rhiannon P; Stevenson, Andrew W; Morgan, Kaye S; Fouras, Andreas; Paganin, David M; Siu, Karen K W
2014-03-01
Propagation-based phase-contrast X-ray imaging (PB-PCXI) using synchrotron radiation has achieved high-resolution imaging of the lungs of small animals both in real time and in vivo. Current studies are applying such imaging techniques to lung disease models to aid in diagnosis and treatment development. At the Australian Synchrotron, the Imaging and Medical beamline (IMBL) is well equipped for PB-PCXI, combining high flux and coherence with a beam size sufficient to image large animals, such as sheep, due to a wiggler source and source-to-sample distances of over 137 m. This study aimed to measure the capabilities of PB-PCXI on IMBL for imaging small animal lungs to study lung disease. The feasibility of combining this technique with computed tomography for three-dimensional imaging and X-ray velocimetry for studies of airflow and non-invasive lung function testing was also investigated. Detailed analysis of the role of the effective source size and sample-to-detector distance on lung image contrast was undertaken as well as phase retrieval for sample volume analysis. Results showed that PB-PCXI of lung phantoms and mouse lungs produced high-contrast images, with successful computed tomography and velocimetry also being carried out, suggesting that live animal lung imaging will also be feasible at the IMBL.
Badawi Mohamed S.
2015-01-01
Full Text Available When using gamma ray spectrometry for radioactivity analysis of environmental samples (such as soil, sediment or ash of a living organism, relevant linear attenuation coefficients should be known - in order to calculate self-absorption in the sample bulk. This parameter is additionally important since the unidentified samples are normally different in composition and density from the reference ones (the latter being e. g. liquid sources, commonly used for detection efficiency calibration in radioactivity monitoring. This work aims at introducing a numerical simulation method for calculation of linear attenuation coefficients without the use of a collimator. The method is primarily based on calculations of the effective solid angles - compound parameters accounting for the emission and detection probabilities, as well as for the source-to-detector geometrical configuration. The efficiency transfer principle and average path lengths through the samples themselves are employed, too. The results obtained are compared with those from the NIST-XCOM data base; close agreement confirms the validity of the numerical simulation method approach.
Fraija, N. [Instituto de Astronomía, Universidad Nacional Autónoma de México, Circuito Exterior, C.U., A. Postal 70-264, 04510 México D.F. (Mexico)
2014-06-01
Neutrons play an important role in the dynamics of gamma-ray bursts. The presence of neutrons in the baryon-loaded fireball is expected. If the neutron abundance is comparable to that of protons, important features may be observed, such as quasi-thermal multi-GeV neutrinos in coincidence with a subphotospheric γ-ray emission, nucleosynthesis at later times, and rebrightening of the afterglow emission. Additionally, thermal MeV neutrinos are created by electron-positron annihilation, electron (positron) capture on protons (neutrons), and nucleonic bremsstrahlung. Although MeV neutrinos are difficult to detect, quasi-thermal GeV neutrinos are expected in cubic kilometer detectors and/or DeepCore and IceCube. In this paper, we show that neutrino oscillations have outstanding implications for the dynamics of the fireball evolution and also that they can be detected through their flavor ratio on Earth. For that, we derive the resonance and charged-neutrality conditions as well as the neutrino self-energy and effective potential up to the order of m{sub W}{sup −4} at strong, moderate, and weak magnetic field approximations to constrain the dynamics of the fireball. We found important implications: (1) resonant oscillations are suppressed for high baryon densities as well as neutron abundance larger than that of protons, and (2) the effect of magnetic field is to decrease the proton-to-neutron ratio aside from the number of multi-GeV neutrinos expected in the DeepCore detector. Also, we estimate the GeV neutrino flavor ratios along the jet and on Earth.
Buchalski, Piotr; Kamińska, Elzbieta; Piwowar, Katarzyna; Suwińska, Kinga; Jerzykiewicz, Lucjan; Rossi, Fulvio; Laschi, Franco; de Biani, Fabrizia Fabrizi; Zanello, Piero
2009-06-01
Reactions of 9-nickelafluorenyllithium with cobalt and nickel pentamethylcyclopentadienyl-acetylacetonates resulted in the formation of the novel nickelacyclic-cobaltocene 2 and nickelacyclic-nickelocene 3, respectively, in which the central metal atom is bonded to the nickelafluorenyl ring. On the basis of their redox propensity, compounds 2 and 3 were oxidized to the corresponding monocations [2](+) and [3](+). The crystal and molecular structures of both the redox couples were determined by single-crystal X-ray analysis. In spite of their structural similarity, they display a rather different electron transfer ability. To throw light on such an aspect, the pertinent redox couples have been examined by EPR spectroscopy and the nature of the frontier orbitals involved in the redox activity of the neutral precursors has been supported by extended Huckel theoretical calculations.
Dias, L. C.; de Lima, G. M.; Pinheiro, C. B.; Nascimento, M. A. C.; Bitzer, R. S.
2017-03-01
The reactions of 6-nitropiperonal with H2Nsbnd NHsbnd C(S)sbnd NHR, R = Me, Et, Ph or H, afforded four nitroaromatic thiosemicarbazones 1-4, respectively. 1-4 were characterized by elemental analysis (CHN), FTIR, and 1H and 13C{1H} NMR spectroscopy. In addition, the crystal structures of 2 and 3 were determined by single-crystal X-ray diffraction. Our X-ray structural results have shown that the nitropiperonal and thiosemicarbazone moieties exhibit an almost coplanar arrangement for both 2 and 3. Moreover, they establish 2-D networks along the [111] base vector by means of classical and nonclassical hydrogen bonds. Electronic and spectroscopic properties of 1-4 were investigated at the DFT B3LYP/6-311G** level of calculation. The Cdbnd S group of 1-4 constitutes a nucleophilic region, whereas the NO2 group defines an electrophilic centre, as expected. Furthermore, a DFT vibrational analysis of 4 allowed a reliable assignment of the thiosemicarbazone-based vibrations. Also, a good agreement between theoretical and experimental 13C chemical shift values was obtained for 1-4.
Podder, J.; Lin, J.; Sun, W.; Botis, S. M.; Tse, J.; Chen, N.; Hu, Y.; Li, D.; Seaman, J.; Pan, Y.
2017-02-01
Calcium carbonates such as calcite are the dominant hosts of inorganic iodine in nature and are potentially important for the retention and removal of radioactive iodine isotopes (129I and 131I) in contaminated water. However, little is known about the structural environment of iodine in carbonates. In this study, iodate (IO3-) doped calcite and vaterite have been synthesized using the gel-diffusion method at three NaIO3 concentrations (0.002; 0.004; 0.008 M) and a pH value of 9.0, under ambient temperature and pressure. Inductively coupled plasma mass spectrometry (ICP-MS) analyses show that iodine is preferentially incorporated into calcite over vaterite. Synchrotron iodine K-edge X-ray absorption near-edge structure (XANES) spectra confirm that IO3- is the dominant iodine species in synthetic calcite and vaterite. Analyses of iodine K-edge extended X-ray absorption fine structure (EXAFS) data, complemented by periodic first-principles calculations at the density functional theory (DFT) levels, demonstrate that the I5+ ion of the IO3- group in calcite and vaterite is bonded by three and two additional O atoms (i.e., coordination numbers = 6 and 5), respectively, and is incorporated via the charged coupled substitution I5+ + Na+ ↔ C4+ + Ca2+, with the Na+ cation at a nearest Ca2+ site being the most energetically favorable configuration.
Horowitz, Y.S. [Ben Gurion Univ. of the Negev, Beersheva (Israel); Hirning, C.R. [Ontario Hydro, Whitby (Canada); Yuen, P.; Wong, P. [Chalk River Labs., Ontario (Canada)
1994-10-01
Monte Carlo calculations have been carried out for monoenergetic electrons from 0.1 to 4 MeV irradiating LiF chips in both perpendicular and isotropic geometry. This enabled the calculation of skin dose correction factors (beta factors) for typical beta energy spectra as measured with a beta-ray spectrometer at CANDU nuclear generating stations. The correction factors were estimated by averaging the depth dose distributions for the monoenergetic electrons over the experimentally measured beta-ray spectra. The calculations illustrate the large uncertainty in beta factors arising from the unknown angular distribution of the beta-ray radiation field and uncertainties in the shape of the beta-ray spectra below 500 keV. 28 refs., 8 figs., 2 tabs.
Cartwright-Taylor, Alexis; Fusseis, Florian; Butler, Ian; Flynn, Michael; King, Andrew
2017-04-01
To date, most studies of damage localisation and failure have utilised indirect techniques to visualise the pathway to failure. The advent of synchrotron tomography and x-ray transparent experimental cells provides for the first time the opportunity to image localisation and fracture propagation in-situ, in real time with spatial resolutions of a few microns. We present 4D x-ray microtomographic data collected during a triaxial deformation experiment carried out at the imaging beamline PSICHE at the French Synchrotron SOLEIL. The data document damage localisation and fracture propagation in a microgranite. The sample was deformed at 15 MPa confining pressure and 3x10-5 s-1 strain rate, in a novel, miniature, x-ray transparent, triaxial deformation apparatus, designed and built at the University of Edinburgh. We used a 2.97 mm diameter x 9.46 mm long cylindrical sample of Ailsa Craig microgranite, heat treated to 600 ˚ C to introduce flaws in the form of pervasive crack damage. As the sample was loaded to failure, 21 microtomographic volumes were acquired in intervals of 5-20 MPa (decreasing as failure approached), including one scan at peak differential stress of 200 MPa (1.4 kN end load) and three post-failure scans. The scan at peak stress contained the incipient fault, and the sample failed immediately when loading continued afterwards. During scanning, a constant stress level was maintained. Individual datasets were collected in ˜10 minutes using a white beam with an energy maximum at 66 keV in a spiral configuration. Reconstructions yielded image stacks with a dimension of 1700x1700x4102 voxels with a voxel size of 2.7 μm. We analysed damage localisation and fracture propagation in the time series data. Fractures were segmented from the image data using a Multiscale Hessian fracture filter [1] and analysed for their orientations, dimensions and spatial distributions and changes in these properties during loading. Local changes in volumetric and shear
Copeland, Kyle
2015-07-01
The superposition approximation was commonly employed in atmospheric nuclear transport modeling until recent years and is incorporated into flight dose calculation codes such as CARI-6 and EPCARD. The useful altitude range for this approximation is investigated using Monte Carlo transport techniques. CARI-7A simulates atmospheric radiation transport of elements H-Fe using a database of precalculated galactic cosmic radiation showers calculated with MCNPX 2.7.0 and is employed here to investigate the influence of the superposition approximation on effective dose rates, relative to full nuclear transport of galactic cosmic ray primary ions. Superposition is found to produce results less than 10% different from nuclear transport at current commercial and business aviation altitudes while underestimating dose rates at higher altitudes. The underestimate sometimes exceeds 20% at approximately 23 km and exceeds 40% at 50 km. Thus, programs employing this approximation should not be used to estimate doses or dose rates for high-altitude portions of the commercial space and near-space manned flights that are expected to begin soon.
Soliman, Saied M.; Albering, Jörg; Abu-Youssef, Morsy A. M.
2017-07-01
The reaction between nitric acid and pyridine-4-carboxaldoxime (P4A) afford the corresponding pyridinum nitrate salt (P4AN). Its X-ray structure is measured and compared with the related P4A salts. The DFT/B3LYP results showed that both the P4A and P4AN favored the Syn-I form which has the lowest energy among the other possible isomers. Transition state calculations predicted that the Syn-I form is the thermodynamically and kinetically most stable form. The X-ray solid state structure of the new nitrate salt (P4AN) indicated that the labile proton favored the N-atom of the pyridine ring. DFT studies showed that the same is true for its solution in polar solvents. In contrast, the pyridinium cation is not favored either in the gas phase or solution of P4AN in nonpolar solvent. In these cases, the proton favored to bond with one O-atom from the nitrate group. Second order interaction energies and Mayer bond order values revealed these results. The bond order of the Nsbnd H bond is higher in polar solvents as well as at the experimental structure than either in the gas phase or non polar solvents. The topology parameters obtained from the atoms in molecules (AIM) analysis were used to describe the nature of the Nsbnd H and Osbnd H bonds. The bond critical points (BCP) were found to be close to the H-atoms in case of stronger interaction.
Baldacci, F.; Delaire, F.; Letang, J.M.; Sarrut, D.; Smekens, F.; Freud, N. [Lyon-1 Univ. - CREATIS, CNRS UMR5220, Inserm U1044, INSA-Lyon, Centre Leon Berard (France); Mittone, A.; Coan, P. [LMU Munich (Germany). Dept. of Physics; LMU Munich (Germany). Faculty of Medicine; Bravin, A.; Ferrero, C. [European Synchrotron Radiation Facility, Grenoble (France); Gasilov, S. [LMU Munich (Germany). Dept. of Physics
2015-05-01
The track length estimator (TLE) method, an 'on-the-fly' fluence tally in Monte Carlo (MC) simulations, recently implemented in GATE 6.2, is known as a powerful tool to accelerate dose calculations in the domain of low-energy X-ray irradiations using the kerma approximation. Overall efficiency gains of the TLE with respect to analogous MC were reported in the literature for regions of interest in various applications (photon beam radiation therapy, X-ray imaging). The behaviour of the TLE method in terms of statistical properties, dose deposition patterns, and computational efficiency compared to analogous MC simulations was investigated. The statistical properties of the dose deposition were first assessed. Derivations of the variance reduction factor of TLE versus analogous MC were carried out, starting from the expression of the dose estimate variance in the TLE and analogous MC schemes. Two test cases were chosen to benchmark the TLE performance in comparison with analogous MC: (i) a small animal irradiation under stereotactic synchrotron radiation therapy conditions and (ii) the irradiation of a human pelvis during a cone beam computed tomography acquisition. Dose distribution patterns and efficiency gain maps were analysed. The efficiency gain exhibits strong variations within a given irradiation case, depending on the geometrical (voxel size, ballistics) and physical (material and beam properties) parameters on the voxel scale. Typical values lie between 10 and 103, with lower levels in dense regions (bone) outside the irradiated channels (scattered dose only), and higher levels in soft tissues directly exposed to the beams.
Maurin, D
2001-02-01
Dark matter is present at numerous scale of the universe (galaxy, cluster of galaxies, universe in the whole). This matter plays an important role in cosmology and can not be totally explained by conventional physic. From a particle physic point of view, there exists an extension of the standard model - supersymmetry - which predicts under certain conditions the existence of new stable and massive particles, the latter interacting weakly with ordinary matter. Apart from direct detection in accelerators, various indirect astrophysical detection are possible. This thesis focuses on one particular signature: disintegration of these particles could give antiprotons which should be measurable in cosmic rays. The present study evaluates the background corresponding to this signal i. e. antiprotons produced in the interactions between these cosmic rays and interstellar matter. In particular, uncertainties of this background being correlated to the uncertainties of the diffusion parameter, major part of this thesis is devoted to nuclei propagation. The first third of the thesis introduces propagation of cosmic rays in our galaxy, emphasizing the nuclear reaction responsibles of the nuclei fragmentation. In the second third, different models are reviewed, and in particular links between the leaky box model and the diffusion model are recalled (re-acceleration and convection are also discussed). This leads to a qualitative discussion about information that one can infer from propagation of these nuclei. In the last third, we finally present detailed solutions of the bidimensional diffusion model, along with constrains obtained on the propagation parameters. The latter is applied on the antiprotons background signal and it concludes the work done in this thesis. The propagation code for nuclei and antiprotons used here has proven its ability in data analysis. It would probably be of interest for the analysis of the cosmic ray data which will be taken by the AMS experiment on
Kanisch, Günter
2017-05-01
Two peak area estimation methods in gamma-ray spectrometry, the total peak area (TPA) and the background step function (BSF) methods are re-considered first. For least-squares (LS) peak fitting then, a new net peak area uncertainty model is established. It results in a new function fB replacing a TPA method internal design factor. This allows applying the TPA-related decision threshold (DT) and detection limit (DL) formulae, based on ISO 11929(2010), also for peak fitting. Linear LS adapted to Poisson counting data is suggested to derive fB values for a single peak and different combinations of background shape components including a fitted BSF. fB is then adapted to penalized non-linear fitting including Poisson maximum likelihood estimation by MC simulations. Within the DL iteration the fB method is much faster than with non-linear re-fitting. The fitted peak area uncertainty can be safely modeled for peak areas up to 10 DT which is sufficient for DL calculations. The extension for peak multiplets is indicated.
New gamma-ray buildup factor data for point kernel calculations: ANS-6. 4. 3 standard reference data
Trubey, D.K.
1988-09-01
An American Nuclear Society Standards Committee Working Group, identified as ANS-6.4.3, has developed a set of evaluated gamma-ray isotropic point-source buildup factors and attenuation coefficients for a standard reference data base. The largely unpublished set of buildup factors calculated with the moments method has been evaluated by recalculating key values with Monte Carlo, integral transport, and discrete ordinates methods. Additional buildup factor data were obtained from PALLAS code results. Attention has been given to frequently-neglected processes such as bremsstrahlung and the effect of introducing a tissue phantom behind the shield. The proposed draft standard, provided as an appendix, contains data for a source energy range from 15 keV to 15 MeV and for 23 elements and 3 mixtures (water, air, and concrete). The buildup factor data are also represented as coefficients for the G-P fitting function. Tables giving correction factors for multiple scattering in tissue are also provided. 27 refs., 4 tabs.
A Comparative X-ray Diffraction Study and Ab Initio Calculation on RU60358, a New Pyrethroid
GÃƒÂ©rard Vergoten
2006-08-01
Full Text Available The crystal structure of RU60358, C20H21NO3, has been determined using X-raydiffraction to establish the configuration and stereochemistry of the molecule around theC15-C16 triple bond. The compound crystallises in the orthorhombic space group P212121, a= 7.7575, b = 11.3182, c = 21.3529ÃƒÂ¥, V = 1874.80ÃƒÂ¥3 and Z = 4. The structure has beenrefined to a final R = 0.068 for the observed structure factors with I Ã¢Â‰Â¥ 3ÃÂƒ (I. The refinedstructure was found to be significantly non planar. A comparative study, using the ab initiocalculations of the structure at B3LYP/6-31G** levels of theory, shows good geometricalagreement with the X-ray diffraction data. Standard deviations between the calculated andexperimental bond values have been shown to be 0.01 ÃƒÂ¥ and 0.5Ã‚Â° for bond angles.Vibrational wavenumbers were obtained from a normal mode analysis using the ab initiocalculations.
Ab initio calculation of X-ray emission and IR spectra of the hydrofullerene C 60H 36
Bulusheva, L. G.; Okotrub, A. V.; Antich, A. V.; Lobach, A. S.
2001-05-01
Two isomers of the hydrofullerene C 60H 36 with T and D3 d symmetry were calculated using ab initio Hartree-Fock self-consistent field (HF-SCF). The T symmetry isomer in which the benzenoid rings occupy tetrahedral positions is predicted to be lower in energy than the other considered isomer. Simulated CK α spectra of the isomers were compared with the X-ray fluorescence spectrum of the hydrofullerene C 60H 36 prepared by the transfer hydrogenation method. The short-wave maximum intensity of the CK α spectrum of C 60H 36 was shown to be sensitive to the number of π electrons in the high-occupied levels of the molecule. Although the theoretical spectra are similar in appearance, the T isomer seems to be in better accordance with the experiment. Furthermore, the computed infrared frequencies and intensities for this isomer were found to correlate well with features in the measured spectrum of C 60H 36. The most intense peak in the low-frequency spectral region was shown to correspond to the skeletal vibrations of the benzenoid rings.
Park, S H; Lee, J K; Lee, C
2008-01-01
In this study, organ-absorbed doses and effective doses to patient during interventional radiological procedures were estimated using tomographic phantom, Korean Typical Man-2 (KTMAN-2). Four projections of cardiac catheterisation were simulated for dose calculation by Monte Carlo technique. The parameters of X-ray source and exposure conditions were obtained from literature data. Particle transport was simulated using general purposed Monte Carlo code, MCNPX 2.5.0. Organ-absorbed doses and effective doses were normalised to dose area product (DAP). The effective doses per DAP were between 0.1 and 0.5 mSv Gy(-1) per cm2. The results were compared with those derived from adult stylised phantom. KTMAN-2 received up to 105% higher effective doses than stylised phantom. The dose differences were mainly caused by more realistic internal topology of KTMAN-2 compared to stylised phantom that are closely positioned organs near the heart and shift of abdominal organs to the thoracic region due to supine position. The results of this study showed that tomographic phantoms are more suitable for dose assessment of supine patients undergoing the interventional radiology. The results derived from KTMAN-2 were the first radiation dose data based on non-Caucasian individuals for interventional procedures.
Castañeda, I. C. Henao; Jios, J. L.; Piro, O. E.; Tobón, G. E.; Della Védova, C. O.
2007-10-01
Structural and conformational properties of S-(2-methoxyphenyl) 4-nitrobenzenecarbothioate ( I), S-(2-methoxyphenyl) 4-chlorobenzenecarbothioate ( II) and S-(2-methoxyphenyl) 4-methylbenzenecarbothioate ( III) are analyzed using data of two new structures obtained from X-ray diffraction, vibrational data and theoretical calculations. According to chemical quantum calculations, the synperiplanar and +anticlinal forms were found as the first and second more stable conformations, respectively, for the title compounds. The geometric parameters and normal modes of vibration have been calculated using a density functional theory method (B3LYP) and the 6-31+G ∗∗ basis set. The calculated parameters are in good agreement with the corresponding X-ray diffraction values. The combined experimental and theoretical approach allows a consistent assignment for most of the fundamental modes.
Josefsson, Ida; Kunnus, Kristjan; Schreck, Simon; Foehlisch, Alexander; de Groot, Frank; Wernet, Philippe; Odelius, Michael
2012-01-01
A new ab initio approach to the calculation of X-ray spectra is demonstrated. It combines a high-level quantum chemical description of the chemical interactions and local atomic multiplet effects. We show here calculated L-edge X-ray absorption (XA) and resonant inelastic X-ray scattering spectra fo
Pedrosa, Paulo S.; Farias, Marcos S. [Instituto de Engenharia Nuclear (IEN/CNEN-RJ), Rio de Janeiro, RJ (Brazil); Gavazza, Sergio [Universidade Gama Filho (UGF), Rio de Janeiro, RJ (Brazil)
2005-07-01
This work presents a methodology for calculation of X-ray shielding in facilities of radiotherapy with help of computer. Even today, in Brazil, the calculation of shielding for X-ray radiotherapy is done based on NCRP-49 recommendation establishing a methodology for calculating required to the elaboration of a project of shielding. With regard to high energies, where is necessary the construction of a labyrinth, the NCRP-49 is not very clear, so that in this field, studies were made resulting in an article that proposes a solution to the problem. It was developed a friendly program in Delphi programming language that, through the manual data entry of a basic design of architecture and some parameters, interprets the geometry and calculates the shields of the walls, ceiling and floor of on X-ray radiation therapy facility. As the final product, this program provides a graphical screen on the computer with all the input data and the calculation of shieldings and the calculation memory. The program can be applied in practical implementation of shielding projects for radiotherapy facilities and can be used in a didactic way compared to NCRP-49.
Pedrosa, Paulo Sergio; Farias, Marcos Santana [Instituto de Engenharia Nuclear (IEN), Rio de Janeiro, RJ (Brazil)]. E-mail: pedrosa@ien.gov.br; msantana@ien.gov.br; Gavazza, Sergio [Instituto Militar de Engenharia (IME), Rio de Janeiro, RJ (Brazil). Dept. das Ciencias Fundamentais, Radiacao e Meio Ambiente]. E-mail: gavazza@ugf.br
2005-07-01
This work presents a methodology for calculation of shielding of X rays in radiotherapy facilities with computer aid. A friendly program, called RadTeraX, was developed in programming language Delphi that, through manual data input of a basic project of architecture and of some parameters, interprets the geometry and calculates the shielding of the walls, ground and roof of a radiotherapy installation for X rays. As a final product, this program supplies a graphic screen in the computer with all the input data and the calculation of the shielding, besides the respective calculation memory. Still today, in Brazil, the calculation of the shielding for radiotherapy facilities with X rays has been made based on recommendations of NCRP-49, that establishes a necessary calculation methodology to the elaboration of a shielding project. However, in high energies, where it is necessary the construction of a maze, NCRP-49 is insufficient, so that in this field, studies were made originating an article that proposes a solution for the problem and this solution was implemented in the program. The program can be applied in the practical execution of shielding projects for radiotherapy facilities and in didactic way in comparison with NCRP-49 and has been registered under number 00059420 at INPI - Instituto Nacional da Propriedade Industrial (National Institute of Industrial Property). (author)
Parametrization of Fully Dressed Quark Propagator
MA Wei-Xing; ZHU Ji-Zhen; ZHOU Li-Juan; SHEN Peng-Nian; HU Zhao-Hui
2005-01-01
Based on an extensive study of the Dyson-Schwinger equations for a fully dressed quark propagator in the "rainbow" approximation, a parametrized form of the quark propagator is suggested. The corresponding quark selfform of the quark propagator proposed in this work describes a confining quark propagation, and is quite convenient to be used in any numerical calculations.
Sánchez-Parcerisa, D; Gemmel, A; Jäkel, O; Rietzel, E; Parodi, K
2013-01-07
Previous calculations of the water-to-air stopping power ratio (s(w,)(air)) for carbon ion beams did not involve tracking of delta ray electrons, even though previous calculations with protons predict an effect up to 1%. We investigate the effect of the delta ray production threshold in s(w,)(air) calculations and propose an empirical expression which takes into account the effect of the delta ray threshold as well as the uncertainty in the mean ionization potentials (I-values) of air and water. The formula is derived from the results of Monte Carlo calculations using the most up-to-date experimental data for I-values and a delta ray production threshold of 10 keV. It allows us to reduce the standard uncertainty in s(w,)(air) below 0.8%, instead of the current 2% given in international protocols, which results in a reduction of the overall uncertainty for absolute dosimetry based on air-filled ionization chambers.
de Groot, F.M.F.; Ikeno, H.; Stavitski, E.; Tanaka, I.
2009-01-01
The purpose of this work is to compare the two different procedures to calculate the L2,3 x-ray absorption spectra of transition-metal compounds: (1) the semi-empirical charge transfer multiplet (CTM) approach and (2) the ab initio configuration-interaction (CI) method based on molecular orbitals.
Calculation of electron emission from a tantalum foil irradiated by 100-kV and 50-kV x-rays
Berger, M.J.
1998-03-01
Two Monte Carlo programs, XITRAN and XMTRAN, were developed for calculating the emission of electrons from high-Z foils irradiated with x rays. XITRAN follows all individual elastic collisions of electrons with atoms, whereas XMTRAN uses the condensed-random-walk model. Both codes take into account photo-electrons, fluorescence radiation, and Auger electrons. Comparisons are made with an experiment by Dolan at Sandia Laboratories involving the backward and forward emission of electrons from a tantalum foil irradiated by 100-kV and 50-kV x-ray beams. There is good agreement between results from the XITRAN and XMTRAN codes. There emitted per incident x-ray photon, and in regard to the angular distribution of the emerging electrons. In regard to the electron energy spectra, there is fair agreement down to a spectral energy of 20 keV, whereas below 20 keV the calculated spectra lie considerably below the measurements.
Survey of propagation Model in wireless Network
Hemant Kumar Sharma
2011-05-01
Full Text Available To implementation of mobile ad hoc network wave propagation models are necessary to determine propagation characteristic through a medium. Wireless mobile ad hoc networks are self creating and self organizing entity. Propagation study provides an estimation of signal characteristics. Accurate prediction of radio propagation behaviour for MANET is becoming a difficult task. This paper presents investigation of propagation model. Radio wave propagation mechanisms are absorption, reflection, refraction, diffraction and scattering. This paper discuss free space model, two rays model, and cost 231 hata and its variants and fading model, and summarized the advantages and disadvantages of these model. This study would be helpful in choosing the correct propagation model.
Voufack, Ariste Bolivard; Claiser, Nicolas; Lecomte, Claude; Pillet, Sébastien; Pontillon, Yves; Gillon, Béatrice; Yan, Zeyin; Gillet, Jean Michel; Marazzi, Marco; Genoni, Alessandro; Souhassou, Mohamed
2017-08-01
Joint refinement of X-ray and polarized neutron diffraction data has been carried out in order to determine charge and spin density distributions simultaneously in the nitronyl nitroxide (NN) free radical Nit(SMe)Ph. For comparison purposes, density functional theory (DFT) and complete active-space self-consistent field (CASSCF) theoretical calculations were also performed. Experimentally derived charge and spin densities show significant differences between the two NO groups of the NN function that are not observed from DFT theoretical calculations. On the contrary, CASSCF calculations exhibit the same fine details as observed in spin-resolved joint refinement and a clear asymmetry between the two NO groups.
Parametrized energy spectrum of cosmic-ray protons with kinetic energies down to 1 GeV
Tan, L. C.
1985-01-01
A new estimation of the interstellar proton spectrum is made in which the source term of primary protons is taken from shock acceleration theory and the cosmic ray propagation calculation is based on a proposed nonuniform galactic disk model.
Shimizu, A
2003-01-01
An improved method to calculate the gamma-ray buildup factors including bremsstrahlung has been developed. The exposure buildup factors with bremsstrahlung were computer by the present method for lead, iron and water at the source energy of 10.0 MeV up to depths of 100 mfp. The accuracy of the present method was checked by comparison with the calculations by use of EGS4. Excellent agreement was obtained between the calculations by both methods about the exposure buildup factors per energy (energy spectrum of transmitted photons) for lead up to depths of 10 mfp and the ratio of the exposure buildup factor with bremsstrahlung to that without bremsstrahlung for lead, iron and water up to depths of 40 mfp. It is confirmed that the present method has an accuracy sufficient to be used to the generation of an improved set of gamma-ray buildup factors including bremsstrahlung. (author)
A noise generation and propagation model for large wind farms
Bertagnolio, Franck
2016-01-01
A wind turbine noise calculation model is combined with a ray tracing method in order to estimate wind farm noise in its surrounding assuming an arbitrary topography. The wind turbine noise model is used to generate noise spectra for which each turbine is approximated as a point source. However......, the detailed three-dimensional directivity features are taken into account for the further calculation of noise propagation over the surrounding terrain. An arbitrary number of turbines constituting a wind farm can be spatially distributed. The noise from each individual turbine is propagated into the far......-field using the ray tracing method. These results are added up assuming the noise from each turbine is uncorrelated. The methodology permits to estimate a wind farm noise map over the surrounding terrain in a reasonable amount of computational time on a personal computer....
Validity of Parametrized Quark Propagator
ZHUJi-Zhen; ZHOULi-Juan; MAWei-Xing
2005-01-01
Based on an extensively study of the Dyson-Schwinger equations for a fully dressed quark propagator in the “rainbow”approximation, a parametrized fully dressed quark propagator is proposed in this paper. The parametrized propagator describes a confining quark propagator in hadron since it is analytic everywhere in complex p2-plane and has no Lemmann representation. The validity of the new propagator is discussed by comparing its predictions on selfenergy functions A/(p2), Bl(p2) and effective mass M$(p2) of quark with flavor f to their corresponding theoretical results produced by Dyson-Schwinger equations. Our comparison shows that the parametrized quark propagator is a good approximation to the fully dressed quark propagator given by the solutions of Dyson-Schwinger equations in the rainbow approximation and is convenient to use in any theoretical calculations.
Validity of Parametrized Quark Propagator
ZHU Ji-Zhen; ZHOU Li-Juan; MA Wei-Xing
2005-01-01
Based on an extensively study of the Dyson-Schwinger equations for a fully dressed quark propagator in the "rainbow" approximation, a parametrized fully dressed quark propagator is proposed in this paper. The parametrized propagator describes a confining quark propagator in hadron since it is analytic everywhere in complex p2-plane and has no Lemmann representation. The validity of the new propagator is discussed by comparing its predictions on selfenergy functions Af(p2), Bf(p2) and effective mass Mf(p2) of quark with flavor f to their corresponding theoretical results produced by Dyson-Schwinger equations. Our comparison shows that the parametrized quark propagator is a good approximation to the fully dressed quark propagator given by the solutions of Dyson-Schwinger equations in the rainbow approximation and is convenient to use in any theoretical calculations.
Algora, A.; Tain, J.L.; Perez-Cerdan, A.B.; Rubio, B.; Agramunt, J.; Caballero, L.; Nacher, E.; Jordan, D.; Molina, F. [Valencia Univ., IFIC (Spain); Algora, A.; Krasznahorkay, A.; Hunyadi, M.D.; Gulyas, J.; Vitez, A.; Csatlos, M.; Csige, L. [Institute of Nuclear Research, Debrecen (Hungary); Aysto, J.; Penttila, H.; Rinta-Antila, S.; Moore, I.; Eronen, T.; Jokinen, A.; Nieminen, A.; Hakala, J.; Karvonen, P.; Kankainen, A.; Hager, U.; Sonoda, T.; Saastamoinen, A.; Rissanen, J.; Kessler, T.; Weber, C.; Ronkainen, J.; Rahaman, S.; Elomaa, V. [Jyvaskyla Univ. (Finland); Burkard, K.; Huller, W. [GSI, Darmstadt (Germany); Batist, L. [PNPI, Gatchina (Russian Federation); Gelletly, W. [Surrey Univ., Guildford (United Kingdom); Yoshida, T. [Mushashi Institute of Technology (Japan); Nichols, A.L. [IAEA Nuclear Data Section, Vienna (Austria); Sonzogni, A. [National Nuclear Data Center, Brookhaven National Laboratory, Upton, NY (United States); Perajarvi, K. [STUK, Helsinki (Finland)
2008-07-01
The decay heat of fission products plays an important role in predictions of the heat up of nuclear fuel in reactors. The released energy is calculated as the summation of the activities of all fission products P(t) equals {sigma}(E{sub i}*{lambda}{sub i}*N{sub i}(t)), where E{sub i} is the decay energy of nuclide i (gamma and beta component), {lambda}{sub i} is the decay constant of nuclide i and N{sub i}(t) is the number of nuclide i at cooling time t. Even though the reproduction of the measured decay heat has improved in recent years, there is still a long standing discrepancy in the t about 1000 s cooling time for some fuels. A possible explanation to this improper description has been found in the work of Yoshida et al., where it has been shown that the incomplete knowledge of the {beta}-decay of some T{sub c} isotopes can be the source of the systematic discrepancy. We have recently measured the {beta}-decay process of some Tc isotopes using a total absorption spectrometer at the IGISOL facility in Jyvaskyla (Finland). The results of the measurements as well as the their consequences on summation calculations are discussed. (authors)
Goesten, Maarten; Stavitski, Eli; Pidko, Evgeny A; Gücüyener, Canan; Boshuizen, Bart; Ehrlich, Steven N; Hensen, Emiel J M; Kapteijn, Freek; Gascon, Jorge
2013-06-10
We present an in situ small- and wide-angle X-ray scattering (SAXS/WAXS) and quick-scanning extended X-ray absorption fine-structure (QEXAFS) spectroscopy study on the crystallization of the metal-organic framework ZIF-7. In combination with DFT calculations, the self-assembly and growth of ZIF-7 microrods together with the chemical function of the crystal growth modulator (diethylamine) are revealed at all relevant length scales, from the atomic to the full crystal size.
Spatially Confined Propagation of Intense Ultraviolet Radiation in Plasmas.
Shi, Xiaomei
X-ray amplification requires a high energy deposition rate in a high aspect-ratio volume. High power lasers for x-ray laser pumping have become available with the development of the short pulse and high intensity laser technology capable of producing pulses with a peak power as high as 10^{12} watts. Short pulses of high intensity x-ray have been observed in laser -plasma interactions, which encurages many scientists actively pursuing the goal of constructing practical x-ray lasers. Our approach has concentrated on producing high aspect ratio x-ray amplifying medium by spatially confined propagation of high power laser pulse in plasmas. A high intensity laser beam induces nonlinear refractive index changes in plasma. In the case of subpicosecond ultrahigh power laser-plasma interaction, the dominant mechanisms responsible for the refractive index change in plasmas are: (1) the relativistic free electron mass increase due to the increase of electron oscillation velocity in the intense electromagnetic field of the laser pulses; and (2) displacement of free electrons out of the high intensity region of the laser beam by ponderomotive force. Both of the above effects lead to a refractive index change of the plasma, which in turn has a positive lensing effect on the beam. If the focusing effect is strong enough to overcome diffraction the beam will stay in a spatially confined mode of propagation. This confined propagation provides an effective method of concentrating energy. The field intensity associated with the confined propagation is so high that the highly excited medium with high aspect ratio suitable for x-ray amplification can be achieved. In this research we have successfully demonstrated spatially confined propagation of 500 GW subpicosecond laser pulse in laser induced plasma. The measured diameter of the propagation is less than 2 μm and the aspect ratio of the confined propagation is over 1000. The filed intensity associated with the propagation is
Sampaio, J. M.; Madeira, T. I.; Guerra, M.; Parente, F.; Indelicato, P.; Santos, J. P.; Marques, J. P.
2016-10-01
In this work, we derive X-ray production cross-sections from electron-impact ionization cross-sections for Ne, Ar, Kr, Xe, Rn, and Uuo, calculated in the modified relativistic binary-encounter-Bethe model, and using as the only input parameter the binding energies obtained in the Dirac-Fock approach. Radiative and radiationless transition probabilities necessary to compute the inter- and intra-shell atomic yields were calculated in the same approach. Shell electron-impact ionization cross-sections and X-ray production cross-sections are compared with the corresponding cross-sections retrieved from the National Institute of Standards and Technology Reference Database and available experimental data.
Plasma effects on extragalactic ultra-high-energy cosmic ray hadron beams in cosmic voids
Krakau, Steffen; Schlickeiser, Reinhard [Institut fur Theoretische Physik, Lehrstuhl IV: Weltraum- und Astrophysik, Ruhr-Universitaet Bochum (Germany)
2015-05-01
The linear instability of an ultrarelativistic hadron beam (Γ{sub b} ∼ 10{sup 6}) in the unmagnetized intergalactic medium is investigated with respect to the excitation of collective electrostatic and aperiodic electromagnetic fluctuations. This analysis is important for the propagation of extragalactic ultrarelativistic cosmic rays (E > 10{sup 15} eV) from their distant sources to Earth. We calculate minimum instability growth times which are orders of magnitude shorter than the cosmic ray propagation time in the IGM. Due to nonlinear effects, especially the modulation instability, the cosmic ray beam stabilize and can propagate with nearly no energy loss through the intergalactic medium.
Nazir, N.; Rausaria, R.R.; Khosa, P.N.
1987-01-01
The evolution of electron energy and angular distributions has been studied at different levels in the solar atmosphere by combining a smallangle analytical treatment with large-angle Monte Carlo calculations for electron energies greater than 500 keV. Using these distributions energy spectra and angular distributions of photons for energies greater than 150 keV have been computed as a function of height. The anisotropy ratio for these photon energies first decreases then increases with decrease in height (increase of column density). The results are compared with the observations of PVO/ISEE-3. The calculated characteristics of the x-ray flux ratio closely resemble the above observations.
Swadling, G F; Ross, J S; Datte, P; Moody, J; Divol, L; Jones, O; Landen, O
2016-11-01
An Optical Thomson Scattering (OTS) diagnostic is currently being developed for the National Ignition Facility (NIF) at Lawrence Livermore National Laboratory. This diagnostic is designed to make measurements of the hohlraum plasma parameters, such as the electron temperature and the density, during inertial confinement fusion (ICF) experiments. NIF ICF experiments present a very challenging environment for optical measurements; by their very nature, hohlraums produce intense soft x-ray emission, which can cause "blanking" (radiation induced opacity) of the radiation facing optical components. The soft x-ray fluence at the surface of the OTS blast shield, 60 cm from the hohlraum, is estimated to be ∼8 J cm(-2). This is significantly above the expected threshold for the onset of "blanking" effects. A novel xenon plasma x-ray shield is proposed to protect the blast shield from x-rays and mitigate "blanking." Estimates suggest that an areal density of 10(19) cm(-2) Xe atoms will be sufficient to absorb 99.5% of the soft x-ray flux. Two potential designs for this shield are presented.
Swadling, G. F.; Ross, J. S.; Datte, P.; Moody, J.; Divol, L.; Jones, O.; Landen, O.
2016-11-01
An Optical Thomson Scattering (OTS) diagnostic is currently being developed for the National Ignition Facility (NIF) at Lawrence Livermore National Laboratory. This diagnostic is designed to make measurements of the hohlraum plasma parameters, such as the electron temperature and the density, during inertial confinement fusion (ICF) experiments. NIF ICF experiments present a very challenging environment for optical measurements; by their very nature, hohlraums produce intense soft x-ray emission, which can cause "blanking" (radiation induced opacity) of the radiation facing optical components. The soft x-ray fluence at the surface of the OTS blast shield, 60 cm from the hohlraum, is estimated to be ˜8 J cm-2. This is significantly above the expected threshold for the onset of "blanking" effects. A novel xenon plasma x-ray shield is proposed to protect the blast shield from x-rays and mitigate "blanking." Estimates suggest that an areal density of 1019 cm-2 Xe atoms will be sufficient to absorb 99.5% of the soft x-ray flux. Two potential designs for this shield are presented.
Swadling, G. F.; Ross, J. S.; Datte, P.; Moody, J.; Divol, L.; Jones, O.; Landen, O. [Lawrence Livermore National Laboratory, Livermore, California 94550 (United States)
2016-11-15
An Optical Thomson Scattering (OTS) diagnostic is currently being developed for the National Ignition Facility (NIF) at Lawrence Livermore National Laboratory. This diagnostic is designed to make measurements of the hohlraum plasma parameters, such as the electron temperature and the density, during inertial confinement fusion (ICF) experiments. NIF ICF experiments present a very challenging environment for optical measurements; by their very nature, hohlraums produce intense soft x-ray emission, which can cause “blanking” (radiation induced opacity) of the radiation facing optical components. The soft x-ray fluence at the surface of the OTS blast shield, 60 cm from the hohlraum, is estimated to be ∼8 J cm{sup −2}. This is significantly above the expected threshold for the onset of “blanking” effects. A novel xenon plasma x-ray shield is proposed to protect the blast shield from x-rays and mitigate “blanking.” Estimates suggest that an areal density of 10{sup 19} cm{sup −2} Xe atoms will be sufficient to absorb 99.5% of the soft x-ray flux. Two potential designs for this shield are presented.
Wang, Y; Mazur, T; Green, O; Hu, Y; Wooten, H; Yang, D; Zhao, T; Mutic, S; Li, H [Washington University School of Medicine, St. Louis, MO (United States)
2015-06-15
Purpose: To build a fast, accurate and easily-deployable research platform for Monte-Carlo dose calculations. We port the dose calculation engine PENELOPE to C++, and accelerate calculations using GPU acceleration. Simulations of a Co-60 beam model provided by ViewRay demonstrate the capabilities of the platform. Methods: We built software that incorporates a beam model interface, CT-phantom model, GPU-accelerated PENELOPE engine, and GUI front-end. We rewrote the PENELOPE kernel in C++ (from Fortran) and accelerated the code on a GPU. We seamlessly integrated a Co-60 beam model (obtained from ViewRay) into our platform. Simulations of various field sizes and SSDs using a homogeneous water phantom generated PDDs, dose profiles, and output factors that were compared to experiment data. Results: With GPU acceleration using a dated graphics card (Nvidia Tesla C2050), a highly accurate simulation – including 100*100*100 grid, 3×3×3 mm3 voxels, <1% uncertainty, and 4.2×4.2 cm2 field size – runs 24 times faster (20 minutes versus 8 hours) than when parallelizing on 8 threads across a new CPU (Intel i7-4770). Simulated PDDs, profiles and output ratios for the commercial system agree well with experiment data measured using radiographic film or ionization chamber. Based on our analysis, this beam model is precise enough for general applications. Conclusions: Using a beam model for a Co-60 system provided by ViewRay, we evaluate a dose calculation platform that we developed. Comparison to measurements demonstrates the promise of our software for use as a research platform for dose calculations, with applications including quality assurance and treatment plan verification.
Lavrentyev, A. A.; Gabrelian, B. V.; Vu, V. T.; Denysyuk, N. M.; Shkumat, P. N.; Tarasova, A. Y.; Isaenko, L. I.; Khyzhun, O. Y.
2016-03-01
Density functional theory (DFT) calculations are made in order to explore the total and partial densities of states of potassium dilead pentabromide, KPb2Br5, by using the augmented plane wave + local orbitals (APW + lo) method as incorporated in the WIEN2k package. The present calculations reveal that the principle contributors to the valence band of KPb2Br5 are the Pb 6s and Br 4p states contributing predominantly at the bottom and at the top of the band, respectively, while the bottom of the conduction band is formed mainly from contributions of the unoccupied Pb 6p states. The curves of total density of states derived by the present DFT calculations of KPb2Br5 are found to be in agreement with the experimental X-ray photoelectron valence-band spectrum of the compound studied. Comparison on a common energy scale of the X-ray emission bands representing the energy distribution of the valence Br p and K s states and the X-ray photoelectron valence-band spectrum of the KPb2Br5 single crystal indicate that the Br 4p and K 4s states contribute mainly at the top and in the upper portion of the valence band, respectively, being in agreement with data of the present DFT band-structure calculations of this compound. Principal optical characteristics of KPb2Br5, namely dispersion of the absorption coefficient, real and imaginary parts of dielectric function, electron energy-loss spectrum, refractive index, extinction coefficient and optical reflectivity are also studied by the DFT calculations.
Pasciak, A [University of Tennessee Medical Center, Knoxville, TN (United States); Jones, A [MD Anderson Cancer Center, Houston, TX (United States); Wagner, L [UT Medical School, Houston, TX (United States)
2014-06-01
Purpose: Lightweight lead-free or lead-composite protective garments exploit k-edge interactions to attenuate scattered X-rays. Manufacturers specify the protective value of garments in terms of lead equivalence at a single kVp. This is inadequate, as the protection provided by such garments varies with radiation quality in different use conditions. We present a method for matching scattered X-ray spectra to primary X-ray spectra. The resulting primary spectra can be used to measure penetration through protective garments, and such measurements can be weighted and summed to determine a Diagnostic Radiation Index for Protection (DRIP). Methods: Scattered X-ray spectra from fluoroscopic procedures were modeled using Monte Carlo techniques in MCNP-X 2.7. Data on imaging geometry, operator position, patient size, and primary beam spectra were gathered from clinical fluoroscopy procedures. These data were used to generate scattered X-ray spectra resulting from procedural conditions. Technical factors, including kV and added filtration, that yielded primary X-ray spectra that optimally matched the generated scattered X-ray spectra were identified through numerical optimization using a sequential quadratic programming (SQP) algorithm. Results: The primary spectra generated with shape functions matched the relative flux in each bin of the scattered spectra within 5%, and half and quarter-value layers matched within 0.1%. The DRIP for protective garments can be determined by measuring the penetration through protective garments using the matched primary spectra, then calculating a weighted average according to the expected clinical use of the garment. The matched primary spectra are specified in terms of first and second half-value layers in aluminum and acrylic. Conclusion: Lead equivalence is inadequate for completely specifying the protective value of garments. Measuring penetration through a garment using full scatter conditions is very difficult. The primary spectra
Kel'ner, [No Value; Khangulyan, DV; Aharonian, FA
2004-01-01
The ultrahigh-energy (>20 TeV) gamma rays emitted by active galactic nuclei can be absorbed in intergalactic space through the production of electron-positron pairs during their interaction with extragalactic background photon fields. The electrons and positrons produced by this interaction form an
Cole, Jacqueline M.; Hickstein, Daniel D.
2013-11-01
Structure-property relationships are established in the nonlinear optical (NLO) material, zinc tris(thiourea)sulfate (ZTS), via an experimental charge-density study, x-ray constrained wave-function refinement, and quantum-mechanical calculations. The molecular charge-transfer characteristics of ZTS, that are important for NLO activity, are topologically analyzed via a multipolar refinement of high-resolution x-ray diffraction data, which is supported by neutron diffraction measurements. The extent to which each chemical bond is ionic or covalent in nature is categorized by Laplacian-based bonding classifiers of the electron density; these include bond ellipticities, energy densities, and the local source function. Correspondingly, the NLO origins of ZTS are judged to best resemble those of organic NLO materials. The molecular dipole moment, μi, and (hyper)polarizability coefficients, αij and βijk, are calculated from the experimental diffraction data using the x-ray constrained wave-function method. Complementary gas-phase ab initio quantum-mechanical calculations of μi, αij, and βijk offer a supporting comparison. When taken alone, the experimental charge-density analysis does not fare well in deriving μi, αij, or βijk, which is not entirely surprising given that the associated calculations are only generally valid for organic molecules. However, by refining the x-ray data within the constrained wave-function method, the evaluations of μi, αij, and βijk are shown to agree very well with those from ab initio calculations and show remarkable normalization to experimental refractive index measurements. The small differences observed between ab initio and x-ray constrained wave-function refinement results can be related directly to gas- versus solid-state phase differences. μi is found to be 28.3 Debye (gas phase) and 29.7 Debye (solid state) while βijk coefficients are not only significant but are also markedly three dimensional in form. Accordingly
Markov Stochastic Technique to Determine Galactic Cosmic Ray Sources Distribution
Ashraf Farahat
2010-06-01
A new numerical model of particle propagation in the Galaxy has been developed, which allows the study of cosmic-ray production and propagation in 2D. The model has been used to solve cosmic ray diffusive transport equation with a complete network of nuclear interactions using the time backward Markov stochastic process by tracing the particles’ trajectories starting from the Solar System back to their sources in the Galaxy. This paper describes a further development of the model to calculate the contribution of various galactic locations to the production of certain cosmic ray nuclei observed at the Solar System.
Light Front Boson Model Propagation
Jorge Henrique Sales; Alfredo Takashi Suzuki
2011-01-01
stract The scope and aim of this work is to describe the two-body interaction mediated by a particle (either the scalar or the gauge boson) within the light-front formulation. To do this, first of all we point out the importance of propagators and Green functions in Quantum Mechanics. Then we project the covariant quantum propagator onto the light front time to get the propagator for scalar particles in these coordinates. This operator propagates the wave function from x+ = 0 to x+ ＞ O. It corresponds to the definition of the time ordering operation in the light front time x+. We calculate the light-front Green's function for 2 interacting bosons propagating forward in x+. We also show how to write down the light front Green's function from the Feynman propagator and finally make a generalization to N bosons.
Sipr, Ondrej; Simunek, Antonin [Institute of Physics AS CR, Cukrovarnicka 10, Prague (Czech Republic); Minar, Jan; Ebert, Hubert [Universitaet Muenchen (Germany)
2010-07-01
L{sub 2,3}-edge XAS and XMCD spectra of 3d elements are calculated via a self-consistent LDA+DMFT method (including thus valence-band correlations). It is found that the asymmetry of the calculated XAS white lines increases upon inclusion of the correlations for Fe and Co but not for Ni. The change in the height of the L{sub 3} and L{sub 2} peaks in the XMCD spectra is in a good agreement with the change of the orbital magnetic moment caused by adding the valence-band correlations. As a whole, adding valence-band correlations improves the agreement between the theory and experiment but visible differences still remain. Therefore, a core hole is additionally accounted for via the final state approximation and the impact of such a procedure is assessed.
Radial propagators and Wilson loops
Leupold, S; Leupold, Stefan; Weigert, Heribert
1996-01-01
We present a relation which connects the propagator in the radial (Fock-Schwinger) gauge with a gauge invariant Wilson loop. It is closely related to the well-known field strength formula and can be used to calculate the radial gauge propagator. The result is shown to diverge in four-dimensional space even for free fields, its singular nature is however naturally explained using the renormalization properties of Wilson loops with cusps and self-intersections. Using this observation we provide a consistent regularization scheme to facilitate loop calculations. Finally we compare our results with previous approaches to derive a propagator in Fock-Schwinger gauge.
Borges, Diogo da S.; Lava, Deise D.; Affonso, Renato R.W.; Moreira, Maria de L.; Guimaraes, Antonio C.F., E-mail: diogosb@outlook.com, E-mail: deise_dy@hotmail.com, E-mail: raoniwa@yahoo.com.br, E-mail: malu@ien.gov.br, E-mail: tony@ien.gov.br [Instituto de Engenharia Nuclear (IEN/CNEN-RJ), Rio de Janeiro, RJ (Brazil)
2014-07-01
The construction of an effective barrier against the interaction of ionizing radiation present in X-ray rooms requires consideration of many variables. The methodology used for specifying the thickness of primary and secondary shielding of an traditional X-ray room considers the following factors: factor of use, occupational factor, distance between the source and the wall, workload, Kerma in the air and distance between the patient and the receptor. With these data it was possible the development of a computer program in order to identify and use variables in functions obtained through graphics regressions offered by NCRP Report-147 (Structural Shielding Design for Medical X-Ray Imaging Facilities) for the calculation of shielding of the room walls as well as the wall of the darkroom and adjacent areas. With the built methodology, a program validation is done through comparing results with a base case provided by that report. The thickness of the obtained values comprise various materials such as steel, wood and concrete. After validation is made an application in a real case of radiographic room. His visual construction is done with the help of software used in modeling of indoor and outdoor. The construction of barriers for calculating program resulted in a user-friendly tool for planning radiographic rooms to comply with the limits established by CNEN-NN-3:01 published in September / 2011.
Ullmann, John Leonard [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Kawano, Toshihiko [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Bredeweg, Todd Allen [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Baramsai, Bayarbadrakh [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Couture, Aaron Joseph [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Haight, Robert Cameron [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Jandel, Marian [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Mosby, Shea Morgan [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); O' Donnell, John M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Rundberg, Robert S. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Vieira, David J. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Wilhelmy, Jerry B. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Becker, John A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Wu, Ching-Yen [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Krticka, Milan [Charles Univ., Prague (Czech Republic)
2015-05-28
Neutron capture cross sections in the “continuum” region (>≈1 keV) and gamma-emission spectra are of importance to basic science and many applied fields. Careful measurements have been made on most common stable nuclides, but physicists must rely on calculations (or “surrogate” reactions) for rare or unstable nuclides. Calculations must be benchmarked against measurements (cross sections, gamma-ray spectra, and <Γ_{γ}>). Gamma-ray spectrum measurements from resolved resonances were made with 1 - 2 mg/cm^{2} thick targets; cross sections at >1 keV were measured using thicker targets. The results show that the shape of capture cross section vs neutron energy is not sensitive to the form of the strength function (although the magnitude is); the generalized Lorentzian E1 strength function is not sufficient to describe the shape of observed gamma-ray spectra; MGLO + “Oslo M1” parameters produces quantitative agreement with the measured ^{238}U(n,γ) cross section; additional strength at low energies (~ 3 MeV) -- likely M1-- is required; and careful study of complementary results on low-lying giant resonance strength is needed to consistently describe observations.
TSUNAMI WAVE PROPAGATION ALONG WAVEGUIDES
Andrei G. Marchuk
2009-01-01
Full Text Available This is a study of tsunami wave propagation along the waveguide on a bottom ridge with flat sloping sides, using the wave rays method. During propagation along such waveguide the single tsunami wave transforms into a wave train. The expression for the guiding velocities of the fastest and slowest signals is defined. The tsunami wave behavior above the ocean bottom ridges, which have various model profiles, is investigated numerically with the help of finite difference method. Results of numerical experiments show that the highest waves are detected above a ridge with flat sloping sides. Examples of tsunami propagation along bottom ridges of the Pacific Ocean are presented.
Nesterenok, A V
2012-01-01
The propagation of cosmic rays in the Earth's atmosphere is simulated. Calculations of the omnidirectional differential flux of neutrons for different solar activity levels are presented. The solar activity effect on the production rate of cosmogenic radiocarbon by the nuclear-interacting and muon components of cosmic rays in polar ice is studied. It has been obtained that the $^{14}C$ production rate in ice by the cosmic ray nuclear-interacting component is lower or higher than the average value by 30% during periods of solar activity maxima or minima, respectively. Calculations of the altitudinal dependence of the radiocarbon production rate in ice by the cosmic ray components are illustrated.
IGAMI, Hiroe; FUKUYAMA, Atsushi; IDEI, Hiroshi; NAGASAKI, Kazunobu; GOTO, Yuki; KUBO, Shin; SHIMOZUMA, Takashi; YOSHIMURA, Yasuo; TAKAHASHI, Hiromi; TSUJIMURA, Toru I; MAKINO, Ryohei
2016-01-01
With the use of the density scale length and the magnetic field strength around the O-X mode conversion region in the LHD for 77 GHz EC waves, the full wave calculations by the TASK/WF2D code have been per formed...
Velders, G.J.M.; Feil, D.
1989-01-01
Quantum-chemical density-functional theory (DFT) calculations, using the local-density approximation (LDA), have been performed for hydrogen-bounded silicon clusters to determine the electron density distribution of the Si-Si bond. The density distribution in the bonding region is compared with calc
Greif, Michael; Nagy, Tibor; Soloviov, Maksym; Castiglioni, Luca; Hengsberger, Matthias; Meuwly, Markus; Osterwalder, Jürg
2015-01-01
A THz-pump and x-ray-probe experiment is simulated where x-ray photoelectron diffraction (XPD) patterns record the coherent vibrational motion of carbon monoxide molecules adsorbed on a Pt(111) surface. Using molecular dynamics simulations, the excitation of frustrated wagging-type motion of the CO molecules by a few-cycle pulse of 2 THz radiation is calculated. From the atomic coordinates, the time-resolved XPD patterns of the C 1s core level photoelectrons are generated. Due to the direct structural information in these data provided by the forward scattering maximum along the carbon-oxygen direction, the sequence of these patterns represents the equivalent of a molecular movie. PMID:26798798
Michael Greif
2015-05-01
Full Text Available A THz-pump and x-ray-probe experiment is simulated where x-ray photoelectron diffraction (XPD patterns record the coherent vibrational motion of carbon monoxide molecules adsorbed on a Pt(111 surface. Using molecular dynamics simulations, the excitation of frustrated wagging-type motion of the CO molecules by a few-cycle pulse of 2 THz radiation is calculated. From the atomic coordinates, the time-resolved XPD patterns of the C 1s core level photoelectrons are generated. Due to the direct structural information in these data provided by the forward scattering maximum along the carbon-oxygen direction, the sequence of these patterns represents the equivalent of a molecular movie.
Tropospheric Refraction Modeling Using Ray-Tracing and Parabolic Equation
P. Pechac
2005-12-01
Full Text Available Refraction phenomena that occur in the lower atmospheresignificantly influence the performance of wireless communicationsystems. This paper provides an overview of corresponding computationalmethods. Basic properties of the lower atmosphere are mentioned.Practical guidelines for radiowave propagation modeling in the loweratmosphere using ray-tracing and parabolic equation methods are given.In addition, a calculation of angle-of-arrival spectra is introducedfor multipath propagation simulations.
Beckert, C.
2007-12-19
Conventionally the data preparation of the neutron cross sections for reactor-core calculations pursues with 2D cell codes. Aim of this thesis was, to develop a 3D cell code, to study with this code 3D effects, and to evaluate the necessarity of a 3D data preparation of the neutron cross sections. For the calculation of the neutron transport the method of the first-collision probabilities, which are calculated with the ray-tracing method, was chosen. The mathematical algorithms were implemented in the 2D/3D cell code TransRay. For the geometry part of the program the geometry module of a Monte Carlo code was used.The ray tracing in 3D was parallelized because of the high computational time. The program TransRay was verified on 2D test problems. For a reference pressured-water reactor following 3D problems were studied: A partly immersed control rod and void (vacuum or steam) around a fuel rod as model of a steam void. All problems were for comparison calculated also with the programs HELIOS(2D) and MCNP(3D). The dependence of the multiplication factor and the averaged two-group cross section on the immersion depth of the control rod respectively of the height of the steam void were studied. The 3D-calculated two-group cross sections were compared with three conventional approximations: Linear interpolation, interpolation with flux weighting, and homogenization, At the 3D problem of the control rod it was shown that the interpolation with flux weighting is a good approximation. Therefore here a 3D data preparation is not necessary. At the test case of the single control rod, which is surrounded by the void, the three approximation for the two-group cross sections were proved as unsufficient. Therefore a 3D data preparation is necessary. The single fuel-rod cell with void can be considered as the limiting case of a reactor, in which a phase interface has been formed. [German] Standardmaessig erfolgt die Datenaufbereitung der Neutronenwirkungsquerschnitte fuer
Ferrarese, Giorgio
2011-01-01
Lectures: A. Jeffrey: Lectures on nonlinear wave propagation.- Y. Choquet-Bruhat: Ondes asymptotiques.- G. Boillat: Urti.- Seminars: D. Graffi: Sulla teoria dell'ottica non-lineare.- G. Grioli: Sulla propagazione del calore nei mezzi continui.- T. Manacorda: Onde nei solidi con vincoli interni.- T. Ruggeri: "Entropy principle" and main field for a non linear covariant system.- B. Straughan: Singular surfaces in dipolar materials and possible consequences for continuum mechanics
Lida Gholamkar
2016-09-01
Full Text Available Introduction One of the best methods in the diagnosis and control of breast cancer is mammography. The importance of mammography is directly related to its value in the detection of breast cancer in the early stages, which leads to a more effective treatment. The purpose of this article was to calculate the X-ray spectrum in a mammography system with Monte Carlo codes, including MCNPX and MCNP5. Materials and Methods The device, simulated using the MCNP code, was Planmed Nuance digital mammography device (Planmed Oy, Finland, equipped with an amorphous selenium detector. Different anode/filter materials, such as molybdenum-rhodium (Mo-Rh, molybdenum-molybdenum (Mo-Mo, tungsten-tin (W-Sn, tungsten-silver (W-Ag, tungsten-palladium (W-Pd, tungsten-aluminum (W-Al, tungsten-molybdenum (W-Mo, molybdenum-aluminum (Mo-Al, tungsten-rhodium (W-Rh, rhodium-aluminum (Rh-Al, and rhodium-rhodium (Rh-Rh, were simulated in this study. The voltage range of the X-ray tube was between 24 and 34 kV with a 2 kV interval. Results The charts of changing photon flux versus energy were plotted for different types of anode-filter combinations. The comparison with the findings reported by others indicated acceptable consistency. Also, the X-ray spectra, obtained from MCNP5 and MCNPX codes for W-Ag and W-Rh combinations, were compared. We compared the present results with the reported data of MCNP4C and IPEM report No. 78 for Mo-Mo, Mo-Rh, and W-Al combinations. Conclusion The MCNPX calculation outcomes showed acceptable results in a low-energy X-ray beam range (10-35 keV. The obtained simulated spectra for different anode/filter combinations were in good conformity with the finding of previous research.
Propagation handbook for wireless communication system design
Crane, Robert K
2003-01-01
PROPAGATION PHENOMENA AFFECTING WIRELESS SYSTEMS Types of SystemsDesign Criteria Antenna Considerations Propagation Effects Propagation Models Model Verification Statistics and RiskList of Symbols ReferencesPROPAGATION FUNDAMENTALSMaxwell's EquationsPlane Waves Spherical Waves Reflection and Refraction Geometrical OpticsRay TracingScalar Diffraction Theory Geometrical Theory of Diffraction List of Symbols ReferencesABSORPTION Molecular Absorption Absorption on a Slant Path ACTS Statistics List of Symbols ReferencesREFRACTION Ray BendingPath Delay ScintillationList of Symbols ReferencesATTENUAT
García, J.; Dauser, T.; Reynolds, C. S.; Kallman, T. R.; McClintock, J. E.; Wilms, J.; Eikmann, W.
2013-05-01
We present a new and complete library of synthetic spectra for modeling the component of emission that is reflected from an illuminated accretion disk. The spectra were computed using an updated version of our code XILLVER that incorporates new routines and a richer atomic database. We offer in the form of a table model an extensive grid of reflection models that cover a wide range of parameters. Each individual model is characterized by the photon index Γ of the illuminating radiation, the ionization parameter ξ at the surface of the disk (i.e., the ratio of the X-ray flux to the gas density), and the iron abundance A Fe relative to the solar value. The ranges of the parameters covered are 1.2 law flux. The models are expected to provide an accurate description of the Fe K emission line, which is the crucial spectral feature used to measure black hole spin. A total of 720 reflection spectra are provided in a single FITS file (http://hea-www.cfa.harvard.edu/~javier/xillver/) suitable for the analysis of X-ray observations via the atable model in XSPEC. Detailed comparisons with previous reflection models illustrate the improvements incorporated in this version of XILLVER.
Zhang, Xiaoyi; Pápai, Mátyás Imre; Møller, Klaus Braagaard
2016-01-01
undergoes small photo-induced structural changes which are challenging to characterize. In this work, X-ray transient absorption spectroscopy with picosecond temporal resolution is employed to determine the geometric and electronic structures of the photoexcited triplet state of [Os(terpy)2]2+ (terpy: 2......,2':6',2″-terpyridine) solvated in methanol. From the EXAFS analysis, the structural changes can be characterized by a slight overall expansion of the first coordination shell [OsN6]. DFT calculations supports the XTA results. They also provide additional information about the nature of the molecular orbitals...
Lida Gholamkar; Mahdi Sadeghi; Ali Asghar Mowlavi; Mitra Athari
2016-01-01
Introduction One of the best methods in the diagnosis and control of breast cancer is mammography. The importance of mammography is directly related to its value in the detection of breast cancer in the early stages, which leads to a more effective treatment. The purpose of this article was to calculate the X-ray spectrum in a mammography system with Monte Carlo codes, including MCNPX and MCNP5. Materials and Methods The device, simulated using the MCNP code, was Planmed Nuance digital mammog...
Kanai, Shun [Laboratory for Nanoelectronics and Spintronics, Research Institute of Electrical Communication, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Tsujikawa, Masahito; Shirai, Masafumi [Center for Spintronics Integrated Systems, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Research Institute of Electrical Communication, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Miura, Yoshio [Research Institute of Electrical Communication, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Department of Electronics and Information Science, Kyoto Institute of Technology, Kyoto (Japan); Matsukura, Fumihiro, E-mail: f-matsu@wpi-aimr.tohoku.ac.jp; Ohno, Hideo [Laboratory for Nanoelectronics and Spintronics, Research Institute of Electrical Communication, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Research Institute of Electrical Communication, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); WPI-Advanced Institute for Materials Research (WPI-AIMR), Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan)
2014-12-01
We study the spin and orbital magnetic moments in Ta/Co{sub 0.4}Fe{sub 0.4}B{sub 0.2}/MgO by x-ray magnetic circular dichroism measurements as well as first-principles calculations, in order to clarify the origin of the perpendicular magnetic anisotropy. Both experimental and theoretical results show that orbital magnetic moment of Fe is more anisotropic than that of Co with respect to the magnetization direction. The anisotropy is larger for thinner CoFeB, indicating that Fe atoms at the interface with MgO contribute more than Co to the observed perpendicular magnetic anisotropy.
Matiadis, Dimitrios; Tsironis, Dimitrios; Stefanou, Valentina; Igglessi–Markopoulou, Olga; McKee, Vickie; Sanakis, Yiannis; Lazarou, Katerina N.
2017-01-01
In this work we present a structural and spectroscopic analysis of a copper(II) N-acetyl-5-arylidene tetramic acid by using both experimental and computational techniques. The crystal structure of the Cu(II) complex was determined by single crystal X-ray diffraction and shows that the copper ion lies on a centre of symmetry, with each ligand ion coordinated to two copper ions, forming a 2D sheet. Moreover, the EPR spectroscopic properties of the Cu(II) tetramic acid complex were also explored and discussed. Finally, a computational approach was performed in order to obtain a detailed and precise insight of product structures and properties. It is hoped that this study can enrich the field of functional supramolecular systems, giving place to the formation of coordination-driven self-assembly architectures. PMID:28316540
de la Viuda, Mónica; Yus, Miguel; Guijarro, Albert
2011-12-15
The lithium ion is an important type of electrolyte that has technological applications in the manufacture of lithium ion cells; therefore, a better understanding of the nature of its solutions is desirable. When associated to the radical anion of biphenyl in an organic solvent, it forms conducting solutions comparable to strong electrolytes such as lithium perchlorate. We have studied the lithium biphenyl solution in dimethoxyethane using DFT calculations. The nature of these ionic solutions is described in terms of a dynamic equilibrium between different types of ionic associations, the composition of which depends on the solvent and the temperature. The X-ray structure of [Li(+)·4C(5)H(10)O][C(12)H(10)(•-)], a solvent-separated ion pair of lithium biphenyl complexed with tetrahydropyran, is reported. Its main structural characteristics coincide with the calculated one, which we think is the dominant species at room temperature, in agreement with the available physicochemical data.
WANG, Li-Qiong; LIU, Yan-Hong; ZHANG, Jian-Guo; ZHANG, Tong-Lai; YANG, Lia; QIAO, Xiao-Jing; HU, Xiao-Chun; GUO, Jin-Yu
2007-01-01
In this paper, the synthesis, crystal culturing and single-crystal X-ray crystallography of 1,3-di(2-p-tolylvingl)-2,4,6-trinitrobenzene (DTTB) were reported. FT-IR, 1H NMR and mass spectroscopy techniques were employed to characterize this compound. The results show that this single crystal belongs to triclinic system with space group P-1. Density functional theory (DFT) B3LYP was employed to optimize structure and calculate frequencies of the title compound. The calculated geometrical parameters were close to the corresponding experiment ones. The thermal decomposition of DTTB was investigated by DSC and TG-DTG methods at the heating rate of 10 ℃/min. It was observed that the initial decomposing temperature of DTTB was higher than that of TNTM, although its melting point was lower than that of TNTM, indicating that DTTB has higher heat resistant ability.
Are cosmic rays effective for ionization of the solar nebula?
Dolginov, A. Z.; Stepinski, T. F.
1993-01-01
In this paper, we argue that the effectiveness of cosmic rays to ionize the bulk of the nebular gas may be further impaired by the influence of the magnetic field on the propagation of cosmic rays. When cosmic rays enter the nebular disk they ionize the gas and make the dynamo generation of magnetic fields possible. However, once magnetic fields are embedded in the nebular gas, the upcoming cosmic rays can no longer penetrate directly into the nebular disk because they start to interact with the magnetic field and lose their energy before propagating significantly toward the midplane. That, in turn, undercuts the ionization source within the bulk of the gas stopping the dynamo action. Nebular dynamo models ignored this back reaction of magnetic fields on cosmic rays. We calculate this back reaction effect, but for the sake of mathematical simplicity, we ignore the effect of magnetic field weakening due to diminishing ionization by cosmic rays.
Iran SHEIKHSHOAIE
2012-09-01
Full Text Available This article presents the computational calculations of a cis-dioxomolybdenum(VI complex by using density functional theory (DFT with a DZP basis set (double zeta polarized basis set. The Schiff base 2-((E-(2-hydroxypropyliminomethyl-6-methoxyphenol was treated with MoO2(acac2 in dry methanol to produce the mononuclear complex methanol{2-methoxy-6-[(2-oxidopropyl iminomethyl]phenolato} dioxidomolybdenum(VI, whose structure has been solved and successfully refined in the monoclinic space group P21/c, with a = 6.755 Å, b = 15.835 Å, c = 13.119 Å, V = 1388.79 Å3, and Z = 4.
Nasir, M.; Pratama, D.; Anam, C.; Haryanto, F.
2016-03-01
The aim of this research was to calculate Size Specific Dose Estimates (SSDE) generated by the varian OBI CBCT v1.4 X-ray tube working at 100 kV using EGSnrc Monte Carlo simulations. The EGSnrc Monte Carlo code used in this simulation was divided into two parts. Phase space file data resulted by the first part simulation became an input to the second part. This research was performed with varying phantom diameters of 5 to 35 cm and varying phantom lengths of 10 to 25 cm. Dose distribution data were used to calculate SSDE values using trapezoidal rule (trapz) function in a Matlab program. SSDE obtained from this calculation was compared to that in AAPM report and experimental data. It was obtained that the normalization of SSDE value for each phantom diameter was between 1.00 and 3.19. The normalization of SSDE value for each phantom length was between 0.96 and 1.07. The statistical error in this simulation was 4.98% for varying phantom diameters and 5.20% for varying phantom lengths. This study demonstrated the accuracy of the Monte Carlo technique in simulating the dose calculation. In the future, the influence of cylindrical phantom material to SSDE would be studied.
Propagation Engineering in Wireless Communications
Ghasemi, Abdollah; Ghasemi, Farshid
2012-01-01
Wireless communications has seen explosive growth in recent decades, in a realm that is both broad and rapidly expanding to include satellite services, navigational aids, remote sensing, telemetering, audio and video broadcasting, high-speed data communications, mobile radio systems and much more. Propagation Engineering in Wireless Communications deals with the basic principles of radiowaves propagation for frequency bands used in radio-communications, offering descriptions of new achievements and newly developed propagation models. The book bridges the gap between theoretical calculations and approaches, and applied procedures needed for advanced radio links design. The primary objective of this two-volume set is to demonstrate the fundamentals, and to introduce propagation phenomena and mechanisms that engineers are likely to encounter in the design and evaluation of radio links of a given type and operating frequency. Volume one covers basic principles, along with tropospheric and ionospheric propagation,...
Electronic structure of RScO{sub 3} from x-ray spectroscopies and first-principles calculations
Derks, Christine; Neumann, Manfred [Department of Physics, University of Osnabrueck (Germany); Kuepper, Karsten [Department of Solid State Physics, University of Ulm (Germany); Postnikov, Andree [Laboratoire de Physique des Milieux Denses, Universite Paul Verlaine, Metz (France); Uecker, Reinhard [Institute for Crystal Growth, Berlin (Germany)
2011-07-01
Perovskites of the type RScO{sub 3}, where R represents a trivalent rare-earth metal, are high k materials and belong to the best available thin film substrates for the epitaxial growth of high quality thin films. This allows a so called strain tailoring of ferroelectric, ferromagnetic, or multiferroic perovskite thin films by choosing different RScO{sub 3}. With respect to these interesting properties there is up to now only rare knowledge available about the electronic structure of RScO{sub 3}. In a previous work we have already published a work on the electronic structure of SmScO{sub 3}, GdScO{sub 3}, and DyScO{sub 3}. As far as we know, it is the only work combining XPS, XES and XAS with ab initio electronic structure calculations. We are extending these successful investigations to single crystalline PrScO{sub 3}, NdScO{sub 3}, EuScO{sub 3} and TbScO{sub 3}. A complete electronic structure was obtained and the band gaps could be deduced for all these rare-earth scandates. All the results were found to be in good agreement with LDA+U calculations.
Jaradat, Adnan K; Biggs, Peter J
2007-05-01
The calculation of shielding barrier thicknesses for radiation therapy facilities according to the NCRP formalism is based on the use of broad beams (that is, the maximum possible field sizes). However, in practice, treatment fields used in radiation therapy are, on average, less than half the maximum size. Indeed, many contemporary treatment techniques call for reduced field sizes to reduce co-morbidity and the risk of second cancers. Therefore, published tenth value layers (TVLs) for shielding materials do not apply to these very small fields. There is, hence, a need to determine the TVLs for various beam modalities as a function of field size. The attenuation of (60)Co gamma rays and photons of 4, 6, 10, 15, and 18 MV bremsstrahlung x ray beams by concrete has been studied using the Monte Carlo technique (MCNP version 4C2) for beams of half-opening angles of 0 degrees , 3 degrees , 6 degrees , 9 degrees , 12 degrees , and 14 degrees . The distance between the x-ray source and the distal surface of the shielding wall was fixed at 600 cm, a distance that is typical for modern radiation therapy rooms. The maximum concrete thickness varied between 76.5 cm and 151.5 cm for (60)Co and 18 MV x rays, respectively. Detectors were placed at 630 cm, 700 cm, and 800 cm from the source. TVLs have been determined down to the third TVL. Energy spectra for 4, 6, 10, 15, and 18 MV x rays for 10 x 10 cm(2) and 40 x 40 cm(2) field sizes were used to generate depth dose curves in water that were compared with experimentally measured values.
Tajik, Marjan; Rozatian, Amir S.H. [Department of Physics, University of Isfahan, Hezar Jarib Street, Isfahan 81746-73441 (Iran, Islamic Republic of); Semsarha, Farid, E-mail: Semsarha@ibb.ut.ac.ir [Institute of Biochemistry and Biophysics (IBB), University of Tehran, P.O. Box: 13145-1384, Tehran (Iran, Islamic Republic of)
2015-03-01
In this study, simple single strand breaks (SSB) and double strand breaks (DSB) due to direct effects of the secondary electron spectrum of {sup 60}Co gamma rays on different organizational levels of a volume model of the B-DNA conformation have been calculated using the Geant4-DNA toolkit. Result of this study for the direct DSB yield shows a good agreement with other theoretical and experimental results obtained by both photons and their secondary electrons; however, in the case of SSB a noticeable difference can be observed. Moreover, regarding the almost constant yields of the direct strand breaks in the different structural levels of the DNA, calculated in this work, and compared with some theoretical studies, it can be deduced that the direct strand breaks yields depend mainly on the primary double helix structure of the DNA and the higher-order structures cannot have a noticeable effect on the direct DNA damage inductions by {sup 60}Co gamma rays. In contrast, a direct dependency between the direct SSB and DSB yields and the volume of the DNA structure has been found. Also, a further study on the histone proteins showed that they can play an important role in the trapping of low energy electrons without any significant effect on the direct DNA strand breaks inductions, at least in the range of energies used in the current study.
Soudani, S.; Jeanneau, E.; Jelsch, C.; Lefebvre, F.; Ben Nasr, C.
2017-10-01
The synthesis and the X-ray structure of the Zn(II) zwitterionic complex:1-ethylpiperaziniumtrichlorozincate (II) are described. In the atomic arrangement, the ZnCl3N entities, grouped in pairs, are deployed along the b-axis to form layers. The organic entities are inserted between these layers through Nsbnd H⋯Cl and Csbnd H⋯Cl hydrogen bonds to form infinite three-dimensional network. The 3D Hirshfeld surfaces were investigated for intermolecular interactions. The optimized geometry, Mulliken charge distribution, molecular electrostatic potential (MEP) maps and thermodynamic properties have been calculated using the Lee-Yang-Parr correlation functional B3LYP with the LanL2DZ basis set. The HOMO and LUMO energy gap and chemical reactivity parameters were made. The 13C and 15N CP-MAS NMR spectra are in agreement with the X-ray crystal structure. The vibrational absorption bands were identified by infrared spectroscopy. DFT calculations allowed the attribution of the NMR peaks and of the IR bands.
Mein, S [Duke University Medical Physics Graduate Program (United States); Gunasingha, R [Department of Radiation Safety, Duke University Medical Center (United States); Nolan, M [Department of Clinical Sciences, College of Veterinary Medicine, North Carolina State University (United States); Oldham, M; Adamson, J [Department of Radiation Oncology, Duke University Medical Center (United States)
2016-06-15
Purpose: X-PACT is an experimental cancer therapy where kV x-rays are used to photo-activate anti-cancer therapeutics through phosphor intermediaries (phosphors that absorb x-rays and re-radiate as UV light). Clinical trials in pet dogs are currently underway (NC State College of Veterinary Medicine) and an essential component is the ability to model the kV dose in these dogs. Here we report the commissioning and characterization of a Monte Carlo (MC) treatment planning simulation tool to calculate X-PACT radiation doses in canine trials. Methods: FLUKA multi-particle MC simulation package was used to simulate a standard X-PACT radiation treatment beam of 80kVp with the Varian OBI x-ray source geometry. The beam quality was verified by comparing measured and simulated attenuation of the beam by various thicknesses of aluminum (2–4.6 mm) under narrow beam conditions (HVL). The beam parameters at commissioning were then corroborated using MC, characterized and verified with empirically collected commissioning data, including: percent depth dose curves (PDD), back-scatter factors (BSF), collimator scatter factor(s), and heel effect, etc. All simulations were conducted for N=30M histories at M=100 iterations. Results: HVL and PDD simulation data agreed with an average percent error of 2.42%±0.33 and 6.03%±1.58, respectively. The mean square error (MSE) values for HVL and PDD (0.07% and 0.50%) were low, as expected; however, longer simulations are required to validate convergence to the expected values. Qualitatively, pre- and post-filtration source spectra matched well with 80kVp references generated via SPEKTR software. Further validation of commissioning data simulation is underway in preparation for first-time 3D dose calculations with canine CBCT data. Conclusion: We have prepared a Monte Carlo simulation capable of accurate dose calculation for use with ongoing X-PACT canine clinical trials. Preliminary results show good agreement with measured data and hold
Comic ray flux anisotropies caused by astrospheres
Scherer, K; Strauss, R. D.; Ferreira, S. E. S.; Fichtner, H.
2016-01-01
Huge astrospheres or stellar wind bubbles influence the propagation of cosmic rays at energies up to the TeV range and can act as small-scale sinks decreasing the cosmic ray flux. We model such a sink (in 2D) by a sphere of radius 10\\,pc embedded within a sphere of a radius of 1\\,kpc. The cosmic ray flux is calculated by means of backward stochastic differential equations from an observer, which is located at $r_{0}$, to the outer boundary. It turns out that such small-scale sinks can influen...
Gatial, Anton; Herich, Peter; Tarabová, Denisa; Milata, Viktor; Prónayová, Nadežda
2017-07-01
The conformers of push-pull 3-[(2,2-dimethylhydrazinyl)methylene]-pentane-2,4-dione (CH3)2Nsbnd NHsbnd CHdbnd C(COCH3)2 (DMHMP) have been studied experimentally by NMR and vibrational spectroscopy and theoretically by ab initio calculations at MP2 and DFT B3LYP levels in various basis sets. The NMR spectra were obtained in chloroform and dimethylsulfoxide and the IR and Raman spectra of DMHMP as a solid and as a solute in various less and more polar solvents at room temperature have been recorded. DMHMP was prepared as a pure solid and the data from X-ray analysis revealed that DMHMP exists in solid state as EZa conformer with an intramolecular hydrogen bond. The geometries and relative energies of possible conformers of DMHMP were evaluated at the both levels of theory in several basis sets and compared with the data from X-ray analysis. According to the NMR spectra the studied compound exists as a single entity. On the other hand vibrational spectra revealed that in less polar DMHMP solutions the presence of the second less polar ZZa conformer is possible, whereas in more polar solvent only one EZa conformer is observed. The influence of the environment polarity on this conformational equilibrium is discussed with respect to the SCRF solvent effect calculations using IEFPCM model. The observed IR and Raman bands were compared with calculated MP2/cc-pVTZ harmonic vibrational frequencies and assigned on the basis of potential energy distribution.
Vrel, D.; Girodon-Boulandet, N.; Paris, S.; Mazué, J. F.; Couqueberg, E.; Gailhanou, M.; Thiaudière, D.; Gaffet, E.; Bernard, F.
2002-02-01
A new experimental setup for time resolved x-ray diffraction is described. Designed for the LURE H10 beamline and its 4 (+2) circles goniometer, it allows simultaneous recordings of x-ray patterns with a rate of 30 patterns per second, a maximum 2θ range of 120°, infrared thermography at the same rate, and thermocouples readings at a frequency of up to 3×104 Hz. Preliminary results obtained using this setup are presented, showing how it is possible to analyze a solid-solid or solid-liquid reaction. As an example, an in situ study of phase transformation and temperature evolution during the self-sustaining synthesis of an FeAl intermetallic compound starting from a mechanically activated mixture is investigated. The versatility of the setup was proved and could even be enhanced by the design of new sample holders, thus expanding its area of use at low cost.
Surprises from extragalactic propagation of UHECRs
Boncioli, Denise; Grillo, Aurelio
2015-01-01
Ultra-high energy cosmic ray experimental data are now of very good statistical significance even in the region of the expected GZK feature. The identification of their sources requires sophisticate analysis of their propagation in the extragalactic space. When looking at the details of this propagation some unforeseen features emerge. We will discuss some of these "surprises".
Kanisch, G.
2017-05-01
The concepts of ISO 11929 (2010) are applied to evaluation of radionuclide activities from more complex multi-nuclide gamma-ray spectra. From net peak areas estimated by peak fitting, activities and their standard uncertainties are calculated by weighted linear least-squares method with an additional step, where uncertainties of the design matrix elements are taken into account. A numerical treatment of the standard's uncertainty function, based on ISO 11929 Annex C.5, leads to a procedure for deriving decision threshold and detection limit values. The methods shown allow resolving interferences between radionuclide activities also in case of calculating detection limits where they can improve the latter by including more than one gamma line per radionuclide. The co"mmon single nuclide weighted mean is extended to an interference-corrected (generalized) weighted mean, which, combined with the least-squares method, allows faster detection limit calculations. In addition, a new grouped uncertainty budget was inferred, which for each radionuclide gives uncertainty budgets from seven main variables, such as net count rates, peak efficiencies, gamma emission intensities and others; grouping refers to summation over lists of peaks per radionuclide.
Ingerle, D.; Pepponi, G.; Meirer, F.; Wobrauschek, P.; Streli, C.
2016-04-01
Grazing incidence XRF (GIXRF) is a very surface sensitive, nondestructive analytical tool making use of the phenomenon of total external reflection of X-rays on smooth polished surfaces. In recent years the method experienced a revival, being a powerful tool for process analysis and control in the fabrication of semiconductor based devices. Due to the downscaling of the process size for semiconductor devices, junction depths as well as layer thicknesses are reduced to a few nanometers, i.e. the length scale where GIXRF is highly sensitive. GIXRF measures the X-ray fluorescence induced by an X-ray beam incident under varying grazing angles and results in angle dependent intensity curves. These curves are correlated to the layer thickness, depth distribution and mass density of the elements in the sample. But the evaluation of these measurements is ambiguous with regard to the exact distribution function for the implants as well as for the thickness and density of nanometer-thin layers. In order to overcome this ambiguity, GIXRF can be combined with X-ray reflectometry (XRR). This is straightforward, as both techniques use similar measurement procedures and the same fundamental physical principles can be used for a combined data evaluation strategy. Such a combined analysis removes ambiguities in the determined physical properties of the studied sample and, being a correlative spectroscopic method, also significantly reduces experimental uncertainties of the individual techniques. In this paper we report our approach to a correlative data analysis, based on a concurrent calculation and fitting of simultaneously recorded GIXRF and XRR data. Based on this approach we developed JGIXA (Java Grazing Incidence X-ray Analysis), a multi-platform software package equipped with a user-friendly graphic user interface (GUI) and offering various optimization algorithms. Software and data evaluation approach were benchmarked by characterizing metal and metal oxide layers on
Fransson, Thomas; Burdakova, Daria; Norman, Patrick
2016-05-21
X-ray absorption spectra of carbon, silicon, germanium, and sulfur compounds have been investigated by means of damped four-component density functional response theory. It is demonstrated that a reliable description of relativistic effects is obtained at both K- and L-edges. Notably, an excellent agreement with experimental results is obtained for L2,3-spectra-with spin-orbit effects well accounted for-also in cases when the experimental intensity ratio deviates from the statistical one of 2 : 1. The theoretical results are consistent with calculations using standard response theory as well as recently reported real-time propagation methods in time-dependent density functional theory, and the virtues of different approaches are discussed. As compared to silane and silicon tetrachloride, an anomalous error in the absolute energy is reported for the L2,3-spectrum of silicon tetrafluoride, amounting to an additional spectral shift of ∼1 eV. This anomaly is also observed for other exchange-correlation functionals, but it is seen neither at other silicon edges nor at the carbon K-edge of fluorine derivatives of ethene. Considering the series of molecules SiH4-XFX with X = 1, 2, 3, 4, a gradual divergence from interpolated experimental ionization potentials is observed at the level of Kohn-Sham density functional theory (DFT), and to a smaller extent with the use of Hartree-Fock. This anomalous error is thus attributed partly to difficulties in correctly emulating the electronic structure effects imposed by the very electronegative fluorines, and partly due to inconsistencies in the spurious electron self-repulsion in DFT. Substitution with one, or possibly two, fluorine atoms is estimated to yield small enough errors to allow for reliable interpretations and predictions of L2,3-spectra of more complex and extended silicon-based systems.
Lam, Wai Sze Tiffany
Optical components made of anisotropic materials, such as crystal polarizers and crystal waveplates, are widely used in many complex optical system, such as display systems, microlithography, biomedical imaging and many other optical systems, and induce more complex aberrations than optical components made of isotropic materials. The goal of this dissertation is to accurately simulate the performance of optical systems with anisotropic materials using polarization ray trace. This work extends the polarization ray tracing calculus to incorporate ray tracing through anisotropic materials, including uniaxial, biaxial and optically active materials. The 3D polarization ray tracing calculus is an invaluable tool for analyzing polarization properties of an optical system. The 3x3 polarization ray tracing P matrix developed for anisotropic ray trace assists tracking the 3D polarization transformations along a ray path with series of surfaces in an optical system. To better represent the anisotropic light-matter interactions, the definition of the P matrix is generalized to incorporate not only the polarization change at a refraction/reflection interface, but also the induced optical phase accumulation as light propagates through the anisotropic medium. This enables realistic modeling of crystalline polarization elements, such as crystal waveplates and crystal polarizers. The wavefront and polarization aberrations of these anisotropic components are more complex than those of isotropic optical components and can be evaluated from the resultant P matrix for each eigen-wavefront as well as for the overall image. One incident ray refracting or reflecting into an anisotropic medium produces two eigenpolarizations or eigenmodes propagating in different directions. The associated ray parameters of these modes necessary for the anisotropic ray trace are described in Chapter 2. The algorithms to calculate the P matrix from these ray parameters are described in Chapter 3 for
张攀; 陈新华; 陈琳
2011-01-01
建立了顺风条件下大气声传播的声线半分析模型,等效声速为对数声速剖面.模型采用分析迭代的方法,通过积分得到声线轨迹的解析解,并对声线进行分组,每组都由四条声线组成,从而计算出远场声压的超额衰减.较其他方法而言,该模型计算时间较短,最终得到了考虑地面反射和大气折射影响的超额衰减频率响应曲线.%The semi analytical ray model of the atmosphere sound propagation under the downwind condition has been established, the equivalent sound profile is replaced by the power profile of the sound speed. The analysis and iterative method have been employed in this model to solve the analytic solution of the ray tracks through integral , which takes the advantage of the fact that ray paths are ordered in groups of four, therefore the far field excess attenuation can be calculated. Compared with other methods, and this model requires a very small compulation time. Ground reflections and atmosphere refractions are taken into account to evaluate the excess attenuation and other solutions in this model. Finaly, the curve of excess attenuation versus frequency are plotted.
Ebrahimipour, S. Yousef; Sheikhshoaie, Iran; Mohamadi, Maryam; Suarez, Sebastian; Baggio, Ricardo; Khaleghi, Moj; Torkzadeh-Mahani, Masoud; Mostafavi, Ali
2015-05-01
Two new Cu(II) complexes, [Cu(L)(phen)] (1), [Cu(L)(bipy)] (2), where L2- = (3-methoxy-2oxidobenzylidene)benzohydrazidato, phen = 1,10 phenanthroline, and bipy = 2,2‧ bipyridine, were prepared and fully characterized using elemental analyses, FT-IR, molar conductivity, and electronic spectra. The structures of both complexes were also determined by X-ray diffraction. It was found that, both complexes possessed square pyramidal coordination environment in which, Cu(II) ions were coordinated by donor atoms of HL and two nitrogens of heterocyclic bases. Computational studies were performed using DFT calculations at B3LYP/6-311+G(d,p) level of theory. DNA binding activities of these complexes were also investigated using electronic absorption, competitive fluorescence titration and cyclic voltammetry studies. The obtained results indicated that binding of the complexes to DNA was of intercalative mode. Furthermore, antimicrobial activities of these compounds were screened against microorganisms.
Foury-Leylekian, Pascale; Pouget, Jean-Paul; Lee, Young-Joo; Nieminen, Risto M.; Ordejón, Pablo; Canadell, Enric
2010-10-01
α-(BEDT-TTF)2KHg(SCN)4 develops a density wave ground state below 8 K whose origin is still debated. Here we report a combined x-ray diffuse scattering and first-principles density functional theory study supporting the charge density wave (CDW) scenario. In particular, we observe a triply incommensurate anharmonic lattice modulation with intralayer wave vector components which coincide within experimental errors to the maximum of the calculated Lindhard response function. A detailed study of the structural aspects of the modulation shows that the CDW instability in α-(BEDT-TTF)2KHg(SCN)4 is considerably more involved than those following a standard Peierls mechanism. We thus propose a microscopic mechanism where the CDW instability of the BEDT-TTF layer is triggered by the anion sublattice. Our mechanism also emphasizes the key role of the coupling of the BEDT-TTF and anion layers via the hydrogen bond network to set the global modulation.
X-ray diffraction residual stress calculation on textured La 2/3Sr 1/3MnO 3 thin film
Meda, Lamartine; Dahmen, Klaus H.; Hayek, Saleh; Garmestani, Hamid
2004-03-01
Residual stresses and texture in La2/3Sr1/3MnO3 (LSMO) thin films have been investigated. The films were deposited on (1 0 0) LaAlO3 (LAO) and (1 0 0) MgO single crystals by liquid delivery-metal organic chemical vapor deposition (LD-MOCVD). X-ray diffraction (XRD) pole figures showed (0 0 1)LSMO//(0 0 1)LAO and (0 0 1)LSMO//(0 0 1)MgO preferred orientation. Residual stresses were calculated using a modified sin2 ψ method, crystallite group method (CGM), assuming a biaxial stress state. Compressive stresses on the order of 224 and 1150 MPa were obtained for LSMO films deposited on LAO (LSMO/LAO) and MgO (LSMO/MgO), respectively.
Ching, Wai-Yim; Rulis, Paul
2009-03-11
Over the last eight years, a large number of x-ray absorption near edge structure (XANES) and/or electron energy loss near edge structure (ELNES) spectroscopic calculations for complex oxides and nitrides have been performed using the supercell-OLCAO (orthogonalized linear combination of atomic orbitals) method, obtaining results in very good agreement with experiments. The method takes into account the core-hole effect and includes the dipole matrix elements calculated from ab initio wavefunctions. In this paper, we describe the method in considerable detail, emphasizing the special advantages of this method for large complex systems. Selected results are reviewed and several hitherto unpublished results are also presented. These include the Y K edge of Y ions segregated to the core of a Σ31 grain boundary in alumina, O K edges of water molecules, C K edges in different types of single walled carbon nanotubes, and the Co K edge in the cyanocobalamin (vitamin B(12)) molecule. On the basis of these results, it is argued that the interpretation of specific features of the calculated XANES/ELNES edges is not simple for complex material systems because of the delocalized nature of the conduction band states. The long-standing notion of the 'fingerprinting' technique for spectral interpretation of experimental data is not tenable. A better approach is to fully characterize the structure under study, using either crystalline data or accurate ab initio modeling. Comparison between calculated XANES/ELNES spectra and available measurements enables us to ascertain the validity of the modeled structure. For complex crystals or structures, it is necessary to use the weighted sum of the spectra from structurally nonequivalent sites for comparison with the measured data. Future application of the supercell-OLCAO method to complex biomolecular systems is also discussed.
Lavrentyev, A. A.; Gabrelian, B. V.; Vu, V. T.; Parasyuk, O. V.; Fedorchuk, A. O.; Khyzhun, O. Y.
2016-10-01
A high-quality single crystal of cesium mercury tetrabromide, Cs2HgCl4, was synthesized by using the vertical Bridgman-Stockbarger method and its electronic structure was studied from both experimental and theoretical viewpoints. In particular, X-ray photoelectron spectra were measured for both pristine and Ar+ ion-bombarded Cs2HgCl4 single crystal surfaces. The present XPS measurements indicate that the Cs2HgCl4 single crystal surface is sensitive with respect to Ar+ ion-bombardment: such a treatment changes substantially its elemental stoichiometry. With the aim of exploring total and partial densities of states within the valence band and conduction band regions of the Cs2HgCl4 compound, band-structure calculations based on density functional theory (DFT) using the augmented plane wave + local orbitals (APW + lo) method as incorporated within the WIEN2k package are performed. The calculations indicate that the Cl 3p states are the principal contributors in the upper portion of the valence band, while the Hg 5d and Cs 5p states dominate in its lower portion. In addition, the calculations allow for concluding that the unoccupied Cl p and Hg s states are the main contributors to the bottom of the conduction band. Furthermore, main optical characteristics of Cs2HgCl4, namely dispersion of the absorption coefficient, real and imaginary parts of dielectric function, electron energy-loss spectrum, refractive index, extinction coefficient and optical reflectivity, are elucidated based on the DFT calculations.
Ching, W.-Y.; Rulis, Paul [Department of Physics, University of Missouri-Kansas City, Kansas City, MO 64110 (United States)
2009-03-11
Over the last eight years, a large number of x-ray absorption near edge structure (XANES) and/or electron energy loss near edge structure (ELNES) spectroscopic calculations for complex oxides and nitrides have been performed using the supercell-OLCAO (orthogonalized linear combination of atomic orbitals) method, obtaining results in very good agreement with experiments. The method takes into account the core-hole effect and includes the dipole matrix elements calculated from ab initio wavefunctions. In this paper, we describe the method in considerable detail, emphasizing the special advantages of this method for large complex systems. Selected results are reviewed and several hitherto unpublished results are also presented. These include the Y K edge of Y ions segregated to the core of a {sigma}31 grain boundary in alumina, O K edges of water molecules, C K edges in different types of single walled carbon nanotubes, and the Co K edge in the cyanocobalamin (vitamin B{sub 12}) molecule. On the basis of these results, it is argued that the interpretation of specific features of the calculated XANES/ELNES edges is not simple for complex material systems because of the delocalized nature of the conduction band states. The long-standing notion of the 'fingerprinting' technique for spectral interpretation of experimental data is not tenable. A better approach is to fully characterize the structure under study, using either crystalline data or accurate ab initio modeling. Comparison between calculated XANES/ELNES spectra and available measurements enables us to ascertain the validity of the modeled structure. For complex crystals or structures, it is necessary to use the weighted sum of the spectra from structurally nonequivalent sites for comparison with the measured data. Future application of the supercell-OLCAO method to complex biomolecular systems is also discussed.
Ching, Wai-Yim; Rulis, Paul
2009-03-01
Over the last eight years, a large number of x-ray absorption near edge structure (XANES) and/or electron energy loss near edge structure (ELNES) spectroscopic calculations for complex oxides and nitrides have been performed using the supercell-OLCAO (orthogonalized linear combination of atomic orbitals) method, obtaining results in very good agreement with experiments. The method takes into account the core-hole effect and includes the dipole matrix elements calculated from ab initio wavefunctions. In this paper, we describe the method in considerable detail, emphasizing the special advantages of this method for large complex systems. Selected results are reviewed and several hitherto unpublished results are also presented. These include the Y K edge of Y ions segregated to the core of a Σ31 grain boundary in alumina, O K edges of water molecules, C K edges in different types of single walled carbon nanotubes, and the Co K edge in the cyanocobalamin (vitamin B12) molecule. On the basis of these results, it is argued that the interpretation of specific features of the calculated XANES/ELNES edges is not simple for complex material systems because of the delocalized nature of the conduction band states. The long-standing notion of the 'fingerprinting' technique for spectral interpretation of experimental data is not tenable. A better approach is to fully characterize the structure under study, using either crystalline data or accurate ab initio modeling. Comparison between calculated XANES/ELNES spectra and available measurements enables us to ascertain the validity of the modeled structure. For complex crystals or structures, it is necessary to use the weighted sum of the spectra from structurally nonequivalent sites for comparison with the measured data. Future application of the supercell-OLCAO method to complex biomolecular systems is also discussed.
Cerdeno, David G; Green, Anne M; Peiro, Miguel
2016-01-01
When comparing constraints on the Weakly Interacting Massive Particle (WIMP) properties from direct and indirect detection experiments it is crucial that the assumptions made about the dark matter (DM) distribution are realistic and consistent. For instance, if the Fermi-LAT Galactic centre GeV gamma-ray excess was due to WIMP annihilation, its morphology would be incompatible with the Standard Halo Model that is usually used to interpret data from direct detection experiments. In this article, we calculate exclusion limits from direct detection experiments using self-consistent velocity distributions, derived from mass models of the Milky Way where the DM halo has a generalized NFW profile. We use two different methods to make the mass model compatible with a DM interpretation of the Galactic centre gamma-ray excess. Firstly, we fix the inner slope of the DM density profile to the value that best fits the morphology of the excess. Secondly, we allow the inner slope to vary and include the morphology of the e...
Dolmella, A.; Bandoli, G.; Cavallin, M.
2000-08-01
LU 25-109 ( II) and WAL 2014 (talsaclidine, III) are two M1 muscarinic agonists chemically related to the natural substance arecoline ( I). All these compounds have beneficial effects on memory and cognition in animals and humans, and they have been proposed in the treatment of Alzheimer's disease, but only III will likely find a place in therapy. In this work we have investigated the solid state structures of II and III, and the X-ray structures of the two molecules and of the parent compound I have been used to input a series of computational chemistry efforts. In particular, the X-ray geometries have been manipulated to model 20 molecular structures ( 1- 20) which have been submitted to ab initio, semiempirical quantum mechanics and molecular mechanics calculations. The conformational space accessible to the 20 structures has been assessed by means of potential energy maps. The reactivities of 1- 20 have been estimated by examining at the graphics terminal the composition and the extension of the frontier orbitals (HOMOs and LUMOs) and of the molecular electrostatic potential. The information obtained has been interpreted to explain the different degrees of activity shown by I- III. Our data indicate that III has better in vivo activity for its intermediate size, less polar surface, conformational rigidity and orientation of reactive domains.
Feizi, Sepehr; Delfazayebaher, Siamak; Ownagh, Vahid; Sadeghpour, Fatemeh
2017-08-03
To evaluate the agreement between total corneal astigmatism calculated by vector summation of anterior and posterior corneal astigmatism (TCAVec) and total corneal astigmatism measured by ray tracing (TCARay). This study enrolled a total of 204 right eyes of 204 normal subjects. The eyes were measured using a Galilei double Scheimpflug analyzer. The measured parameters included simulated keratometric astigmatism using the keratometric index, anterior corneal astigmatism using the corneal refractive index, posterior corneal astigmatism, and TCARay. TCAVec was derived by vector summation of the astigmatism on the anterior and posterior corneal surfaces. The magnitudes and axes of TCAVec and TCARay were compared. The Pearson correlation coefficient and Bland-Altman plots were used to assess the relationship and agreement between TCAVec and TCARay, respectively. The mean TCAVec and TCARay magnitudes were 0.76±0.57D and 1.00±0.78D, respectively (Pvector summation and ray tracing methods cannot be used interchangeably. There was a systematic error between the TCAVec and TCARay magnitudes. Copyright © 2017 Spanish General Council of Optometry. Published by Elsevier España, S.L.U. All rights reserved.
Cerdeño, David G.; Fornasa, Mattia; Green, Anne M.; Peiró, Miguel
2016-08-01
When comparing constraints on the weakly interacting massive particle (WIMP) properties from direct and indirect detection experiments it is crucial that the assumptions made about the dark matter (DM) distribution are realistic and consistent. For instance, if the Fermi-LAT Galactic center GeV gamma-ray excess was due to WIMP annihilation, its morphology would be incompatible with the standard halo model that is usually used to interpret data from direct detection experiments. In this article, we calculate exclusion limits from direct detection experiments using self-consistent velocity distributions, derived from mass models of the Milky Way where the DM halo has a generalized Navarro-Frenk-White profile. We use two different methods to make the mass model compatible with a DM interpretation of the Galactic center gamma-ray excess. First, we fix the inner slope of the DM density profile to the value that best fits the morphology of the excess. Second, we allow the inner slope to vary and include the morphology of the excess in the data sets used to constrain the gravitational potential of the Milky Way. The resulting direct detection limits differ significantly from those derived using the standard halo model, in particular for light WIMPs, due to the differences in both the local DM density and velocity distribution.
Xiaoyi Zhang
2016-02-01
Full Text Available Characterizing the geometric and electronic structures of individual photoexcited dye molecules in solution is an important step towards understanding the interfacial properties of photo-active electrodes. The broad family of “red sensitizers” based on osmium(II polypyridyl compounds often undergoes small photo-induced structural changes which are challenging to characterize. In this work, X-ray transient absorption spectroscopy with picosecond temporal resolution is employed to determine the geometric and electronic structures of the photoexcited triplet state of [Os(terpy2]2+ (terpy: 2,2′:6′,2″-terpyridine solvated in methanol. From the EXAFS analysis, the structural changes can be characterized by a slight overall expansion of the first coordination shell [OsN6]. DFT calculations supports the XTA results. They also provide additional information about the nature of the molecular orbitals that contribute to the optical spectrum (with TD-DFT and the near-edge region of the X-ray spectra.
Bidola, P; Morgan, K; Willner, M; Fehringer, A; Allner, S; Prade, F; Pfeiffer, F; Achterhold, K
2017-02-09
Several dedicated commercial lab-based micro-computed tomography (μCT) systems exist, which provide high-resolution images of samples, with the capability to also deliver in-line phase contrast. X-ray phase contrast is particularly beneficial when visualizing very small features and weakly absorbing samples. The raw measured projections will include both phase and absorption effects. Extending our previous work that addressed the optimization of experimental conditions at the commercial ZEISS Xradia 500 Versa system, single-distance phase-contrast imaging is demonstrated on complex biological and material samples. From data captured at this system, we demonstrate extraction of the phase signal or the correction of the mixed image for the phase shift, and show how this procedure increases the contrast and removes artefacts. These high-quality images, measured without the use of a synchrotron X-ray source, demonstrate that highly sensitive, micrometre-resolution imaging of 3D volumes is widely accessible using commercially advanced laboratory devices.
A Chaparian
2014-01-01
Full Text Available The objectives of this paper were calculation and comparison of the effective doses, the risks of exposure-induced cancer, and dose reduction in the gonads for male and female patients in different projections of some X-ray examinations. Radiographies of lumbar spine [in the eight projections of anteroposterior (AP, posteroanterior (PA, right lateral (RLAT, left lateral (LLAT, right anterior-posterior oblique (RAO, left anterior-posterior oblique (LAO, right posterior-anterior oblique (RPO, and left posterior-anterior oblique (LPO], abdomen (in the two projections of AP and PA, and pelvis (in the two projections of AP and PA were investigated. A solid-state dosimeter was used for the measuring of the entrance skin exposure. A Monte Carlo program was used for calculation of effective doses, the risks of radiation-induced cancer, and doses to the gonads related to the different projections. Results of this study showed that PA projection of abdomen, lumbar spine, and pelvis radiographies caused 50%-57% lower effective doses than AP projection and 50%-60% reduction in radiation risks. Also use of LAO projection of lumbar spine X-ray examination caused 53% lower effective dose than RPO projection and 56% and 63% reduction in radiation risk for male and female, respectively, and RAO projection caused 28% lower effective dose than LPO projection and 52% and 39% reduction in radiation risk for males and females, respectively. About dose reduction in the gonads, using of the PA position rather than AP in the radiographies of the abdomen, lumbar spine, and pelvis can result in reduction of the ovaries doses in women, 38%, 31%, and 25%, respectively and reduction of the testicles doses in males, 76%, 86%, and 94%, respectively. Also for oblique projections of lumbar spine X-ray examination, with employment of LAO rather than RPO and also RAO rather than LPO, demonstrated 22% and 13% reductions to the ovaries doses and 66% and 54% reductions in the
Mewaldt, R.A.
1986-12-01
Cosmic-ray He-3/He-4 observations, including a new measurement around 65 MeV per nucleon from ISEE-3, are compared with interstellar propagation and solar modulation calculations in an effort to understand the origin of cosmic-ray He nuclei. A survey of spacecraft and balloon observations of the He-3/He-4 ratio shows improved consistency among measurements in the 50-300 MeV per nucleon energy range when a previously neglected contribution from atmospheric secondary He-3 is taken into account. These low-energy observations imply a mean escape length of 6-8 g/sq cm in the standard leaky box model for cosmic-ray propagation in the Galaxy, a value consistent with that derived from studies of heavier nuclei. No evidence is found for an excess of low-energy He-3 such as that reported at high energies. 42 references.
Propagation engineering in wireless communications
Ghasemi, Abdollah; Ghasemi, Farshid
2016-01-01
This book covers the basic principles for understanding radio wave propagation for common frequency bands used in radio-communications. This includes achievements and developments in propagation models for wireless communication. This book is intended to bridge the gap between the theoretical calculations and approaches to the applied procedures needed for radio links design in a proper manner. The authors emphasize propagation engineering by giving fundamental information and explain the use of basic principles together with technical achievements. This new edition includes additional information on radio wave propagation in guided media and technical issues for fiber optics cable networks with several examples and problems. This book also includes a solution manual - with 90 solved examples distributed throughout the chapters - and 158 problems including practical values and assumptions.
Seeded QED cascades in counter propagating laser pulses
Grismayer, Thomas; Martins, Joana L; Fonseca, Ricardo; Silva, Luís O
2015-01-01
The growth rates of seeded QED cascades in counter propagating lasers are calculated with 2D/3D QED-PIC simulations. The dependence of the growth rate on laser polarisation and intensity are compared with analytical models that support simulations results. The models provide an insight regarding the qualitative trend of the cascade growth when the intensity of the laser field is varied. The results suggest that relativistic pair plasmas and efficient conversion from laser photons to gamma rays can be created with the typical intensities planned to operate on future ultra-intense laser facilities such as ELI or VULCAN.
Joubert, J.-M., E-mail: jean-marc.joubert@icmpe.cnrs.fr [Chimie Metallurgique des Terres Rares, Institut de Chimie et des Materiaux Paris-Est, CNRS, Universite Paris-Est, UMR 7182, 2-8 rue Henri Dunant, F-94320 Thiais, France. (France); Colinet, C. [Science et Ingenierie des Materiaux et Procedes, Grenoble INP, UJF, CNRS, 38402 Saint Martin d' Heres Cedex (France); Rodrigues, G. [Laboratorio de Materiais e Metalurgia, Instituto de Engenharia Mecanica, Universidade Federal de Itajuba, Av. BPS 1303, 37500-903 Itajuba-MG (Brazil); Mestrado Profissional em Materiais, Centro Universitario de Volta Redonda, Av. Paulo Erlei Alves Abrantes 1325, 27240-560 Volta Redonda-RJ (Brazil); Suzuki, P.A.; Nunes, C.A. [Departamento de Engenharia de Materiais, Escola de Engenharia de Lorena, Universidade de Sao Paulo, Caixa Posta 116, 12600-970 Lorena-SP (Brazil); Coelho, G.C. [Mestrado Profissional em Materiais, Centro Universitario de Volta Redonda, Av. Paulo Erlei Alves Abrantes 1325, 27240-560 Volta Redonda-RJ (Brazil); Departamento de Engenharia de Materiais, Escola de Engenharia de Lorena, Universidade de Sao Paulo, Caixa Posta 116, 12600-970 Lorena-SP (Brazil); Tedenac, J.-C. [Institut de Chimie Moleculaire et des Materiaux I.C.G., UMR-CNRS 5253, Universite Montpellier II, Place E. Bataillon, 34095 Montpellier Cedex 5 (France)
2012-06-15
The solid solution based on Nb{sub 5}Si{sub 3} (Cr{sub 5}B{sub 3} structure type, D8{sub l}, tI32, I4/mcm, No140, a=6.5767 A, c=11.8967 A) in the Nb-Si-B system was studied from the structural and thermodynamic point of view both experimentally and by ab initio calculations. Rietveld refinement of powder X-ray synchrotron data allowed to determine the boron to silicon substitution mechanism and the structural parameters. Ab initio calculations of different ordered compounds and selected disordered alloys allowed to obtain in addition to the enthalpy of formation of the solution, substitution mechanism and structural parameters which are in excellent agreement with the experimental data. The stability of the phase is discussed. - Graphial abstract: Valence-charge electron localization function in the z=0 plane of the D8{sub l} structure for the ordered compound Nb{sub 5}SiB{sub 2}. Highlights: Black-Right-Pointing-Pointer Coupling between ab initio data and experimental results from synchrotron powder diffraction. Black-Right-Pointing-Pointer Excellent agreement between the two techniques for the site occupancies and internal coordinates. Black-Right-Pointing-Pointer Explanation of the phase stability up to Nb{sub 5}SiB{sub 2}.
Martini, M; Hilaire, S; Goriely, S; Lechaftois, F
2016-01-01
Valuable theoretical predictions of nuclear dipole excitations in the whole chart are of great interest for different nuclear applications, including in particular nuclear astrophysics. Here we present large-scale calculations of the $E1$ $\\gamma$-ray strength function obtained in the framework of the axially-symmetric deformed QRPA based on the finite-range Gogny force. This approach is applied to even-even nuclei, the strength function for odd nuclei being derived by interpolation. The convergence with respect to the adopted number of harmonic oscillator shells and the cut-off energy introduced in the 2-quasiparticle (2-$qp$) excitation space is analyzed. The calculations performed with two different Gogny interactions, namely D1S and D1M, are compared. A systematic energy shift of the $E1$ strength is found for D1M relative to D1S, leading to a lower energy centroid and a smaller energy-weighted sum rule for D1M. When comparing with experimental photoabsorption data, the Gogny-QRPA predictions are found to...
Range safety signal propagation through the SRM exhaust plume of the space shuttle
Boynton, F. P.; Davies, A. R.; Rajasekhar, P. S.; Thompson, J. A.
1977-01-01
Theoretical predictions of plume interference for the space shuttle range safety system by solid rocket booster exhaust plumes are reported. The signal propagation was calculated using a split operator technique based upon the Fresnel-Kirchoff integral, using fast Fourier transforms to evaluate the convolution and treating the plume as a series of absorbing and phase-changing screens. Talanov's lens transformation was applied to reduce aliasing problems caused by ray divergence.
Unquenched Gluon Propagator in Landau Gauge
2004-01-01
Using lattice quantum chromodynamics (QCD) we perform an unquenched calculation of the gluon propagator in Landau gauge. We use configurations generated with the AsqTad quark action by the MILC collaboration for the dynamical quarks and compare the gluon propagator of quenched QCD (i.e., the pure Yang-Mills gluon propagator) with that of 2+1 flavor QCD. The effects of the dynamical quarks are clearly visible and lead to a significant reduction of the nonperturbative infrared enhancement relat...
Murshed, M. Mangir, E-mail: murshed@uni-bremen.de [Chemische Kristallographie fester Stoffe, Institut für Anorganische Chemie, Universität Bremen, Leobener Straße, D-28359 Bremen (Germany); Mendive, Cecilia B.; Curti, Mariano [Departamento de Química, Facultad de Ciencias Exactas y Naturales, Universidad Nacional de Mar del Plata, Dean Funes 3350, B7600AYL, Mar del Plata (Argentina); Nénert, Gwilherm [Institut Laue-Langevin, 6 rue Jules Horowitz, 38042 Grenoble (France); Kalita, Patricia E. [Department of Physics and Astronomy and High-Pressure Science and Engineering Center, University of Nevada Las Vegas, Box 4002, Las Vegas, NV 89154-4002 (United States); Lipinska, Kris [Department of Mechanical Engineering, University of Nevada Las Vegas, 4505 Maryland Parkway, Box 454009, Las Vegas, NV 89154-4009 (United States); Cornelius, Andrew L. [Department of Physics and Astronomy and High-Pressure Science and Engineering Center, University of Nevada Las Vegas, Box 4002, Las Vegas, NV 89154-4002 (United States); Huq, Ashfia [Chemical and Engineering Materials Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831-6475 (United States); Gesing, Thorsten M. [Chemische Kristallographie fester Stoffe, Institut für Anorganische Chemie, Universität Bremen, Leobener Straße, D-28359 Bremen (Germany)
2014-11-15
Highlights: • Mullite-type PbFeBO{sub 4} shows uni-axial negative coefficient of thermal expansion. • Anisotropic thermal expansion of the metric parameters was modeled using modified Grüneisen approximation. • The model includes harmonic, quasi-harmonic and intrinsic anharmonic contributions to the internal energy. • DFT calculation, temperature- and pressure-dependent Raman spectra help understand the phonon decay and associated anharmonicity. - Abstract: The lattice thermal expansion of mullite-type PbFeBO{sub 4} is presented in this study. The thermal expansion coefficients of the metric parameters were obtained from composite data collected from temperature-dependent neutron and X-ray powder diffraction between 10 K and 700 K. The volume thermal expansion was modeled using extended Grüneisen first-order approximation to the zero-pressure equation of state. The additive frame of the model includes harmonic, quasi-harmonic and intrinsic anharmonic potentials to describe the change of the internal energy as a function of temperature. The unit-cell volume at zero-pressure and 0 K was optimized during the DFT simulations. Harmonic frequencies of the optical Raman modes at the Γ-point of the Brillouin zone at 0 K were also calculated by DFT, which help to assign and crosscheck the experimental frequencies. The low-temperature Raman spectra showed significant anomaly in the antiferromagnetic regions, leading to softening or hardening of some phonons. Selected modes were analyzed using a modified Klemens model. The shift of the frequencies and the broadening of the line-widths helped to understand the anharmonic vibrational behaviors of the PbO{sub 4}, FeO{sub 6} and BO{sub 3} polyhedra as a function of temperature.
Haerle, Rainer; Riedo, Elisa; Pasquarello, Alfredo; Baldereschi, Alfonso
2002-01-01
Using a combined experimental and theoretical approach, we address C 1s core-level shifts in amorphous carbon. Experimental results are obtained by x-ray photoelectron spectroscopy (XPS) and electron-energy-loss spectroscopy (EELS) on thin-film samples of different atomic density, obtained by a pulsed-laser deposition growth process. The XPS spectra are deconvoluted into two contributions, which are attributed to sp2- and sp3-hybridized atoms, respectively, separated by 0.9 eV, independent of atomic density. The sp3 hybridization content extracted from XPS is consistent with the atomic density derived from the plasmon energy in the EELS spectrum. In our theoretical study, we generate several periodic model structures of amorphous carbon of different densities applying two schemes of increasing accuracy in sequence. We first use a molecular-dynamics approach, based on an environmental-dependent tight-binding Hamiltonian to quench the systems from the liquid phase. The final model structures are then obtained by further atomic relaxation using a first-principles pseudopotential plane-wave approach within density-functional theory. Within the latter framework, we also calculate carbon 1s core-level shifts for our disordered model structures. We find that the shifts associated to threefold- and fourfold- coordinated carbon atoms give rise to two distinct peaks separated by about 1.0 eV, independent of density, in close agreement with experimental observations. This provides strong support for decomposing the XPS spectra into two peaks resulting from sp2- and sp3-hybridized atoms. Core-hole relaxations effects account for about 30% of the calculated shifts.
Poineau, Frederic; Hartmann, Thomas; Weck, Philippe F; Kim, Eunja; Silva, G W Chinthaka; Jarvinen, Gordon D; Czerwinski, Kenneth R
2010-02-15
The structural properties of Tc-Zr binary alloys were investigated using combined experimental and computational approaches. The Tc(2)Zr and Tc(6)Zr samples were characterized by X-ray diffraction analysis, scanning electron microscopy, electron probe microanalysis, and transmission electron microscopy. Our XRD results show that Tc(6)Zr crystallizes in the cubic alpha-Mn-type structure (I43m space group) with a variable stoichiometry of Tc(6.25-x)Zr (0 Tc(2)Zr has a hexagonal crystal lattice with a MgZn(2)-type structure (P6(3)/mmc space group). Rietveld analysis of the powder XRD patterns and density functional calculations of the "Tc(6)Zr" phase show a linear increase of the lattice parameter when moving from Tc(6.25)Zr to Tc(4..80)Zr compositions, similar to previous observations in the Re-Zr system. This variation of the composition of "Tc(6)Zr" is explained by the substitution of Zr for Tc atoms in the 2a site of the alpha-Mn-type structure. These results suggest that the width of the "Tc(6)Zr" phase needs to be included when constructing the Tc-Zr phase diagram. The bonding character and stability of the various Tc-Zr phases were also investigated from first principles. Calculations indicate that valence and conduction bands near the Fermi level are dominated by electrons occupying the 4d orbital. In particular, the highest-lying molecular orbitals of the valence band of Tc(2)Zr are composed of d-d sigma bonds, oriented along the normal axis of the (110) plane and linking the Zr network to the Tc framework. Strong d-d bonds stabilizing the Tc framework in the hexagonal unit cell are also in the valence band. In the cubic structures of Tc-Zr phases, only Tc 4d orbitals are found to significantly contribute near the Fermi level.
Ducher, Manoj; Blanchard, Marc; Vantelon, Delphine; Nemausat, Ruidy; Cabaret, Delphine
2016-03-01
We present experimental and calculated Al K-edge X-ray absorption near-edge structure (XANES) spectra of aluminous goethite with 10-33 mol% of AlOOH and diaspore. Significant changes are observed experimentally in the near- and pre-edge regions with increasing Al concentration in goethite. First-principles calculations based on density functional theory (DFT) reproduce successfully the experimental trends. This permits to identify the electronic and structural parameters controlling the spectral features and to improve our knowledge of the local environment of {Al}^{3+} in the goethite-diaspore partial solid solution. In the near-edge region, the larger peak spacing in diaspore compared to Al-bearing goethite is related to the nature (Fe or Al) of the first cation neighbours around the absorbing Al atom (Al*). The intensity ratio of the two near-edge peaks, which decreases with Al concentration, is correlated with the average distance of the first cations around Al* and the distortion of the {AlO}_6 octahedron. Finally, the decrease in intensity of the pre-edge features with increasing Al concentration is due to the smaller number of Fe atoms in the local environment of Al since Al atoms tend to cluster. In addition, it is found that the pre-edge features of the Al K-edge XANES spectra enable to probe indirectly empty 3 d states of Fe. Energetic, structural and spectroscopic results suggest that for Al concentrations around 10 mol%, Al atoms can be considered as isolated, whereas above 25 mol%, Al clusters are more likely to occur.
Martineau, Charlotte; Legein, Christophe; Body, Monique; Péron, Olivier; Boulard, Brigitte; Fayon, Franck
2013-03-01
α-LaZr2F11 has been synthesized by solid state reaction. Its crystal structure has been refined from X-ray powder diffraction data (space group no. 72 Ibam, a=7.785(1) Å, b=10.086(1) Å and c=11.102(1) Å). α-LaZr2F11 contains one La, one Zr and four F inequivalent crystallographic sites. F3 and F4 are shared between one ZrF73- polyhedron and one LaF85- polyhedron, while F1 and F2 bridge two ZrF73- polyhedra. 19F 1D MAS NMR spectra of α-LaZr2F11 are in agreement with the proposed structural model. Assignment of the 19F resonances to the corresponding crystallographic sites has been performed on the basis of both their relative intensities and their correlation patterns in a 19F 2D dipolar-based double-quantum recoupling MAS NMR spectrum. DFT calculations of the 19F chemical shielding tensors have been performed using the GIPAW method implemented in the NMR-CASTEP code, for the experimental structure and two PBE-DFT geometry optimized structures of α-LaZr2F11 (atomic position optimization and full geometry optimization with rescaling of the unit cell volume to the experimental value). Computations were done with and without using a modified La pseudopotential allowing the treatment of the 4f localized empty orbitals of La3+. A relatively nice agreement between the experimental 19F isotropic and anisotropic chemical shifts and the values calculated for the proposed structural model is obtained.
Propagation in Diagonal Anisotropic Chirowaveguides
S. Aib
2017-01-01
Full Text Available A theoretical study of electromagnetic wave propagation in parallel plate chirowaveguide is presented. The waveguide is filled with a chiral material having diagonal anisotropic constitutive parameters. The propagation characterization in this medium is based on algebraic formulation of Maxwell’s equations combined with the constitutive relations. Three propagation regions are identified: the fast-fast-wave region, the fast-slow-wave region, and the slow-slow-wave region. This paper focuses completely on the propagation in the first region, where the dispersion modal equations are obtained and solved. The cut-off frequencies calculation leads to three cases of the plane wave propagation in anisotropic chiral medium. The particularity of these results is the possibility of controlling the appropriate cut-off frequencies by choosing the adequate physical parameters values. The specificity of this study lies in the bifurcation modes confirmation and the possible contribution to the design of optical devices such as high-pass filters, as well as positive and negative propagation constants. This negative constant is an important feature of metamaterials which shows the phenomena of backward waves. Original results of the biaxial anisotropic chiral metamaterial are obtained and discussed.
Gamma-ray Output Spectra from 239Pu Fission
Ullmann John
2015-01-01
Full Text Available Gamma-ray multiplicities, individual gamma-ray energy spectra, and total gamma energy spectra following neutron-induced fission of 239Pu were measured using the DANCE detector at Los Alamos. Corrections for detector response were made using a forward-modeling technique based on propagating sets of gamma rays generated from a paramaterized model through a GEANT model of the DANCE array and adjusting the parameters for best fit to the measured spectra. The results for the gamma-ray spectrum and multiplicity are in general agreement with previous results, but the measured total gamma-ray energy is about 10% higher. A dependence of the gamma-ray spectrum on the gamma-ray multplicity was also observed. Global model calculations of the multiplicity and gamma energy distributions are in good agreement with the data, but predict a slightly softer total-energy distribution.
Three-dimensional polarization ray-tracing calculus II: retardance.
Yun, Garam; McClain, Stephen C; Chipman, Russell A
2011-06-20
The concept of retardance is critically analyzed for ray paths through optical systems described by a three-by-three polarization ray-tracing matrix. Algorithms are presented to separate the effects of retardance from geometric transformations. The geometric transformation described by a "parallel transport matrix" characterizes nonpolarizing propagation through an optical system, and also provides a proper relationship between sets of local coordinates along the ray path. The proper retardance is calculated by removing this geometric transformation from the three-by-three polarization ray-tracing matrix. Two rays with different ray paths through an optical system can have the same polarization ray-tracing matrix but different retardances. The retardance and diattenuation of an aluminum-coated three fold-mirror system are analyzed as an example.
Nonlinear and Dispersive Optical Pulse Propagation
Dijaili, Sol Peter
In this dissertation, there are basically four novel contributions to the field of picosecond pulse propagation and measurement. The first contribution is the temporal ABCD matrix which is an analog of the traditional ABCD ray matrices used in Gaussian beam propagation. The temporal ABCD matrix allows for the easy calculation of the effects of linear chirp or group velocity dispersion in the time domain. As with Gaussian beams in space, there also exists a complete Hermite-Gaussian basis in time whose propagation can be tracked with the temporal ABCD matrices. The second contribution is the timing synchronization between a colliding pulse mode-locked dye laser and a gain-switched Fabry-Perot type AlGaAs laser diode that has achieved less than 40 femtoseconds of relative timing jitter by using a pulsed optical phase lock loop (POPLL). The relative timing jitter was measured using the error voltage of the feedback loop. This method of measurement is accurate since the frequencies of all the timing fluctuations fall within the loop bandwidth. The novel element is a broad band optical cross-correlator that can resolve femtosecond time delay errors between two pulse trains. The third contribution is a novel dispersive technique of determining the nonlinear frequency sweep of a picosecond pulse with relatively good accuracy. All the measurements are made in the time domain and hence there is no time-bandwidth limitation to the accuracy. The fourth contribution is the first demonstration of cross -phase modulation in a semiconductor laser amplifier where a variable chirp was observed. A simple expression for the chirp imparted on a weak signal pulse by the action of a strong pump pulse is derived. A maximum frequency excursion of 16 GHz due to the cross-phase modulation was measured. A value of 5 was found for alpha _{xpm} which is a factor for characterizing the cross-phase modulation in a similar manner to the conventional linewidth enhancement factor, alpha.
L. Luquot
2015-11-01
Full Text Available The aim of this study is to compare the structural, geometrical and transport parameters of a limestone rock sample determined by X-ray microtomography (XMT images and laboratory experiments. Total and effective porosity, surface-to-volume ratio, pore size distribution, permeability, tortuosity and effective diffusion coefficient have been estimated. Sensitivity analyses of the segmentation parameters have been performed. The limestone rock sample studied here have been characterized using both approaches before and after a reactive percolation experiment. Strong dissolution process occured during the percolation, promoting a wormhole formation. This strong heterogeneity formed after the percolation step allows to apply our methodology to two different samples and enhance the use of experimental techniques or XMT images depending on the rock heterogeneity. We established that for most of the parameters calculated here, the values obtained by computing XMT images are in agreement with the classical laboratory measurements. We demonstrated that the computational porosity is more informative than the laboratory one. We observed that pore size distributions obtained by XMT images and laboratory experiments are slightly different but complementary. Regarding the effective diffusion coefficient, we concluded that both approaches are valuable and give similar results. Nevertheless, we wrapped up that computing XMT images to determine transport, geometrical and petrophysical parameters provides similar results than the one measured at the laboratory but with much shorter durations.
Li, Zhi-Jun; Zhan, Fei; Xiao, Hongyan; Zhang, Xiaoyi; Kong, Qing-Yu; Fan, Xiang-Bing; Liu, Wen-Qiang; Huang, Mao-Yong; Huang, Cheng; Gao, Yu-Ji; Li, Xu-Bing; Meng, Qing-Yuan; Feng, Ke; Chen, Bin; Tung, Chen-Ho; Zhao, Hai-Feng; Tao, Ye; Wu, Li-Zhu
2016-12-07
X-ray transient absorption spectroscopy (XTA) and optical transient spectroscopy (OTA) were used to probe the Co(I) intermediate generated in situ from an aqueous photocatalytic hydrogen evolution system, with [RuII(bpy)3]Cl2·6H2O as the photosensitizer, ascorbic acid/ascorbate as the electron donor, and the Co-polypyridyl complex ([CoII(DPABpy) Cl]Cl) as the pre-catalyst. Upon exposure to light, the XTA measured at Co K-edge visualizes the grow and decay of the Co(I) intermediate, and reveals its Co-N bond contraction of 0.09 ± 0.03 Å. Density functional theory (DFT) calculations support the bond contraction and illustrate that the metal-to-ligand π back-bonding greatly stabilizes the penta-coordinated Co(I) intermediate, which provides easy photon access. To the best of our knowledge, this is the first example of capturing the penta-coordinated Co(I) intermediate in operando with bond contraction by XTA, thereby providing new insights for fundamental understanding of structure– function relationship of cobalt-based molecular catalysts.
Brown, Thomas A D; Alvarez, Diane; Matthews, Kenneth L; Ham, Kyungmin; 10.1118/1.4761870
2012-01-01
Ion chamber dosimetry is being used to calibrate dose for cell irradiations designed to investigate photoactivated Auger electron therapy at the Louisiana State University CAMD synchrotron facility. This study performed a dosimetry intercomparison for synchrotron-produced monochromatic x-ray beams at 25 and 35 keV. Ion chamber depth-dose measurements in a PMMA phantom were compared with the product of MCNP5 Monte Carlo calculations of dose per fluence and measured incident fluence. Monochromatic beams of 25 and 35 keV were generated on the tomography beamline at CAMD. A cylindrical, air-equivalent ion chamber was used to measure the ionization created in a 10x10x10-cm3 PMMA phantom for depths from 0.6 to 7.7 cm. The American Association of Physicists in Medicine TG-61 protocol was applied to convert measured ionization into dose. Photon fluence was determined using a NaI detector to make scattering measurements of the beam from a thin polyethylene target at angles 30 degrees to 60 degrees. Differential Compto...
Layek, Samaresh; Agrahari, Bhumika; Tarafdar, Abhrajyoti; Kumari, Chanda; Anuradha; Ganguly, Rakesh; Pathak, Devendra D.
2017-08-01
Three new mononuclear square planar Ni(II) complexes, containing pincer type tridentate Schiff base ligands, having general formula [(NiL1(4-MePy)] (1), [(NiL1(2-AzNp)] (2), and [(NiL2(4-MePy)] (3) [where L1 = anion of N-(2-hydroxy-3-methoxybenzylidene) benzoylhydrazide (HL1), L2 = anion of N-(2-hydroxy-3-methoxybenzylidene) thiosemicarbazide (HL2), 4-MePy = 4-Methylpyridine and 2-AzNp = 2-Azanapthalene] have been synthesized and fully characterized by FT-IR, UV-visible, NMR, single crystal X-ray diffraction studies and elemental analysis. All the three complexes show square planar geometry around the nickel atom. The pincer type ligand occupies three coordination sites, while the fourth site is occupied by the monodentate nitrogen containing ligand. The Quantum chemical DFT calculations have also been carried out using DFT/B3LYP method and 6-311++G(d,p) basis set. The synthesized nickel complexes were screened for antimicrobial activities by agar well diffusion method against E. coli bacteria. Out of three complexes, [(NiL2(4-MePy)] (3) only showed the antimicrobial activity against E. coli bacteria.
Ghose, Sanjit K; Li, Yan; Yakovenko, Andrey; Dooryhee, Eric; Ehm, Lars; Ecker, Lynne E; Dippel, Ann-Christin; Halder, Gregory J; Strachan, Denis M; Thallapally, Praveen K
2015-05-21
Enhancement of adsorption capacity and separation of radioactive Xe/Kr at room temperature and above is a challenging problem. Here, we report a detailed structural refinement and analysis of the synchrotron X-ray powder diffraction data of Ni-DODBC metal organic framework with in situ Xe and Kr adsorption at room temperature and above. Our results reveal that Xe and Kr adsorb at the open metal sites, with adsorption geometries well reproduced by DFT calculations. The measured temperature-dependent adsorption capacity of Xe is substantially larger than that for Kr, indicating the selectivity of Xe over Kr and is consistent with the more negative adsorption energy (dominated by van der Waals dispersion interactions) predicted from DFT. Our results reveal critical structural and energetic information about host-guest interactions that dictate the selective adsorption mechanism of these two inert gases, providing guidance for the design and synthesis of new MOF materials for the separation of environmentally hazardous gases from nuclear reprocessing applications.
Mondal, Apurba Sau; Pramanik, Ajoy Kumar; Patra, Lakshman; Manna, Chandan Kumar; Mondal, Tapan Kumar
2017-10-01
A new zinc(II) complex, [Zn(L)(H2O)](ClO4) (1) with azo-thioether containing NSNO donor ligand, 3-(2-(2-((pyridin-2-ylmethyl)thio)phenyl)hydrazono)pentane-2,4-dione (HL) is synthesized and characterized by several spectroscopic techniques. The distorted square based pyramidal (DSBP) geometry is confirmed by single crystal X-ray structure. The ability of the complex to bind with CT DNA is investigated by UV-vis method and the binding constant is found to be 4.16 × 104 M-1. Competitive binding study with ethidium bromide (EB) by fluorescence method suggests that the zinc(II) complex efficiently displaces EB from EB-DNA. The Stern-Volmer dynamic quenching constant, Ksv is found to be 1.2 × 104 M-1. Theoretical calculations by DFT and TDDFT/CPCM methods are used to interpret the electronic structure and UV-vis spectrum of the complex.
Kanayama, K.; Li, X.; Baba, H.; Endo, N. [Kitami Institute of Technology, (Japan)
1997-11-25
In calculating heat balance of solar pond, calculation was made considering things except quality of the incident ray and physical properties of pond water which were conventionally considered. The real optical path length was determined from the reflection ratio of ray on the water surface based on the refraction ratio of pond water and the locus of water transmitted ray in order to calculate a total transmission rate. The rate of absorption of monochromatic lights composing of solar light in their going through the media is different by wavelength, and therefore, calculation was made in each monochromatic light. As to four kinds of salt water solution, NaCl, KCl, MgCl2 and CaCl2, these phenomena seen in solar pond are taken in, and a total transmission rate based on reality can be calculated by the wavelength integration method. Moreover, in the salt gradient layer, there are gradients in both concentration and temperature, and thermal physical values of each layer change. Accordingly, mass transfer and thermal transfer by both gradients were considered at the same time. An analytic solution was introduced which analyzes salt diffusion in the temperature field in the gradient layer and determines the concentration distribution. By these, concentration and physical values of each layer were calculated according to phenomena, and thermal balance of each layer of the solar pond was able to be accurately calculated. 6 refs., 5 figs., 2 tabs.
Imbeaux, F
1999-09-22
Control of the current density profile is a critical issue in view to obtain high fusion performances in tokamak plasmas? It is therefore important to be able to control the power deposition profile of the lower hybrid wave, which has the highest current drive efficiency among all other non-inductive additional methods. Propagation and absorption of this wave are investigated in the Tore Supra tokamak using a new hard x-ray tomographic system and a new ray-tracing/Fokker-Planck code. These tools are described in detail and allow to analyse the lower hybrid power deposition profile dependence as a function of various plasma parameters (density, magnetic field, current) and of the injected wave spectrum. A good agreement between the code and the measurements found when the central electron temperature is greater than about 3 keV, that is in regimes where the wave undergoes only a few reflections before being absorbed. The simulations are then used to interpret the experimental trends. The lower hybrid power deposition profile is in nearly all discharges localised at a normalised minor radius of 0.2-0.3, and is weakly sensitive to variations of plasma parameters. It is hence difficult to perform an efficient control of the current profile generated by the lower hybrid wave in Tore Supra. This goal may nevertheless be reached by using an original method, which uses an auxiliary lower hybrid wave injected by a vertical port of the torus. This method is investigated by means of the simulation code. (author)
Kon'kov, L. E.; Makarov, D. V.; Sosedko, E. V.; Uleysky, M. Yu.
2014-01-01
We consider sound wave propagation in a range-periodic acoustic waveguide in the deep ocean. It is demonstrated that vertical oscillations of a sound-speed perturbation, induced by ocean internal waves, influence near-axial rays in a resonant way, producing ray chaos and forming a wide chaotic sea in the underlying phase space. We study interplay between chaotic ray dynamics and wave motion with signal frequencies of 50-100 Hz. The Floquet modes of the waveguide are calculated and visualized ...
The TeV-scale cosmic ray proton and helium spectra: Contributions from the local sources
Yong-Yeon Keum; Pierre Salati
2016-02-01
Recent measurements of cosmic ray proton and helium spectra show a hardening above a few hundreds of GeV. This excess is hard to understand in the framework of the conventional models of galactic cosmic ray production and propagation. Here, we propose to explain this anomaly by the presence of local sources. Cosmic ray propagation is described as a diffusion process taking place inside a two-zone magnetic halo. We calculate the proton and helium fluxes at the Earth between 50 GeV and 100 TeV. Improving over a similar analysis, we consistently derive these fluxes by taking into account both local and remote sources for which a unique injection rate is assumed. We find cosmic ray propagation parameters for which the proton and helium spectra remarkably agree with the PAMELA and CREAM measurements over four decades in energy.
No More Anomaly in the TeV Cosmic Ray Proton and Helium Spectra
Bernard, Guilhem; Keum, Yong-Yeon; Liu, Wei; Salati, Pierre; Taillet, Richard
2013-01-01
Recent measurements of cosmic ray proton and helium spectra show a hardening above a few hundreds of GeV. This excess is hard to understand in the framework of the conventional models of Galactic cosmic ray production and propagation. We propose here to explain this anomaly by the presence of local sources. Cosmic ray propagation is described as a diffusion process taking place inside a two-zone magnetic halo. We calculate the proton and helium fluxes at the Earth between 50 GeV and 100 TeV. Improving over a similar analysis, we consistently derive these fluxes by taking into account both local and remote sources for which a unique injection rate is assumed. We find cosmic ray propagation parameters for which the proton and helium spectra remarkably agree with the PAMELA and CREAM measurements over four decades in energy.
Webber, W R
2015-01-01
Uncertainties in the Voyager data itself as well as the cross sections for production of these secondaries at these low energies are an important limitation on the estimates of the amount of matter traversed. We also attempt a fit to the B observations at low energies by considering a source component of B generated in 1.0 g/cm2 of matter near the sources but after acceleration. This would be equivalent to a Nested LBM. In this model the V1 data below 40 MeV/nuc is now well fit. For Nitrogen, which is dominated by a source component at these low energies, a fit to the data between 10-130 MeV/nuc can be obtained with a N/O source ratio = 6.3 + 1.0% and a path length compatible with the H and He propagation as noted above. This Voyager observation confirms earlier measurements of a low N abundance in the cosmic ray source relative to what is found for solar abundances, for example, where the N/O ratio is found to be ~12%.
Propagator for the double delta potential
Cacciari, Ilaria [Istituto di Fisica Applicata ' Nello Carrara' , CNR, via Madonna del Piano 10, 50019 Sesto Fiorentino, Florence (Italy); Moretti, Paolo [Istituto dei Sistemi Complessi, CNR, Sezione di Firenze, via Madonna del Piano 10, 50019 Sesto Fiorentino, Florence (Italy)]. E-mail: paolo.moretti@isc.cnr.it
2006-12-04
The propagator for the double delta potential is calculated starting from the integral form of the Schroedinger equation. A compact expression of its Laplace transform is found, that can be explicitly inverted in some limiting cases.
Lucena, Rodrigo F.; Potiens, Maria da Penha A., E-mail: rodrigoifusp@yahoo.com.b [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)
2011-12-15
The objective of this work was to analyze the behavior of X-ray spectra by calculating the average energy in each spectrum generated for different additional filtrations inserted in the X-ray beam. It was used an X-ray system present in the Laboratory of Instruments Calibration of the Instituto de Pesquisas Energeticas e Nucleares (IPEN) for the generation of X-ray beams, a spectrometry system with a solid state detector (semiconductor) to the data acquisition and aluminum and copper filters, with different thicknesses to be inserted in the output of the X-ray tube. The average energy per photon was calculated integrating the curve of each spectrum and dividing the value by the total number of counts. This calculation enabled to verify that the use of filtration in the X-ray equipment contributes significantly in the average energy of the X-ray beam. Thus, the same dose received by a patient or recorded by a detector has distinct average energies due to the use of filtrations with different materials and thicknesses, which allows the manipulation of X-ray beam through additional filtration. (author)
Propagation engineering in radio links design
Ghasemi, Abdollah; Ghasemi, Farshid
2013-01-01
Propagation Engineering in Radio Link Design covers the basic principles of radiowaves propagation in a practical manner. This fundamental understanding enables the readers to design radio links efficiently. This book elaborates on new achievements as well as recently developed propagation models. This is in addition to a comprehensive overview of fundamentals of propagation in various scenarios. It examines theoretical calculations, approaches and applied procedures needed for radio links design. The authors study and analysis of the main propagation phenomena and its mechanisms based on the recommendations of International Telecommunications Union, (ITU). The book has been organized in 9 chapters and examines the role of antennas and passive reflectors in radio services, propagation mechanisms related to radar, satellite, short distance, broadcasting and trans-horizon radio links, with two chapters devoted to radio noise and main parameters of radio link design. The book presents some 278 illustration...
The FLIC Overlap Quark Propagator
Kamleh, W; Leinweber, D B; Williams, A G; Zhang, J; Kamleh, Waseem; Bowman, Patrick O.; Leinweber, Derek B.; Williams, Anthony G.; Zhang, Jianbo
2004-01-01
FLIC overlap fermions are a variant of the standard (Wilson) overlap action, with the FLIC (Fat Link Irrelevant Clover) action as the overlap kernel rather than the Wilson action. The structure of the FLIC overlap fermion propagator in momentum space is studied, and a comparison against previous studies of the Wilson overlap propagator in quenched QCD is performed. To explore the scaling properties of the propagator for the two actions, numerical calculations are performed in Landau Gauge across three lattices with different lattice spacing $a$ and similar physical volumes. We find that at light quark masses the acti ons agree in both the infrared and the ultraviolet, but at heavier masses some disagreement in the ultraviolet appears. This is attributed to the two action s having different discretisation errors with the FLIC overlap providing superior performance in this regime. Both actions scale reasonably, but some scaling violations are observed.
Krakau, S.; Schlickeiser, R., E-mail: steffen.krakau@rub.de, E-mail: rsch@tp4.rub.de [Institut für Theoretische Physik, Lehrstuhl IV: Weltraum- und Astrophysik, Ruhr-Universität Bochum, D-44780 Bochum (Germany)
2016-02-20
The linear instability of an ultrarelativistic hadron beam in the unmagnetized intergalactic medium (IGM) is investigated with respect to the excitation of parallel electrostatic and electromagnetic fluctuations. This analysis is important for the propagation of extragalactic ultrarelativistic cosmic rays from their distant sources to Earth. As opposed to the previous paper, we calculate the minimum instability growth time for Lorentz-distributed cosmic rays which traverse the hot IGM. The growth times are orders of magnitude higher than the cosmic-ray propagation time in the IGM. Since the backreaction of the generated plasma fluctuations (plateauing) lasts longer than the propagation time, the cosmic-ray hadron beam can propagate to the Earth without losing a significant amount of energy to electrostatic turbulence.
Stephens, Kelly I.; Rubinsztain, Leon; Payan, John; Rentsch, Chris; Rimland, David; Tangpricha, Vin
2017-01-01
Objective We evaluated the utility of the World Health Organization Fracture Risk Assessment Tool (FRAX) in assessing fracture risk in patients with human immunodeficiency virus (HIV) and vitamin D deficiency. Methods This was a retrospective study of HIV-infected patients with co-existing vitamin D deficiency at the Atlanta Veterans Affairs Medical Center. Bone mineral density (BMD) was assessed by dual-energy X-ray absorptiometry (DEXA), and the 10-year fracture risk was calculated by the WHO FRAX algorithm. Two independent radiologists reviewed lateral chest radiographs for the presence of subclinical vertebral fractures. Results We identified 232 patients with HIV and vitamin D deficiency. Overall, 15.5% of patients met diagnostic criteria for osteoporosis on DEXA, and 58% had low BMD (T-score between −1 and −2.5). The median risk of any major osteoporotic and hip fracture by FRAX score was 1.45 and 0.10%, respectively. Subclinical vertebral fractures were detected in 46.6% of patients. Compared to those without fractures, those with fractures had similar prevalence of osteoporosis (15.3% versus 15.7%; P>.999), low BMD (53.2% versus 59.3%; P = .419), and similar FRAX hip scores (0.10% versus 0.10%; P = .412). While the FRAX major score was lower in the nonfracture group versus fracture group (1.30% versus 1.60%; P = .025), this was not clinically significant. Conclusion We found a high prevalence of subclinical vertebral fractures among vitamin D–deficient HIV patients; however, DEXA and FRAX failed to predict those with fractures. Our results suggest that traditional screening tools for fragility fractures may not be applicable to this high-risk patient population. PMID:26684149
Stephens, Kelly I; Rubinsztain, Leon; Payan, John; Rentsch, Chris; Rimland, David; Tangpricha, Vin
2016-04-01
We evaluated the utility of the World Health Organization (WHO) Fracture Risk Assessment Tool (FRAX) in assessing fracture risk in patients with human immunodeficiency virus (HIV) and vitamin D deficiency. This was a retrospective study of HIV-infected patients with co-existing vitamin D deficiency at the Atlanta Veterans Affairs Medical Center. Bone mineral density (BMD) was assessed by dual-energy X-ray absorptiometry (DEXA), and the 10-year fracture risk was calculated by the WHO FRAX algorithm. Two independent radiologists reviewed lateral chest radiographs for the presence of subclinical vertebral fractures. We identified 232 patients with HIV and vitamin D deficiency. Overall, 15.5% of patients met diagnostic criteria for osteoporosis on DEXA, and 58% had low BMD (T-score between -1 and -2.5). The median risk of any major osteoporotic and hip fracture by FRAX score was 1.45 and 0.10%, respectively. Subclinical vertebral fractures were detected in 46.6% of patients. Compared to those without fractures, those with fractures had similar prevalence of osteoporosis (15.3% versus 15.7%; P>.999), low BMD (53.2% versus 59.3%; P = .419), and similar FRAX hip scores (0.10% versus 0.10%; P = .412). While the FRAX major score was lower in the nonfracture group versus fracture group (1.30% versus 1.60%; P = .025), this was not clinically significant. We found a high prevalence of subclinical vertebral fractures among vitamin D-deficient HIV patients; however, DEXA and FRAX failed to predict those with fractures. Our results suggest that traditional screening tools for fragility fractures may not be applicable to this high-risk patient population.
LIKEDM: Likelihood calculator of dark matter detection
Huang, Xiaoyuan; Tsai, Yue-Lin Sming; Yuan, Qiang
2017-04-01
With the large progress in searches for dark matter (DM) particles with indirect and direct methods, we develop a numerical tool that enables fast calculations of the likelihoods of specified DM particle models given a number of observational data, such as charged cosmic rays from space-borne experiments (e.g., PAMELA, AMS-02), γ-rays from the Fermi space telescope, and underground direct detection experiments. The purpose of this tool - LIKEDM, likelihood calculator for dark matter detection - is to bridge the gap between a particle model of DM and the observational data. The intermediate steps between these two, including the astrophysical backgrounds, the propagation of charged particles, the analysis of Fermi γ-ray data, as well as the DM velocity distribution and the nuclear form factor, have been dealt with in the code. We release the first version (v1.0) focusing on the constraints from indirect detection of DM with charged cosmic and gamma rays. Direct detection will be implemented in the next version. This manual describes the framework, usage, and related physics of the code.
S. Roling
2014-11-01
Full Text Available For the European x-ray free electron laser (XFEL a split-and-delay unit based on geometrical wavefront beam splitting and multilayer mirrors is built which covers the range of photon energies from 5 keV up to 20 keV. Maximum delays between Δτ=±2.5 ps at hν=20 keV and up to Δτ=±23 ps at hν=5 keV will be possible. Time-dependent wave-optics simulations have been performed by means of Synchrotron Radiation Workshop software for XFEL pulses at hν=5 keV. The XFEL radiation was simulated using results of time-dependent simulations applying the self-amplified spontaneous emission code FAST. Main features of the optical layout, including diffraction on the beam splitter edge and optics imperfections measured with a nanometer optic component measuring machine slope measuring profiler, were taken into account. The impact of these effects on the characterization of the temporal properties of XFEL pulses is analyzed. An approach based on fast Fourier transformation allows for the evaluation of the temporal coherence despite large wavefront distortions caused by the optics imperfections. In this way, the fringes resulting from time-dependent two-beam interference can be filtered and evaluated yielding a coherence time of τ_{c}=0.187 fs (HWHM for real, nonperfect mirrors, while for ideal mirrors a coherence time of τ_{c}=0.191 fs (HWHM is expected.
Comic ray flux anisotropies caused by astrospheres
Scherer, K; Ferreira, S E S; Fichtner, H
2016-01-01
Huge astrospheres or stellar wind bubbles influence the propagation of cosmic rays at energies up to the TeV range and can act as small-scale sinks decreasing the cosmic ray flux. We model such a sink (in 2D) by a sphere of radius 10\\,pc embedded within a sphere of a radius of 1\\,kpc. The cosmic ray flux is calculated by means of backward stochastic differential equations from an observer, which is located at $r_{0}$, to the outer boundary. It turns out that such small-scale sinks can influence the cosmic ray flux at the observer's location by a few permille (i.e\\ a few 0.1\\%), which is in the range of the observations by IceCube, Milagro and other large area telescopes.
Comic ray flux anisotropies caused by astrospheres
Scherer, K.; Strauss, R. D.; Ferreira, S. E. S.; Fichtner, H.
2016-09-01
Huge astrospheres or stellar wind bubbles influence the propagation of cosmic rays at energies up to the TeV range and can act as small-scale sinks decreasing the cosmic ray flux. We model such a sink (in 2D) by a sphere of radius 10 pc embedded within a sphere of a radius of 1 kpc. The cosmic ray flux is calculated by means of backward stochastic differential equations from an observer, which is located at r0, to the outer boundary. It turns out that such small-scale sinks can influence the cosmic ray flux at the observer's location by a few permille (i.e. a few 0.1%), which is in the range of the observations by IceCube, Milagro and other large area telescopes.
Chubar, Oleg; Berman, Lonny; Chu, Yong S.; Fluerasu, Andrei; Hulbert, Steve; Idir, Mourad; Kaznatcheev, Konstantine; Shapiro, David; Shen, Qun; Baltser, Jana
2011-09-01
Partially-coherent wavefront propagation calculations have proven to be feasible and very beneficial in the design of beamlines for 3rd and 4th generation Synchrotron Radiation (SR) sources. These types of calculations use the framework of classical electrodynamics for the description, on the same accuracy level, of the emission by relativistic electrons moving in magnetic fields of accelerators, and the propagation of the emitted radiation wavefronts through beamline optical elements. This enables accurate prediction of performance characteristics for beamlines exploiting high SR brightness and/or high spectral flux. Detailed analysis of radiation degree of coherence, offered by the partially-coherent wavefront propagation method, is of paramount importance for modern storage-ring based SR sources, which, thanks to extremely small sub-nanometer-level electron beam emittances, produce substantial portions of coherent flux in X-ray spectral range. We describe the general approach to partially-coherent SR wavefront propagation simulations and present examples of such simulations performed using "Synchrotron Radiation Workshop" (SRW) code for the parameters of hard X-ray undulator based beamlines at the National Synchrotron Light Source II (NSLS-II), Brookhaven National Laboratory. These examples illustrate general characteristics of partially-coherent undulator radiation beams in low-emittance SR sources, and demonstrate advantages of applying high-accuracy physical-optics simulations to the optimization and performance prediction of X-ray optical beamlines in these new sources.
The relativistic feedback discharge model of terrestrial gamma ray flashes
Dwyer, Joseph R.
2012-02-01
As thunderclouds charge, the large-scale fields may approach the relativistic feedback threshold, above which the production of relativistic runaway electron avalanches becomes self-sustaining through the generation of backward propagating runaway positrons and backscattered X-rays. Positive intracloud (IC) lightning may force the large-scale electric fields inside thunderclouds above the relativistic feedback threshold, causing the number of runaway electrons, and the resulting X-ray and gamma ray emission, to grow exponentially, producing very large fluxes of energetic radiation. As the flux of runaway electrons increases, ionization eventually causes the electric field to discharge, bringing the field below the relativistic feedback threshold again and reducing the flux of runaway electrons. These processes are investigated with a new model that includes the production, propagation, diffusion, and avalanche multiplication of runaway electrons; the production and propagation of X-rays and gamma rays; and the production, propagation, and annihilation of runaway positrons. In this model, referred to as the relativistic feedback discharge model, the large-scale electric fields are calculated self-consistently from the charge motion of the drifting low-energy electrons and ions, produced from the ionization of air by the runaway electrons, including two- and three-body attachment and recombination. Simulation results show that when relativistic feedback is considered, bright gamma ray flashes are a natural consequence of upward +IC lightning propagating in large-scale thundercloud fields. Furthermore, these flashes have the same time structures, including both single and multiple pulses, intensities, angular distributions, current moments, and energy spectra as terrestrial gamma ray flashes, and produce large current moments that should be observable in radio waves.
Nijhof, Marten Jozef Johannes
2010-01-01
In this work, the accuracy, efficiency and range of applicability of various (approximate) models for viscothermal wave propagation are investigated. Models for viscothermal wave propagation describe thewave behavior of fluids including viscous and thermal effects. Cases where viscothermal effects a
A sonic boom propagation model including mean flow atmospheric effects
Salamone, Joe; Sparrow, Victor W.
2012-09-01
This paper presents a time domain formulation of nonlinear lossy propagation in onedimension that also includes the effects of non-collinear mean flow in the acoustic medium. The model equation utilized is an augmented Burgers equation that includes the effects of nonlinearity, geometric spreading, atmospheric stratification, and also absorption and dispersion due to thermoviscous and molecular relaxation effects. All elements of the propagation are implemented in the time domain and the effects of non-collinear mean flow are accounted for in each term of the model equation. Previous authors have presented methods limited to showing the effects of wind on ray tracing and/or using an effective speed of sound in their model equation. The present work includes the effects of mean flow for all terms included in the augmented Burgers equation with all of the calculations performed in the time-domain. The capability to include the effects of mean flow in the acoustic medium allows one to make predictions more representative of real-world atmospheric conditions. Examples are presented for nonlinear propagation of N-waves and shaped sonic booms. [Work supported by Gulfstream Aerospace Corporation.
A Nuclear Polariton with Two Entangled Counter-Propagating Branches
Liao, Wen-Te
2014-01-01
A setup for generating the special superposition of a simultaneously forward- and backward-propagating collective excitation in a nuclear sample is studied. We show that by actively manipulating the scattering channels of single x-ray quanta with the help of a normal incidence x-ray mirror, a nuclear polariton which propagates in two opposite directions can be generated. The two counter-propagating polariton branches are entangled by a single x-ray photon. The quantum nature of the nuclear excitation entanglement gives rise to a sub-angstrom wavelength standing wave excitation pattern that can be used as a flexible tool to probe matter dynamically on the atomic scale.
Fujimoto, M.; Ashida, Y.; Watanabe, T.; Sassa, K. [Kyoto University, Kyoto (Japan)
1996-10-01
This paper describes the seismic tomography analysis of underground structures using finite differential calculation (FDC) and a reciprocal principle which points out that a propagation path is constant even if a source and receiver are exchanged with each other. Tomography analysis generally determines a ray length across each underground cell structure by ray tracing method to modify each cell slowness (inverse of velocity). Travel time field was determined by FDC of eikonal equation among ray tracing methods, and a wave propagation path was determined by reciprocity of elastic wave to carry out inversion. In conventional methods, since a wave length is assumed to be infinitesimal by ray theory, false modified slowness structures frequently appears depending on the density of a ray. Wave propagates in a certain width, and is affected by environment. The slowness was thus modified on the basis of the wave propagation path with a certain width by using not ray-tracing but reciprocity. By this modification, false structures were hardly found under a fine grid, and several propagation paths could be considered. 6 refs., 9 figs.
Schulte, Christian
2008-01-01
When implementing a propagator for a constraint, one must decide about variants: When implementing min, should one also implement max? Should one implement linear equations both with and without coefficients? Constraint variants are ubiquitous: implementing them requires considerable (if not prohibitive) effort and decreases maintainability, but will deliver better performance. This paper shows how to use variable views, previously introduced for an implementation architecture, to derive perfect propagator variants. A model for views and derived propagators is introduced. Derived propagators are proved to be indeed perfect in that they inherit essential properties such as correctness and domain and bounds consistency. Techniques for systematically deriving propagators such as transformation, generalization, specialization, and channeling are developed for several variable domains. We evaluate the massive impact of derived propagators. Without derived propagators, Gecode would require 140000 rather than 40000 ...
An upper limit on the cosmic-ray luminosity of individual sources from gamma-ray observations
Supanitsky, A.D. [Instituto de Astronomía y Física del Espacio (IAFE), CONICET-UBA (Argentina); Souza, V. de, E-mail: supanitsky@iafe.uba.ar, E-mail: vitor@ifsc.usp.br [Instituto de Física de São Carlos, Universidade de São Paulo (Brazil)
2013-12-01
Different types of extragalactic objects are known to produce TeV gamma-rays. Some of these objects are the most probable candidates to accelerate cosmic rays up to 10{sup 20} eV. It is very well known that gamma-rays can be produced as a result of the cosmic ray propagation through the intergalactic medium. These gamma-rays contribute to the total flux observed in the direction of the source. In this paper we propose a new method to derive an upper limit on the cosmic-ray luminosity of an individual source based on the measured upper limit on the integral flux of GeV-TeV gamma-rays. We show how it is possible to calculate an upper limit on the cosmic-ray luminosity of a particular source and we explore the parameter space in which the current GeV-TeV gamma-ray measurements can offer a useful determination. We study in detail two particular sources, Pictor A and NGC 7469, and we calculate the upper limit on the proton luminosity of each source based on the upper limit on the integral gamma-ray flux measured by the H.E.S.S. telescopes.
Theoretical tools for atom-laser-beam propagation
Riou, Jean-Félix; Le Coq, Yann; Impens, François; Guerin, William; Bordé, Christian,; Aspect, Alain; Bouyer, Philippe
2008-01-01
We present a theoretical model for the propagation of non self-interacting atom laser beams. We start from a general propagation integral equation, and we use the same approximations as in photon optics to derive tools to calculate the atom laser beam propagation. We discuss the approximations that allow to reduce the general equation whether to a Fresnel-Kirchhoff integral calculated by using the stationary phase method, or to the eikonal. Within the paraxial approximation, we also introduce...
Uncertainty propagation with functionally correlated quantities
Giordano, Mosè
2016-01-01
Many uncertainty propagation software exist, written in different programming languages, but not all of them are able to handle functional correlation between quantities. In this paper we review one strategy to deal with uncertainty propagation of quantities that are functionally correlated, and introduce a new software offering this feature: the Julia package Measurements.jl. It supports real and complex numbers with uncertainty, arbitrary-precision calculations, mathematical and linear algebra operations with matrices and arrays.
Beam-propagation method - Analysis and assessment
van Roey, J.; van der Donk, J.; Lagasse, P. E.
1981-07-01
A method for the calculation of the propagation of a light beam through an inhomogeneous medium is presented. A theoretical analysis of this beam-propagation method is given, and a set of conditions necessary for the accurate application of the method is derived. The method is illustrated by the study of a number of integrated-optic structures, such as thin-film waveguides and gratings.
Optical system defect propagation in ABCD systems
McKinley, W.G.; Yura, H.T.; Hanson, Steen Grüner
1988-01-01
We describe how optical system defects (tilt/jitter, decenter, and despace) propagate through an arbitrary paraxial optical system that can be described by an ABCD ray transfer matrix. A pedagogical example is given that demonstrates the effect of alignment errors on a typical optical system....... © 1988 Optical Society of America...
Measuring Gravitational-Wave Propagation Speed with Multimessenger Observations
Nishizawa, Atsushi; Nakamura, Takashi
2016-01-01
A measurement of gravitational wave (GW) propagation speed is one of important tests of gravity in a dynamical regime. We report a method to measure the GW propagation speed by directly comparing arrival times of GWs, neutrinos from supernovae (SN), and photons from short gamma-ray bursts (SGRB). We found that the future multimessenger observations can test the GW propagation speed with the precision of ~ 10^(-16)-10^(-15), improving the previous suggestions by 9 — 10 orders of magnitude. We ...
Dixit, Anant; Alouani, M.
2016-10-01
X-ray absorption and X-ray magnetic circular dichroism (XMCD) are very powerful tools for probing the orbital and spin moments of each atomic species orbital of magnetic materials. In this work, we present the implementation of a module for computing the X-ray absorption and XMCD spectra into the VASP code. We provide a derivation of the absorption cross-section in the electric dipole approximation. The matrix elements, which make up the X-ray absorption cross-section for a given polarization of light, are then computed using either the momentum operator p or the position operator r, within the projector augmented wave method. The core electrons are described using the relativistic basis-set whereas for the valence electrons, the spin-orbit coupling is added perturbatively to the semi-relativistic Hamiltonian. We show that both the p and the r implementations lead to the same results. The results for the K-edge and L23-edges of bcc-iron are then computed and compared to experiment.
Bollini, C. G.; Rocca, M. C.
1998-01-01
We study the half advanced and half retarded Wheeler Green function and its relation to Feynman propagators. First for massless equation. Then, for Klein-Gordon equations with arbitrary mass parameters; real, imaginary or complex. In all cases the Wheeler propagator lacks an on-shell free propagation. The Wheeler function has support inside the light-cone (whatever the mass). The associated vacuum is symmetric with respect to annihilation and creation operators. We show with some examples tha...
Range Information Propagation Transform
陈向荣; 朱志刚; 等
1998-01-01
A novel method of model-based object recognition is presented in this paper.Its novelty stems from the fact that the gray level image captured by a camera is merged with sparse range information in an active manner.By using a projective transform, which is determined by the sparse range data,festures(e.g.edge points)related to a single planar surface patch of figure in the scene can be assignew with their corresponding range values respectively.As a result,the shape of the very planar patch or figure can be recovered and various kinds of description in the Euclidean space can be calculated.Based on these descriptions values,the hypothesis about the identification of the object and its pose in space can be obtained with a high probability of success,and a high efficiency of hypothesis-verification process can be expected.Another advantage of this method is that the edge detection process can be navigated to the proper location hinted by the sparse range image.In consequence edge features can be extracted even in the regions with low contrast.In this paper the principle of range information propagation transform(RIPT)is explained,and some implementation issues,such as the algorithms using calibrated or uncalibrated gray level image for object recognition,are discussed.The preliminary experimental results are presented to indicate the effectiveness and efficiency of the proposed method.
Tiecher, Maria Ester S.; Pereira, Leslie; Dias, Simone K. [Instituto de Radioprotecao e Dosimetria (IRD), Rio de Janeiro, RJ (Brazil)]. E-mail: mester@ird.gov.br; leslie@ird.gov.br; simone@ird.gov.br
2005-07-01
This work was developed to evaluate the percentage of difference between the measured and calculated ripple in order to show up the necessity of calibration of kVp measuring instruments. To reduce this difference is very important since this can lead to a bad image quality and a high dose. The objective of the work is to demonstrate the necessity of calibration of non-invasive kV measuring instruments since the image quality is directly related to the dose and to the voltage potential applied to the x ray tube. X ray equipment can have the following systems for producing high voltage: tri-phase, constant potential (high frequency) and single-phase. In all of those systems there is a factor called ripple, which is the difference between the highest and lowest value of the kV during the exposure time. This factor is very important mainly for calibration purposes. A comparison between the ripple measured with an invasive meter and the calculated one. The data for calculating the ripple were obtained with a non-invasive instrument. The tests were done in a high frequency x-ray system model Pulsar Plus manufactured by VMI. For the data acquisition a program developed using the LabView software was applied. Lately the data were processed using an Excel spreadsheet. The equipment applied in this work were a Dynalyser III from Radcal Corporation and a 4000M+ from Victoreen. Some National standards like the 453 Health Minister regulation [1] and international recommendations like IEC 61627 [2] define the checking tests for kVp [3]. The same recommendation indicates a ripple percentage lower than 10% for a tri-phase or high frequency x ray machines. If the instrument present a value higher it need to be repaired and cannot be applied for calibration purposes. Meanwhile the ripples measured in this work were higher than this value. (au0010th.
Webber, W R
2015-01-01
In this paper we fit the observed galactic cosmic ray electron spectrum from a few MeV to 1 TeV. New data from Voyager from 5-60 MeV beyond the heliopause is used along with high energy data from the PAMELA, FERMI and AMS-2 instruments in Earth orbit. Using a Monte Carlo diffusion model for galactic propagation we obtain a source rigidity spectrum with a spectral index =-2.25 independent of energy below 10 GeV, possibly steepening above 10 GeV to 2.40 at the highest energies. This spectrum will fit the electron data over 5 orders of magnitude to within + 10% at both low and high energies. This steepening of the electron source spectrum could be an important feature of the acceleration process, e.g., synchrotron loss during acceleration could steepen the source spectrum. This fit requires only a single break in the rigidity dependence of the diffusion coefficient by ~1.0 power in the exponent at about 1.0 GV. The calculations also predict the distribution of electrons perpendicular to the galactic disk. The ga...
Siskos, Michael G; Choudhary, M Iqbal; Gerothanassis, Ioannis P
2017-03-07
The exact knowledge of hydrogen atomic positions of O-H···O hydrogen bonds in solution and in the solid state has been a major challenge in structural and physical organic chemistry. The objective of this review article is to summarize recent developments in the refinement of labile hydrogen positions with the use of: (i) density functional theory (DFT) calculations after a structure has been determined by X-ray from single crystals or from powders; (ii) ¹H-NMR chemical shifts as constraints in DFT calculations, and (iii) use of root-mean-square deviation between experimentally determined and DFT calculated ¹H-NMR chemical shifts considering the great sensitivity of ¹H-NMR shielding to hydrogen bonding properties.
Analysis of ray stability and caustic formation in a layered moving fluid medium
Bergman, David R
2015-01-01
Caustic formation occurs within a ray skeleton as optical or acoustic fields propagate in a medium with variable refractive properties and are unphysical, their presence being an artifact of the ray approximation of the field, and methods of correcting the field near a caustic are well known. Differential geometry provides a novel approach to calculating acoustic intensity, assessing ray stability and locating caustics in acoustic ray traces when the properties of medium are completely arbitrary by identifying points on the caustic with conjugate points along various rays. The method of geodesic deviation is applied to the problem of determining ray stability and locating caustics in 2-dimensional acoustic ray traces in a layered moving medium. Specifically, a general treatment of caustic formation in sound ducts and in piecewise continuous media is presented and applied to various idealized and realistic scenarios.
Chubar, Oleg, E-mail: chubar@bnl.gov; Chu, Yong S.; Huang, Xiaojing; Kalbfleisch, Sebastian; Yan, Hanfei; Shaftan, Timur; Wang, Guimei; Cai, Yong Q.; Suvorov, Alexey; Fluerasu, Andrei; Wiegart, Lutz; Chen-Wiegart, Yu-chen Karen; Thieme, Juergen; Williams, Garth; Idir, Mourad; Tanabe, Toshiya; Zschack, Paul; Shen, Qun [National Synchrotron Light Source II, Brookhaven National Laboratory, Upton, NY 11973 (United States)
2016-07-27
Commissioning of the first X-ray beamlines of NSLS-II included detailed measurements of spectral and spatial distributions of the radiation at different locations of the beamlines, from front-ends to sample positions. Comparison of some of these measurement results with high-accuracy calculations of synchrotron (undulator) emission and wavefront propagation through X-ray transport optics, performed using SRW code, is presented.
El-khatib, Ahmed M; Badawi, Mohamed S. [Physics Department, Faculty of Science, Alexandria University, Alexandria (Egypt); Thabet, Abouzeid A. [Dept. of Medical Equipment Technology, Pharos University, Alexandria (Egypt); Elazher, Mohamd A. [Arab Academy for Science, Technology and Maritime Transport, Alexandria (Egypt); Salem, Bohaysa A. [Basic Science Department, Faculty of Physical Therapy, Pharos University, Alexandria (Egypt)
2014-04-15
The present work used the efficiency transfer method used to calculate the full energy peak efficiency (FEPE) curves of the ({sup 2} x {sup 2} and {sup 3} x {sup 3}) NaI (Tl) detectors based on the effective solid angle subtended between the source and the detector. The study covered the effect of the self attenuation coefficient of the source matrix (with a radius greater than the detector's radius) on the detector efficiency. {sup 152}An Eu aqueous radioactive source covering the energy range from 121.78 keV up to 1408.01 keV was used. In this study an empirical formula was deduced to calculate the difference between the measured and the calculated efficiencies [without self attenuation] at low and high energy regions. A proper balance between the measured and calculated efficiencies [with self attenuation] was achieved with discrepancies less than 3%, while reaching 39% for calculating values [without self attenuation] due to working with large sources, or for low photon energies.
AHMED. M. EL-KHATIB
2014-04-01
Full Text Available The present work used the efficiency transfer method used to calculate the full energy peak efficiency (FEPE curves of the (2“*2” & 3“*3” NaI (Tl detectors based on the effective solid angle subtended between the source and the detector. The study covered the effect of the self attenuation coefficient of the source matrix (with a radius greater than the detector's radius on the detector efficiency. 152 An Eu aqueous radioactive source covering the energy range from 121.78 keV up to 1408.01 keV was used. In this study an empirical formula was deduced to calculate the difference between the measured and the calculated efficiencies [without self attenuation] at low and high energy regions. A proper balance between the measured and calculated efficiencies [with self attenuation] was achieved with discrepancies less than 3%, while reaching 39% for calculating values [without self attenuation] due to working with large sources, or for low photon energies.
Webber, W R
2010-01-01
Using new calculations of 10Be production in the Earths atmosphere which are based on direct measurements of the 11-year solar modulation effects on galactic cosmic rays and spacecraft measurements of the cosmic ray energy spectrum, we have calculated the yearly average production of 10Be in the Earths atmosphere by galactic and solar cosmic rays since 1939. During the last six 11-year cycles the average amplitude of these production changes is 36%. These predictions are compared with measurements of 10Be concentration in polar ice cores in both the Northern and Southern hemisphere over the same time period. We find a large scatter between the predicted and measured yearly average data sets and a low cross correlation ~0.30. Also the normalized regression line slope between 10Be production changes and 10Be concentration changes is found to be only 0.4-0.6; much less than the value of 1.0 expected for a simple proportionality between these quantities, as is typically used for historical projections of the rela...
Calculation of coherent X-ray diffraction from b ent Cu nanowires%弯曲Cu纳米线相干X射线衍射图的计算∗
高凤菊
2015-01-01
A method of calculating coherent X-ray diffraction from a bent nanowire, simulated by the molecular dynamics technique under the bent periodic boundary condition, is reported. The segment of nanowire under the X-ray beam consists of the central box and 2N image boxes. X-ray diffraction from this segment of nanowire is obtained from a single calculation of the amplitude of diffraction from the atoms in the central box according to the kinematic theory. Contributions from the image boxes are then obtained by rotations of this amplitude in the reciprocal space and additional phase factors to take into account the position of the image boxes with respect to the central box. This method will be called rotation in the reciprocal space (RRS). Comparison between the RRS and the full calculation of the diffracted amplitude from all the atoms in the central box and the 2N image boxes (full kinematic sum) is done in the Cu nanowire case. The bending of an FCC Cu nanowire oriented along a⟨110⟩direction with an equilibrium shape made up of{100}and {111} facets is calculated by using the SMA (The second-moment approximation of the density of states in the tight-binding formalism) potential. The Cartesian x, y, and z axes correspond, respectively, to [¯112], [1¯11] and [110] directions. The bending occurs in the y-z plane. The calculation time of the RRS method is about 1/(2N +1) times that obtained by doing the full kinematic sum, the RRS method being more eﬃcient when the number of image boxes N is a bigger one. A very small difference in the calculated intensity between the RRS and the full kinematic sum comes from the interpolation in the reciprocal space. So the RRS method is more accurate, when there are more points calculated in the reciprocal space. Similarly, the RRS method can be applied to tension, compression and torsion of the nanowires, When using the molecular dynamics simulation under periodic boundary conditions. In the cases of tension and compression
Liu, Tianyu; Xu, X. George; Carothers, Christopher D.
2014-06-01
Hardware accelerators are currently becoming increasingly important in boosting high performance computing sys- tems. In this study, we tested the performance of two accelerator models, NVIDIA Tesla M2090 GPU and Intel Xeon Phi 5110p coprocessor, using a new Monte Carlo photon transport package called ARCHER-CT we have developed for fast CT imaging dose calculation. The package contains three code variants, ARCHER - CTCPU, ARCHER - CTGPU and ARCHER - CTCOP to run in parallel on the multi-core CPU, GPU and coprocessor architectures respectively. A detailed GE LightSpeed Multi-Detector Computed Tomography (MDCT) scanner model and a family of voxel patient phantoms were included in the code to calculate absorbed dose to radiosensitive organs under specified scan protocols. The results from ARCHER agreed well with those from the production code Monte Carlo N-Particle eXtended (MCNPX). It was found that all the code variants were significantly faster than the parallel MCNPX running on 12 MPI processes, and that the GPU and coprocessor performed equally well, being 2.89~4.49 and 3.01~3.23 times faster than the parallel ARCHER - CTCPU running with 12 hyperthreads.
Roper, Ian P E; Besley, Nicholas A
2016-03-21
The simulation of X-ray emission spectra of transition metal complexes with time-dependent density functional theory (TDDFT) is investigated. X-ray emission spectra can be computed within TDDFT in conjunction with the Tamm-Dancoff approximation by using a reference determinant with a vacancy in the relevant core orbital, and these calculations can be performed using the frozen orbital approximation or with the relaxation of the orbitals of the intermediate core-ionised state included. Both standard exchange-correlation functionals and functionals specifically designed for X-ray emission spectroscopy are studied, and it is shown that the computed spectral band profiles are sensitive to the exchange-correlation functional used. The computed intensities of the spectral bands can be rationalised by considering the metal p orbital character of the valence molecular orbitals. To compute X-ray emission spectra with the correct energy scale allowing a direct comparison with experiment requires the relaxation of the core-ionised state to be included and the use of specifically designed functionals with increased amounts of Hartree-Fock exchange in conjunction with high quality basis sets. A range-corrected functional with increased Hartree-Fock exchange in the short range provides transition energies close to experiment and spectral band profiles that have a similar accuracy to those from standard functionals.
Surface acoustic wave propagation in graphene film
Roshchupkin, Dmitry, E-mail: rochtch@iptm.ru; Plotitcyna, Olga; Matveev, Viktor; Kononenko, Oleg; Emelin, Evgenii; Irzhak, Dmitry [Institute of Microelectronics Technology and High-Purity Materials Russian Academy of Sciences, Chernogolovka 142432 (Russian Federation); Ortega, Luc [Laboratoire de Physique des Solides, Univ. Paris-Sud, CNRS, UMR 8502, 91405 Orsay Cedex (France); Zizak, Ivo; Erko, Alexei [Institute for Nanometre Optics and Technology, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Albert-Einstein Strasse 15, 12489 Berlin (Germany); Tynyshtykbayev, Kurbangali; Insepov, Zinetula [Nazarbayev University Research and Innovation System, 53 Kabanbay Batyr St., Astana 010000 (Kazakhstan)
2015-09-14
Surface acoustic wave (SAW) propagation in a graphene film on the surface of piezoelectric crystals was studied at the BESSY II synchrotron radiation source. Talbot effect enabled the visualization of the SAW propagation on the crystal surface with the graphene film in a real time mode, and high-resolution x-ray diffraction permitted the determination of the SAW amplitude in the graphene/piezoelectric crystal system. The influence of the SAW on the electrical properties of the graphene film was examined. It was shown that the changing of the SAW amplitude enables controlling the magnitude and direction of current in graphene film on the surface of piezoelectric crystals.
Surface acoustic wave propagation in graphene film
Roshchupkin, Dmitry; Ortega, Luc; Zizak, Ivo; Plotitcyna, Olga; Matveev, Viktor; Kononenko, Oleg; Emelin, Evgenii; Erko, Alexei; Tynyshtykbayev, Kurbangali; Irzhak, Dmitry; Insepov, Zinetula
2015-09-01
Surface acoustic wave (SAW) propagation in a graphene film on the surface of piezoelectric crystals was studied at the BESSY II synchrotron radiation source. Talbot effect enabled the visualization of the SAW propagation on the crystal surface with the graphene film in a real time mode, and high-resolution x-ray diffraction permitted the determination of the SAW amplitude in the graphene/piezoelectric crystal system. The influence of the SAW on the electrical properties of the graphene film was examined. It was shown that the changing of the SAW amplitude enables controlling the magnitude and direction of current in graphene film on the surface of piezoelectric crystals.
Multiple front propagation into unstable states
Montagne, R; Hernández-García, E; Miguel, M S
1993-01-01
The dynamics of transient patterns formed by front propagation in extended nonequilibrium systems is considered. Under certain circumstances, the state left behind a front propagating into an unstable homogeneous state can be an unstable periodic pattern. It is found by a numerical solution of a model of the Fr\\'eedericksz transition in nematic liquid crystals that the mechanism of decay of such periodic unstable states is the propagation of a second front which replaces the unstable pattern by a another unstable periodic state with larger wavelength. The speed of this second front and the periodicity of the new state are analytically calculated with a generalization of the marginal stability formalism suited to the study of front propagation into periodic unstable states. PACS: 47.20.Ky, 03.40.Kf, 47.54.+r
Polkowski, Marcin
2016-04-01
Seismic wave travel time calculation is the most common numerical operation in seismology. The most efficient is travel time calculation in 1D velocity model - for given source, receiver depths and angular distance time is calculated within fraction of a second. Unfortunately, in most cases 1D is not enough to encounter differentiating local and regional structures. Whenever possible travel time through 3D velocity model has to be calculated. It can be achieved using ray calculation or time propagation in space. While single ray path calculation is quick it is complicated to find the ray path that connects source with the receiver. Time propagation in space using Fast Marching Method seems more efficient in most cases, especially when there are multiple receivers. In this presentation a Python module pySeismicFMM is presented - simple and very efficient tool for calculating travel time from sources to receivers. Calculation requires regular 2D or 3D velocity grid either in Cartesian or geographic coordinates. On desktop class computer calculation speed is 200k grid cells per second. Calculation has to be performed once for every source location and provides travel time to all receivers. pySeismicFMM is free and open source. Development of this tool is a part of authors PhD thesis. National Science Centre Poland provided financial support for this work via NCN grant DEC-2011/02/A/ST10/00284.
Olovsson, Weine; Magnuson, Martin
2016-01-01
The local structure and chemical bonding in two-phase amorphous Cr$_{1-x}$C$_{x}$ nanocomposite thin films are investigated by Cr $K$-edge ($1s$) X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) spectroscopies in comparison to theory. By utilizing the computationally efficient \\textit{stochastic quenching} (SQ) technique, we reveal the complexity of different Cr-sites in the transition metal carbides, highlighting the need for large scale averaging to obtain theoretical XANES and EXAFS spectra for comparison with measurements. As shown in this work, it is advantageous to use \\textit{ab initio} theory as an assessment to correctly model and fit experimental spectra and investigate the trends of bond lengths and coordination numbers in complex amorphous materials. With sufficient total carbon content ($\\geq$ 30 at\\%), we find that the short-range coordination in the amorphous carbide phase exhibit similarities to that of a Cr$_{7}$C$_{3\\pm{}y}$ structure, while e...
Son, Sang-Kil; 10.1103/PhysRevA.85.063415
2013-01-01
When atoms and molecules are irradiated by an x-ray free-electron laser (XFEL), they are highly ionized via a sequence of one-photon ionization and relaxation processes. To describe the ionization dynamics during XFEL pulses, a rate equation model has been employed. Even though this model is straightforward for the case of light atoms, it generates a huge number of coupled rate equations for heavy atoms like xenon, which are not trivial to solve directly. Here, we employ the Monte Carlo method to address this problem and we investigate ionization dynamics of xenon atoms induced by XFEL pulses at a photon energy of 4500 eV. Charge state distributions, photo-/Auger electron spectra, and fluorescence spectra are presented for x-ray fluences of up to $10^{13}$ photons/$\\mu$m$^2$. With the photon energy of 4500 eV, xenon atoms can be ionized up to +44 through multiphoton absorption characterized by sequential one-photon single-electron interactions.
Gear Crack Propagation Investigation
1995-01-01
Reduced weight is a major design goal in aircraft power transmissions. Some gear designs incorporate thin rims to help meet this goal. Thin rims, however, may lead to bending fatigue cracks. These cracks may propagate through a gear tooth or into the gear rim. A crack that propagates through a tooth would probably not be catastrophic, and ample warning of a failure could be possible. On the other hand, a crack that propagates through the rim would be catastrophic. Such cracks could lead to disengagement of a rotor or propeller from an engine, loss of an aircraft, and fatalities. To help create and validate tools for the gear designer, the NASA Lewis Research Center performed in-house analytical and experimental studies to investigate the effect of rim thickness on gear-tooth crack propagation. Our goal was to determine whether cracks grew through gear teeth (benign failure mode) or through gear rims (catastrophic failure mode) for various rim thicknesses. In addition, we investigated the effect of rim thickness on crack propagation life. A finite-element-based computer program simulated gear-tooth crack propagation. The analysis used principles of linear elastic fracture mechanics, and quarter-point, triangular elements were used at the crack tip to represent the stress singularity. The program had an automated crack propagation option in which cracks were grown numerically via an automated remeshing scheme. Crack-tip stress-intensity factors were estimated to determine crack-propagation direction. Also, various fatigue crack growth models were used to estimate crack-propagation life. Experiments were performed in Lewis' Spur Gear Fatigue Rig to validate predicted crack propagation results. Gears with various backup ratios were tested to validate crack-path predictions. Also, test gears were installed with special crack-propagation gages in the tooth fillet region to measure bending-fatigue crack growth. From both predictions and tests, gears with backup ratios
Bollini, C G
1998-01-01
We study the half advanced and half retarded Wheeler Green function and its relation to Feynman propagators. First for massless equation. Then, for Klein-Gordon equations with arbitrary mass parameters; real, imaginary or complex. In all cases the Wheeler propagator lacks an on-shell free propagation. The Wheeler function has support inside the light-cone (whatever the mass). The associated vacuum is symmetric with respect to annihilation and creation operators. We show with some examples that perturbative unitarity holds, whatever the mass (real or complex). Some possible applications are discussed.
Sekiguchi, Yuki; Hashimoto, Saki; Kobayashi, Amane; Oroguchi, Tomotaka; Nakasako, Masayoshi
2017-09-01
Coherent X-ray diffraction imaging (CXDI) is a technique for visualizing the structures of non-crystalline particles with size in the submicrometer to micrometer range in material sciences and biology. In the structural analysis of CXDI, the electron density map of a specimen particle projected along the direction of the incident X-rays can be reconstructed only from the diffraction pattern by using phase-retrieval (PR) algorithms. However, in practice, the reconstruction, relying entirely on the computational procedure, sometimes fails because diffraction patterns miss the data in small-angle regions owing to the beam stop and saturation of the detector pixels, and are modified by Poisson noise in X-ray detection. To date, X-ray free-electron lasers have allowed us to collect a large number of diffraction patterns within a short period of time. Therefore, the reconstruction of correct electron density maps is the bottleneck for efficiently conducting structure analyses of non-crystalline particles. To automatically address the correctness of retrieved electron density maps, a data analysis protocol to extract the most probable electron density maps from a set of maps retrieved from 1000 different random seeds for a single diffraction pattern is proposed. Through monitoring the variations of the phase values during PR calculations, the tendency for the PR calculations to succeed when the retrieved phase sets converged on a certain value was found. On the other hand, if the phase set was in persistent variation, the PR calculation tended to fail to yield the correct electron density map. To quantify this tendency, here a figure of merit for the variation of the phase values during PR calculation is introduced. In addition, a PR protocol to evaluate the similarity between a map of the highest figure of merit and other independently reconstructed maps is proposed. The protocol is implemented and practically examined in the structure analyses for diffraction patterns
Occlusion culling for computer generated hologram based on ray-wavefront conversion.
Wakunami, Koki; Yamashita, Hiroaki; Yamaguchi, Masahiro
2013-09-23
We propose a new method for occlusion culling in the computation of a hologram based on the mutual conversion between light-rays and wavefront. Since the occlusion culling is performed with light-ray information, conventional rendering techniques such as ray-tracing or image-based rendering can be employed. On the other hand, the wavefront is derived for the calculation of light propagation, the hologram of 3-D objects can be obtained in high accuracy. In the numerical experiment, we demonstrate that our approach can reproduce a high-resolution image for deep 3-D scene with correct occlusion effect between plural objects.
Iran SHEIKHSHOAIE; Yousef EBRAHIMIPOUR; Mahdiyeh SHEIKHSHOAEE
2012-01-01
This article presents the computational calculations of a cis-dioxomolybdenum(VI) complex by using density functional theory (DFT) with a DZP basis set (double zeta polarized basis set). The Schiff base 2-((E)-(2-hydroxypropylimino)methyl)-6-methoxyphenol was treated with MoO2(acac)2 in dry methanol to produce the mononuclear complex methanol{2-methoxy-6-[(2-oxidopropyl) iminomethyl]phenolato} dioxidomolybdenum(VI), whose structure has been solved and successfully refined in the monoclinic sp...
Jagetic, Lydia J; Newhauser, Wayne D
2015-06-21
State-of-the-art radiotherapy treatment planning systems provide reliable estimates of the therapeutic radiation but are known to underestimate or neglect the stray radiation exposures. Most commonly, stray radiation exposures are reconstructed using empirical formulas or lookup tables. The purpose of this study was to develop the basic physics of a model capable of calculating the total absorbed dose both inside and outside of the therapeutic radiation beam for external beam photon therapy. The model was developed using measurements of total absorbed dose in a water-box phantom from a 6 MV medical linear accelerator to calculate dose profiles in both the in-plane and cross-plane direction for a variety of square field sizes and depths in water. The water-box phantom facilitated development of the basic physical aspects of the model. RMS discrepancies between measured and calculated total absorbed dose values in water were less than 9.3% for all fields studied. Computation times for 10 million dose points within a homogeneous phantom were approximately 4 min. These results suggest that the basic physics of the model are sufficiently simple, fast, and accurate to serve as a foundation for a variety of clinical and research applications, some of which may require that the model be extended or simplified based on the needs of the user. A potentially important advantage of a physics-based approach is that the model is more readily adaptable to a wide variety of treatment units and treatment techniques than with empirical models.
H Nadgaran; P Elahi
2006-03-01
In this work, the inhomogeneous equation of heat conduction was exactly solved by applying inhomogeneous boundary conditions for laser crystals of aspect ratio=1 (aspect ratio=radius of the laser rod/length of the laser rod). We have shown that the paraxial ray approximation leads the solution to be a function of 2, that is, the approximation is equivalent to a situation in which a homogeneous pump source is used. The solution was then used to derive expressions for the overall phase shift, focal length of the thermal lens and the end effect induced curvature of the end face. The expressions were then applied to Nd:YAG laser medium. The result shows a meaningful correction of the order of 0.001 cm to the focal length of Nd:YAG rod for 3 W source power and beam waist of 100 m.
Powerful scriptable ray tracing package xrt
Klementiev, Konstantin; Chernikov, Roman
2014-09-01
We present an open source python based ray tracing tool that offers several useful features in graphical presentation, material properties, advanced calculations of synchrotron sources, implementation of diffractive and refractive elements, complex (also closed) surfaces and multiprocessing. The package has many usage examples which are supplied together with the code and visualized on its web page. We exemplify the present version by modeling (i) a curved crystal analyzer, (ii) a quarter wave plate, (iii) Bragg-Fresnel optics and (iv) multiple reflective and non-sequential optics (polycapillary). The present version implements the use of OpenCL framework that executes calculations on both CPUs and GPUs. Currently, the calculations of an undulator source on a GPU show a gain of about two orders of magnitude in computing time. The development version is successful in modelling the wavefront propagation. Two examples of diffraction on a plane mirror and a plane blazed grating are given for a beam with a finite energy band.
Analytic Matrix Method for the Study of Propagation Characteristics of a Bent Planar Waveguide
LIU Qing; CAO Zhuang-Qi; SHEN Qi-Shun; DOU Xiao-Ming; CHEN Ying-Li
2000-01-01
An analytic matrix method is used to analyze and accurately calculate the propagation constant and bendinglosses of a bent planar waveguide. This method gives not only a dispersion equation with explicit physical insight,but also accurate complex propagation constants.
Pedersen, Morten N; Hedegård, Erik D; Olsen, Jógvan Magnus H; Kauczor, Joanna; Norman, Patrick; Kongsted, Jacob
2014-03-11
We present a combination of the polarizable embedding (PE) scheme with the complex polarization propagator (CPP) method with the aim of calculating response properties including relaxation for large and complex systems. This new approach, termed PE-CPP, will benefit from the highly advanced description of the environmental electrostatic potential and polarization in the PE method as well as the treatment of near-resonant effects in the CPP approach. The PE-CPP model has been implemented in a Kohn-Sham density functional theory approach, and we present pilot calculations exemplifying the implementation for the UV/vis and carbon K-edge X-ray absorption spectra of the protein plastocyanin. Furthermore, technical details associated with a PE-CPP calculation are discussed.
Cordeiro, T P V; Silva, A X
2012-12-01
With the fast advancement of technology, (60)Co teletherapy units are largely being replaced with medical linear accelerators. In most cases, the linear accelerator tends to be installed in the same room in which the (60)Co teletherapy unit was previously placed. If in-depth structural remodelling is out of the question, high-density concrete is usually used to improve shielding against primary, scatter and leakage radiation originating in the new equipment. This work presents a study based on Monte Carlo simulations of the transmission of some clinical photon spectra (from 6, 10, 15, 18 and 25 MV accelerators) through concrete, considering two different densities. Concrete walls with thickness ranging from 0.70 to 2.0 m were irradiated with 30 cm×30 cm primary beam spectra. The results show that the thickness of the barrier decreases up to ∼65 % when barite (high-density concrete) is used instead of ordinary concrete. The average energies of primary and transmitted beam spectra were also calculated. In addition, conversion coefﬁcients from air kerma to ambient dose equivalent, H*(d)/K(air), and air kerma to effective dose, E/K(air), for photon spectra from the transmitted spectra were calculated and compared. The results suggest that the 10-mm depth is not the best choice to represent the effective dose.
Booher, Stephen R. (Teledyne Brown Engineering, Corrales, NM); Bacon, Larry Donald
2006-02-01
. Multipath is only evaluated along a 2-D path in the vertical orientation. This precludes modeling propagation in the urban canyons of metropolitan areas, where horizontal paths are dominant. It also precludes modeling exterior to interior propagation. In view of the apparent inadequacy of urban propagation within mission level models, as evidenced by EADSIM, the study also attempts to address possible solutions to the problem. Correction of the sparsing techniques in both TIREM and SEKE models is recommended. Both SEKE and TIREM are optimized for DTED level 1 data, sparsed at 3 arc seconds resolution. This led to significant errors when map data was sparsed at higher or lower resolution. TIREM's errors would be significantly reduced if the 999 point array limit was eliminated. This would permit using interval sizes equal to the map resolution for larger areas. This same problem could be fixed in SEKE by changing the interval spacing from a fixed 3 arc second resolution ({approx}93 meters) to an interval which is set at the map resolution. Additionally, the cell elevation interpolation method which TIREM uses is inappropriate for the man-made structures encountered in urban environments. Turning this method of determining height off, or providing a selectable switch is desired. In the near term, it appears that further research into ray-tracing models is appropriate. Codes such as RF-ProTEC, which can be dynamically linked to mission level models such as EADSIM, can provide the higher fidelity propagation calculations required, and still permit the dynamic interactions required of the mission level model. Additional research should also be conducted on the best methods of representing man-made structures to determine whether codes other than ray-trace can be used.
Likhacheva, Anna Y; Rashchenko, Sergey V; Chanyshev, Artem D; Inerbaev, Talgat M; Litasov, Konstantin D; Kilin, Dmitry S
2014-04-28
In a wide range of P-T conditions, such fundamental characteristics as compressibility and thermoelastic properties remain unknown for most classes of organic compounds. Here we attempt to clarify this issue by the example of naphthalene as a model representative of polycyclic aromatic hydrocarbons (PAHs). The elastic behavior of solid naphthalene was studied by in situ synchrotron powder X-ray diffraction up to 13 GPa and 773 K and first principles computations to 20 GPa and 773 K. Fitting of the P-V experimental data to Vinet equation of state yielded T 0 = 8.4(3) GPa and T' = 7.2 (3) at V0 = 361 Å(3), whereas the thermal expansion coefficient was found to be extremely low at P > 3 GPa (about 10(-5) K(-1)), in agreement with theoretical estimation. Such a diminishing of thermal effects with the pressure increase clearly demonstrates a specific feature of the high-pressure behavior of molecular crystals like PAHs, associated with a low energy of intermolecular interactions.
Numerically Solving Quark-Loop Effects on Dressed Gluon Propagator in Chiral Limit
FAN Xiao-Ying; WANG Jing; Alatancang; SHI Yuan-Mei; HOU Feng-Yao; SUN Wei-Min; ZONG Hong-Shi; PING Jia-Lun
2008-01-01
We do a numerical calculation on the quark-loop effects on the dressed gluon propagator in the chiral limit. It is found that the quark-loop effects on the dressed gluon propagator are significant in solving the quark propagator in the rainbow approximation of the Dyson-Schwinger equation. The approach we used here is quite general and can also be used to calculate both the chemical potential and current quark mass dependence of the dressed gluon propagator.
Photodisintegration of Ultrahigh Energy Cosmic Rays A New Determination
Stecker, F W
1999-01-01
We present the results of a new calculation of the photodisintegration of ultrahigh energy cosmic ray (UHCR) nuclei in intergalactic space. The critical interactions for energy loss and photodisintegration of UHCR nuclei occur with photons of the 2.73K cosmic background radiation (CBR) and with photons of the infrared background radiation (IBR). We have reexamined this problem making use of a new determination of the IBR based on empirical data, primarily from IRAS galaxies, consistent with direct measurements and upper limits from TeV gamma- ray observations. We have also improved the calculation by including the specific threshold energies for the various photodisintegration interactions in our Monte Carlo calculation. With the new smaller IBR flux, the steepness of the Wien side of the now relatively more important CBR makes their inclusion essential for more accurate results. Our results indicate a significant increase in the propagation time of UHCR nuclei of a given energy over previous results. We disc...
Mohammad Mirzaie
2012-09-01
Full Text Available Background: The 131I radioisotope is used for diagnosis and treatment of hyperthyroidism and thyroid cancer. In optimized Iodine therapy, a specific dose must be reached to the thyroid gland with minimum radiation to the cervical spine, cervical vertebrae, neck tissue, subcutaneous fat and skin. Dose measurement inside the alive organ is difficult therefore the aim of this research was dose calculation in the organs by MCNPX code. Materials and Methods: First of all, the input file for MCNPX code has been prepared to calculate F6 and F8 tallies for ellipsoidal thyroid lobes with long axes is tow times of short axes which the 131I is distributed uniformly inside the lobes. Then the code has been run for F6 and F8 tallies for variation of lobe volume from 1 to 25 milliliters. From the output file of tally F6, the gamma absorbed dose in ellipsoidal thyroid, spinal neck, neck bone, neck tissue, subcutaneous fat layer and skin for the volume lobe variation from 1 ml to 25 ml have been derived and the graphs are drew. As well as, form the output of F8 tally the absorbed energy of beta in thyroid and soft tissue of neck is obtained and listed in the table and then absorbed dose of bate has been calculated. Results: The results of this research show that for constant activity in thyroid, the absorbed dose of gamma decreases about 88.3% in thyroid, 6.9% at soft tissue, 19.3% in adipose layer and 17.4% in skin, but it increases 32.1% in spinal of neck and 32.3% in neck bone when the lobe volume varied from 1 to 25 milliliters. For the same situation, the beta absorbed dose decreases 95.9% in thyroid and 64.2% in soft tissue. Conclusion: For the constant activity in thyroid by increasing the thyroid volume, absorbed dose of gamma in thyroid and soft tissue of neck, adipose layer under the skin and skin of neck decreased, but it increased at spinal of neck and neck bone. Also, by increasing of the lobe volume in constant activity, the beta absorbed dose
X-ray ionization rates in protoplanetary discs
Ercolano, B
2013-01-01
Low-mass young stellar objects are powerful emitters of X-rays that can ionize and heat the disks and the young planets they harbour. The X-rays produce molecular ions that affect the chemistry of the disk atmospheres and their spectroscopic signatures. Deeper down, X-rays are the main ionization source and influence the operation of the magnetorotational instability, believed to be the main driver for the angular momentum redistribution crucial for the accretion and formation of these pre main-sequence stars. X-ray ionization also affects the character of the dead zones around the disk midplane where terrestrial planets are likely to form. To obtain the physical and chemical effects of the stellar X-rays, their propagation through the disk has to be calculated taking into account both absorption and scattering. To date the only calculation of this type was done almost 15 years ago, and here we present new three-dimensional radiative transfer calculations of X-ray ionization rates in protoplanetary discs. Our...
A new propagation method for the radial Schroedinger equation
Devries, P. L.
1979-01-01
A new method for propagating the solution of the radial Schroedinger equation is derived from a Taylor series expansion of the wavefunction and partial re-summation of the infinite series. Truncation of the series yields an approximation to the exact propagator which is applied to a model calculation and found to be highly convergent.
Modeling paraxial wave propagation in free-electron laser oscillators
Karssenberg, J.G.; van der Slot, Petrus J.M.; Volokhine, I.; Verschuur, Jeroen W.J.; Boller, Klaus J.
2006-01-01
Modeling free-electron laser (FEL) oscillators requires calculation of both the light-beam interaction within the undulator and the light propagation outside the undulator. We have developed a paraxial optical propagation code that can be combined with various existing models of gain media, for
Modeling paraxial wave propagation in free-electron laser oscillators
Karssenberg, J.G.; Slot, van der P.J.M.; Volokhine, I.V.; Verschuur, J.W.J.; Boller, K.J.
2006-01-01
Modeling free-electron laser (FEL) oscillators requires calculation of both the light-beam interaction within the undulator and the light propagation outside the undulator. We have developed a paraxial optical propagation code that can be combined with various existing models of gain media, for exam
Propagation of light in area metric backgrounds
Punzi, Raffaele; Wohlfarth, Mattias N R [Zentrum fuer Mathematische Physik und II. Institut fuer Theoretische Physik, Universitaet Hamburg, Luruper Chaussee 149, 22761 Hamburg (Germany); Schuller, Frederic P, E-mail: raffaele.punzi@desy.d, E-mail: fps@aei.mpg.d, E-mail: mattias.wohlfarth@desy.d [Max Planck Institut fuer Gravitationsphysik, Albert Einstein Institut, Am Muehlenberg 1, 14467 Potsdam (Germany)
2009-02-07
The propagation of light in area metric spacetimes, which naturally emerge as refined backgrounds in quantum electrodynamics and quantum gravity, is studied from first principles. In the geometric-optical limit, light rays are found to follow geodesics in a Finslerian geometry, with the Finsler norm being determined by the area metric tensor. Based on this result, and an understanding of the nonlinear relation between ray vectors and wave covectors in such refined backgrounds, we study light deflection in spherically symmetric situations and obtain experimental bounds on the non-metricity of spacetime in the solar system.
Source and replica calculations
Whalen, P.P.
1994-02-01
The starting point of the Hiroshima-Nagasaki Dose Reevaluation Program is the energy and directional distributions of the prompt neutron and gamma-ray radiation emitted from the exploding bombs. A brief introduction to the neutron source calculations is presented. The development of our current understanding of the source problem is outlined. It is recommended that adjoint calculations be used to modify source spectra to resolve the neutron discrepancy problem.
LikeDM: likelihood calculator of dark matter detection
Huang, Xiaoyuan; Yuan, Qiang
2016-01-01
With the large progresses of searching for dark matter (DM) particles from indirect and direct methods, we develop a numerical tool which enables fast calculation of the likelihood of specified DM particle models given a number of observational data, such as charged cosmic rays from space-borne experiments (e.g., PAMELA, AMS-02), $\\gamma$-rays from Fermi space telescope, and the underground direct detection experiments. The purpose of this tool, \\likedm\\ --- likelihood calculator of dark matter detection, is to bridge the particle model of DM and the observational data. The intermediate steps between these two, including the astrophysical backgrounds, the propagation of charged particles, the analysis of Fermi $\\gamma$-ray data, as well as the DM velocity distribution and the nuclear form factor, have been dealt with in the code. We release the first version (v1.0) focusing on the constraints of charged cosmic and gamma rays and the direct detection part will be implemented in the next version. This manual de...
Xu, Liang; Zhang, Dingfeng; Zhou, Yecheng; Zheng, Yusen; Cao, Liu; Jiang, Xiao-Fang; Lu, Fushen
2017-08-01
In this paper, mono- and di-4-N,N-bis(4-methoxylphenyl)aniline-substituted anthraquinone have been designed and synthesized through Suzuki reaction. For mono-4-N,N-bis(4-methoxylphenyl)aniline-substituted anthraquinone, polymorphous crystal structures have been obtained in different crystallization conditions. Electrochemical characterization combined with theoretical calculation suggests that the addition of a second triphenylamine unit causes a larger band gap with higher lying LUMO (Lowest Unoccupied Molecular Orbital) and HOMO (Highest Occupied Molecular Orbital). The linear optical property shows that the introduction of a second triphenylamine unit bring about a significant hyperchromic effect with the extinction coefficients increasing from 11199 M-1 cm-1 to 22136 M-1 cm-1. The third-order nonlinear optical properties indicate that the introduction of a second triphenylamine unit lead to a much larger nonlinear absorption coefficient and two-photon absorption cross section, with the relevant value increasing from 2.04 × 10-12 cm W-1 to 3.91 × 10-12 cm W-1, and from 148 GM to 286 GM, respectively.
Hierarchical Affinity Propagation
Givoni, Inmar; Frey, Brendan J
2012-01-01
Affinity propagation is an exemplar-based clustering algorithm that finds a set of data-points that best exemplify the data, and associates each datapoint with one exemplar. We extend affinity propagation in a principled way to solve the hierarchical clustering problem, which arises in a variety of domains including biology, sensor networks and decision making in operational research. We derive an inference algorithm that operates by propagating information up and down the hierarchy, and is efficient despite the high-order potentials required for the graphical model formulation. We demonstrate that our method outperforms greedy techniques that cluster one layer at a time. We show that on an artificial dataset designed to mimic the HIV-strain mutation dynamics, our method outperforms related methods. For real HIV sequences, where the ground truth is not available, we show our method achieves better results, in terms of the underlying objective function, and show the results correspond meaningfully to geographi...
Dependence of Quark Effective Mass on Gluon Propagators
HE Xiao-Rong; ZHOU Li-Juan; MA Wei-Xing
2005-01-01
Based on Dyson-Schwinger Equations (DSEs) in the "rainbow" approximation, the dependence of quark effective mass on gluon propagator is investigated by use of three different phenomenological gluon propagators with two parameters, the strength parameter x and range parameter △. Our theoretical calculations for the quark effective mass Mf(p2), defined by the self-energy functions Af(p2) and Bf(p2) of the DSEs, show that the dynamically running quark effective mass is strongly dependent on gluon propagator. Therefore, because gluon propagator is completely unknown,the quark effective mass cannot be exactly determined theoretically.
Propagation speed of gamma radiation in brass
Cavalcante, Jose T.P.D.; Silva, Paulo R.J.; Saitovich, Henrique
2009-07-01
The propagation speed (PS) of visible light -represented by a short frequency range in the large frame of electromagnetic radiations (ER) frequencies- in air was measured during the last century, using a great deal of different methods, with high precision results being achieved. Presently, a well accepted value, with very small uncertainty, is c= 299,792.458 Km/s) (c reporting to the Latin word celeritas: 'speed swiftness'). When propagating in denser material media (MM), such value is always lower when compared to the air value, with the propagating MM density playing an important role. Until present, such studies focusing propagation speeds, refractive indexes, dispersions were specially related to visible light, or to ER in wavelengths ranges dose to it, and with a transparent MM. A first incursion in this subject dealing with {gamma}-rays was performed using an electronic coincidence counting system, when the value of it's PS was measured in air, C{sub {gamma}}{sub (air)}298,300.15 Km/s; a method that went on with later electronic improvements. always in air. To perform such measurements the availability of a {gamma}-radiation source in which two {gamma}-rays are emitted simultaneously in opposite directions -as already used as well as applied in the present case- turns out to be essential to the feasibility of the experiment, as far as no reflection techniques could be used. Such a suitable source was the positron emitter {sup 22}Na placed in a thin wall metal container in which the positrons are stopped and annihilated when reacting with the medium electrons, in such way originating -as it is very well established from momentum/energy conservation laws - two gamma-rays, energy 511 KeV each, both emitted simultaneously in opposite directions. In all the previous experiments were used photomultiplier detectors coupled to NaI(Tl) crystal scintillators, which have a good energy resolution but a deficient time resolution for such purposes
National Oceanic and Atmospheric Administration, Department of Commerce — Declination is calculated using the current International Geomagnetic Reference Field (IGRF) model. Declination is calculated using the current World Magnetic Model...
Ikeda, Atsushi; Hennig, Christoph; Rossberg, André; Tsushima, Satoru; Scheinost, Andreas C; Bernhard, Gert
2008-02-15
A multitechnique approach using extended X-ray absorption fine structure (EXAFS) spectroscopy based on iterative transformation factor analysis (ITFA), UV-visible absorption spectroscopy, and density functional theory (DFT) calculations has been performed in order to investigate the speciation of uranium(VI) nitrate species in acetonitrile and to identify the complex structure of individual species in the system. UV-visible spectral titration suggests that there are four different species in the system, that is, pure solvated species, mono-, di-, and trinitrate species. The pure EXAFS spectra of these individual species are extracted by ITFA from the measured spectral mixtures on the basis of the speciation distribution profile calculated from the UV-visible data. Data analysis of the extracted EXAFS spectra, with the help of DFT calculations, reveals the most probable complex structures of the individual species. The pure solvated species corresponds to a uranyl hydrate complex with an equatorial coordination number (CNeq) of 5, [UO2(H2O)5]2+. Nitrate ions tend to coordinate to the uranyl(VI) ion in a bidentate fashion rather than a unidentate one in acetonitrile for all the nitrate species. The mononitrate species forms the complex of [UO2(H2O)3NO3]+ with a CNeq value of 5, while the di- and trinitrate species have a CNeq value of 6, corresponding to [UO2(H2O)2(NO3)2]0 (D2h) and [UO2(NO3)3]- (D3h), respectively.
David, P
2013-01-01
Propagation of Waves focuses on the wave propagation around the earth, which is influenced by its curvature, surface irregularities, and by passage through atmospheric layers that may be refracting, absorbing, or ionized. This book begins by outlining the behavior of waves in the various media and at their interfaces, which simplifies the basic phenomena, such as absorption, refraction, reflection, and interference. Applications to the case of the terrestrial sphere are also discussed as a natural generalization. Following the deliberation on the diffraction of the "ground? wave around the ear
DBEM crack propagation for nonlinear fracture problems
R. Citarella
2015-10-01
Full Text Available A three-dimensional crack propagation simulation is performed by the Dual Boundary Element Method (DBEM. The Stress Intensity Factors (SIFs along the front of a semi elliptical crack, initiated from the external surface of a hollow axle, are calculated for bending and press fit loading separately and for a combination of them. In correspondence of the latter loading condition, a crack propagation is also simulated, with the crack growth rates calculated using the NASGRO3 formula, calibrated for the material under analysis (steel ASTM A469. The J-integral and COD approaches are selected for SIFs calculation in DBEM environment, where the crack path is assessed by the minimum strain energy density criterion (MSED. In correspondence of the initial crack scenario, SIFs along the crack front are also calculated by the Finite Element (FE code ZENCRACK, using COD, in order to provide, by a cross comparison with DBEM, an assessment on the level of accuracy obtained. Due to the symmetry of the bending problem a pure mode I crack propagation is realised with no kinking of the propagating crack whereas for press fit loading the crack propagation becomes mixed mode. The crack growth analysis is nonlinear because of normal gap elements used to model the press fit condition with added friction, and is developed in an iterative-incremental procedure. From the analysis of the SIFs results related to the initial cracked configuration, it is possible to assess the impact of the press fit condition when superimposed to the bending load case.
Paraxial Wentzel-Kramers-Brillouin method applied to the lower hybrid wave propagation
Bertelli, N.; Phillips, C. K.; Valeo, E.; Wilson, J. R. [Princeton Plasma Physics Laboratory, Princeton, New Jersey 08543 (United States); Maj, O.; Poli, E. [Max Planck Institute for Plasma Physics, EURATOM Association, Boltzmannstr. 2, 85748, Garching (Germany); Harvey, R. [CompX, Del Mar, California 92014 (United States); Wright, J. C.; Bonoli, P. T. [MIT Plasma Science and Fusion Center, Cambridge, Massachusetts 02139 (United States); Smirnov, A. P. [Lomonosov Moscow State University, Moscow (Russian Federation)
2012-08-15
The paraxial Wentzel-Kramers-Brillouin (pWKB) approximation, also called beam tracing method, has been employed in order to study the propagation of lower hybrid waves in a tokamak plasma. Analogous to the well-know ray tracing method, this approach reduces Maxwell's equations to a set of ordinary differential equations, while, in addition, retains the effects of the finite beam cross-section, and, thus, the effects of diffraction. A new code, LHBEAM (lower hybrid BEAM tracing), is presented, which solves the pWKB equations in tokamak geometry for arbitrary launching conditions and for analytic and experimental plasma equilibria. In addition, LHBEAM includes linear electron Landau damping for the evaluation of the absorbed power density and the reconstruction of the wave electric field in both the physical and Fourier space. Illustrative LHBEAM calculations are presented along with a comparison with the ray tracing code GENRAY and the full wave solver TORIC-LH.
Fatigue Crack Initiation and Propagation of Aluminum Alloy Bearings
CHENG Xian-Hua; MA Yan-Yan
2004-01-01
Observation of fatigue crack initiation and propagation during fatigue test in ALSn20Cu bearing has been presented. Journal center orbit, oil film pressure and stress distribution in alloy layer have been calculated and are taken as the basis for theoretically simulating the bearing fatigue process. It is found that the calculated results are in good accordance with the experimental results, which provides a feasible way for investigation of fatigue crack propagation process in the bearing.