F--Ray: A new algorithm for efficient transport of ionizing radiation

NASA Astrophysics Data System (ADS)

Mao, Yi; Zhang, J.; Wandelt, B. D.; Shapiro, P. R.; Iliev, I. T.

2014-04-01

We present a new algorithm for the 3D transport of ionizing radiation, called F2-Ray (Fast Fourier Ray-tracing method). The transfer of ionizing radiation with long mean free path in diffuse intergalactic gas poses a special challenge to standard numerical methods which transport the radiation in position space. Standard methods usually trace each individual ray until it is fully absorbed by the intervening gas. If the mean free path is long, the computational cost and memory load are likely to be prohibitive. We have developed an algorithm that overcomes these limitations and is, therefore, significantly more efficient. The method calculates the transfer of radiation collectively, using the Fast Fourier Transform to convert radiation between position and Fourier spaces, so the computational cost will not increase with the number of ionizing sources. The method also automatically combines parallel rays with the same frequency at the same grid cell, thereby minimizing the memory requirement. The method is explicitly photon-conserving, i.e. the depletion of ionizing photons is guaranteed to equal the photoionizations they caused, and explicitly obeys the periodic boundary condition, i.e. the escape of ionizing photons from one side of a simulation volume is guaranteed to be compensated by emitting the same amount of photons into the volume through the opposite side. Together, these features make it possible to numerically simulate the transfer of ionizing photons more efficiently than previous methods. Since ionizing radiation such as the X-ray is responsible for heating the intergalactic gas when first stars and quasars form at high redshifts, our method can be applied to simulate thermal distribution, in addition to cosmic reionization, in three-dimensional inhomogeneous cosmological density field.

Monte Carlo simulation of x-ray spectra in diagnostic radiology and mammography using MCNP4C

NASA Astrophysics Data System (ADS)

Ay, M. R.; Shahriari, M.; Sarkar, S.; Adib, M.; Zaidi, H.

2004-11-01

The general purpose Monte Carlo N-particle radiation transport computer code (MCNP4C) was used for the simulation of x-ray spectra in diagnostic radiology and mammography. The electrons were transported until they slow down and stop in the target. Both bremsstrahlung and characteristic x-ray production were considered in this work. We focus on the simulation of various target/filter combinations to investigate the effect of tube voltage, target material and filter thickness on x-ray spectra in the diagnostic radiology and mammography energy ranges. The simulated x-ray spectra were compared with experimental measurements and spectra calculated by IPEM report number 78. In addition, the anode heel effect and off-axis x-ray spectra were assessed for different anode angles and target materials and the results were compared with EGS4-based Monte Carlo simulations and measured data. Quantitative evaluation of the differences between our Monte Carlo simulated and comparison spectra was performed using student's t-test statistical analysis. Generally, there is a good agreement between the simulated x-ray and comparison spectra, although there are systematic differences between the simulated and reference spectra especially in the K-characteristic x-rays intensity. Nevertheless, no statistically significant differences have been observed between IPEM spectra and the simulated spectra. It has been shown that the difference between MCNP simulated spectra and IPEM spectra in the low energy range is the result of the overestimation of characteristic photons following the normalization procedure. The transmission curves produced by MCNP4C have good agreement with the IPEM report especially for tube voltages of 50 kV and 80 kV. The systematic discrepancy for higher tube voltages is the result of systematic differences between the corresponding spectra.

Cosmic-Ray Transport in Heliospheric Magnetic Structures. II. Modeling Particle Transport through Corotating Interaction Regions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kopp, Andreas; Wiengarten, Tobias; Fichtner, Horst

The transport of cosmic rays (CRs) in the heliosphere is determined by the properties of the solar wind plasma. The heliospheric plasma environment has been probed by spacecraft for decades and provides a unique opportunity for testing transport theories. Of particular interest for the three-dimensional (3D) heliospheric CR transport are structures such as corotating interaction regions (CIRs), which, due to the enhancement of the magnetic field strength and magnetic fluctuations within and due to the associated shocks as well as stream interfaces, do influence the CR diffusion and drift. In a three-fold series of papers, we investigate these effects bymore » modeling inner-heliospheric solar wind conditions with the numerical magnetohydrodynamic (MHD) framework Cronos (Wiengarten et al., referred as Paper I), and the results serve as input to a transport code employing a stochastic differential equation approach (this paper). While, in Paper I, we presented results from 3D simulations with Cronos, the MHD output is now taken as an input to the CR transport modeling. We discuss the diffusion and drift behavior of Galactic cosmic rays using the example of different theories, and study the effects of CIRs on these transport processes. In particular, we point out the wide range of possible particle fluxes at a given point in space resulting from these different theories. The restriction of this variety by fitting the numerical results to spacecraft data will be the subject of the third paper of this series.« less

Monte-Carlo Simulation and Measurements of Electrons, Positrons, And Gamma-Rays Generated by Laser-Solid Interactions

NASA Astrophysics Data System (ADS)

Henderson, Alexander Hastings

Lasers have grown more powerful in recent years, opening up new frontiers in physics. From early intensities of less than 1010 W/cm 2, lasers can now achieve intensities over 1021 W/cm 2. Ultraintense laser can become powerful new tools to produce relativistic electrons, positron-electron pairs, and gamma-rays. The pair production efficiency is equal to or greater than that of linear accelerators, the most common method of antimatter generation in the past. The gamma-rays and electrons produced can be highly collimated, making these interactions of interest for beam generation. Monte-Carlo particle transport simulation has long been used in physics for simulating various particle and radiation processes, and is well-suited to simulating both electromagnetic cascades resulting from laser-solid interactions and the response of electron/positron spectrometers and gamma-ray detectors. We have used GEANT4 Monte-Carlo particle transport simulation to design and calibrate charged-particle spectrometers using permanent magnets as well as a Forward Compton Electron Spectrometer to measure gamma-rays of higher energies than have previously been achieved. We have had some success simulating and measuring high positron and gamma-rays yields from laser-solid interactions using gold target at the Texas Petawatt Laser (TPW). While similar spectrometers have been developed in the past, we are to our knowledge the first to successfully use permanent magnet spectrometers to detect positrons originating from laser-solid interactions in this energy range. We believe we are also the first to successfully detect multi-MeV gamma rays using a permanent magnet Forward Compton Electron Spectrometer. Monte-Carlo particle transport simulation has been used by other groups to model positron production from laser-solid ineraction, but at the time that we began we were, as far as we know, the first to have a significant amount of empirical data to work with. We were thus at liberty to estimate

A signature of anisotropic cosmic-ray transport in the gamma-ray sky

NASA Astrophysics Data System (ADS)

Cerri, Silvio Sergio; Gaggero, Daniele; Vittino, Andrea; Evoli, Carmelo; Grasso, Dario

2017-10-01

A crucial process in Galactic cosmic-ray (CR) transport is the spatial diffusion due to the interaction with the interstellar turbulent magnetic field. Usually, CR diffusion is assumed to be uniform and isotropic all across the Galaxy. However, this picture is clearly inaccurate: several data-driven and theoretical arguments, as well as dedicated numerical simulations, show that diffusion exhibits highly anisotropic properties with respect to the direction of a background (ordered) magnetic field (i.e., parallel or perpendicular to it). In this paper we focus on a recently discovered anomaly in the hadronic CR spectrum inferred by the Fermi-LAT gamma-ray data at different positions in the Galaxy, i.e. the progressive hardening of the proton slope at low Galactocentric radii. We propose the idea that this feature can be interpreted as a signature of anisotropic diffusion in the complex Galactic magnetic field: in particular, the harder slope in the inner Galaxy is due, in our scenario, to the parallel diffusive escape along the poloidal component of the large-scale, regular, magnetic field. We implement this idea in a numerical framework, based on the DRAGON code, and perform detailed numerical tests on the accuracy of our setup. We discuss how the effect proposed depends on the relevant free parameters involved. Based on low-energy extrapolation of the few focused numerical simulations aimed at determining the scalings of the anisotropic diffusion coefficients, we finally present a set of plausible models that reproduce the behavior of the CR proton slopes inferred by gamma-ray data.

A signature of anisotropic cosmic-ray transport in the gamma-ray sky

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cerri, Silvio Sergio; Grasso, Dario; Gaggero, Daniele

A crucial process in Galactic cosmic-ray (CR) transport is the spatial diffusion due to the interaction with the interstellar turbulent magnetic field. Usually, CR diffusion is assumed to be uniform and isotropic all across the Galaxy. However, this picture is clearly inaccurate: several data-driven and theoretical arguments, as well as dedicated numerical simulations, show that diffusion exhibits highly anisotropic properties with respect to the direction of a background (ordered) magnetic field (i.e., parallel or perpendicular to it). In this paper we focus on a recently discovered anomaly in the hadronic CR spectrum inferred by the Fermi-LAT gamma-ray data at differentmore » positions in the Galaxy, i.e. the progressive hardening of the proton slope at low Galactocentric radii. We propose the idea that this feature can be interpreted as a signature of anisotropic diffusion in the complex Galactic magnetic field: in particular, the harder slope in the inner Galaxy is due, in our scenario, to the parallel diffusive escape along the poloidal component of the large-scale, regular, magnetic field. We implement this idea in a numerical framework, based on the DRAGON code, and perform detailed numerical tests on the accuracy of our setup. We discuss how the effect proposed depends on the relevant free parameters involved. Based on low-energy extrapolation of the few focused numerical simulations aimed at determining the scalings of the anisotropic diffusion coefficients, we finally present a set of plausible models that reproduce the behavior of the CR proton slopes inferred by gamma-ray data.« less

GEMS X-ray Polarimeter Performance Simulations

NASA Technical Reports Server (NTRS)

Baumgartner, Wayne H.; Strohmayer, Tod; Kallman, Tim; Black, J. Kevin; Hill, Joanne; Swank, Jean

2012-01-01

The Gravity and Extreme Magnetism Small explorer (GEMS) is an X-ray polarization telescope selected as a NASA small explorer satellite mission. The X-ray Polarimeter on GEMS uses a Time Projection Chamber gas proportional counter to measure the polarization of astrophysical X-rays in the 2-10 keV band by sensing the direction of the track of the primary photoelectron excited by the incident X-ray. We have simulated the expected sensitivity of the polarimeter to polarized X-rays. We use the simulation package Penelope to model the physics of the interaction of the initial photoelectron with the detector gas and to determine the distribution of charge deposited in the detector volume. We then model the charge diffusion in the detector,and produce simulated track images. Within the track reconstruction algorithm we apply cuts on the track shape and focus on the initial photoelectron direction in order to maximize the overall sensitivity of the instrument, using this technique we have predicted instrument modulation factors nu(sub 100) for 100% polarized X-rays ranging from 10% to over 60% across the 2-10 keV X-ray band. We also discuss the simulation program used to develop and model some of the algorithms used for triggering, and energy measurement of events in the polarimeter.

Transport of cosmic ray nuclei in various materials

NASA Technical Reports Server (NTRS)

Silberberg, R.; Tsao, C. H.; Letaw, J. R.

1988-01-01

Cosmic-ray heavy ions have become a concern in space radiation effects analyses. Heavy ions rapidly deposit energy and create dense ionization trails as they traverse materials. Collection of the free charge disrupts the operation of microelectronic circuits. This effect, called the single-event upset, can cause a loss of digital data. Passage of high linear energy transfer particles through the eyes has been observed by Apollo astronauts. These heavy ions have great radiobiological effectiveness and are the primary risk factor for leukemia induction on a manned Mars mission. Models of the transport of heavy cosmic-ray nuclei through materials depend heavily on our understanding of the cosmic-ray environment, nuclear spallation cross sections, and computer transport codes. Our group has initiated and pursued the development of a full capability for modeling these transport processes. A recent review of this ongoing effort is presented in Ref. 5. In this paper, we discuss transport methods and present new results comparing the attenuation of cosmic rays in various materials.

Radiography simulation on single-shot dual-spectrum X-ray for cargo inspection system.

PubMed

Gil, Youngmi; Oh, Youngdo; Cho, Moohyun; Namkung, Won

2011-02-01

We propose a method to identify materials in the dual energy X-ray (DeX) inspection system. This method identifies materials by combining information on the relative proportions T of high-energy and low-energy X-rays transmitted through the material, and the ratio R of the attenuation coefficient of the material when high-energy are used to that when low energy X-rays are used. In Monte Carlo N-Particle Transport Code (MCNPX) simulations using the same geometry as that of the real container inspection system, this T vs. R method successfully identified tissue-equivalent plastic and several metals. In further simulations, the single-shot mode of operating the accelerator led to better distinguishing of materials than the dual-shot system. Copyright © 2010 Elsevier Ltd. All rights reserved.

Simulating X-ray bursts with a radiation hydrodynamics code

NASA Astrophysics Data System (ADS)

Seong, Gwangeon; Kwak, Kyujin

2018-04-01

Previous simulations of X-ray bursts (XRBs), for example, those performed by MESA (Modules for Experiments in Stellar Astrophysics) could not address the dynamical effects of strong radiation, which are important to explain the photospheric radius expansion (PRE) phenomena seen in many XRBs. In order to study the effects of strong radiation, we propose to use SNEC (the SuperNova Explosion Code), a 1D Lagrangian open source code that is designed to solve hydrodynamics and equilibrium-diffusion radiation transport together. Because SNEC is able to control modules of radiation-hydrodynamics for properly mapped inputs, radiation-dominant pressure occurring in PRE XRBs can be handled. Here we present simulation models for PRE XRBs by applying SNEC together with MESA.

Transport of cosmic-ray protons in intermittent heliospheric turbulence: Model and simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alouani-Bibi, Fathallah; Le Roux, Jakobus A., E-mail: fb0006@uah.edu

The transport of charged energetic particles in the presence of strong intermittent heliospheric turbulence is computationally analyzed based on known properties of the interplanetary magnetic field and solar wind plasma at 1 astronomical unit. The turbulence is assumed to be static, composite, and quasi-three-dimensional with a varying energy distribution between a one-dimensional Alfvénic (slab) and a structured two-dimensional component. The spatial fluctuations of the turbulent magnetic field are modeled either as homogeneous with a Gaussian probability distribution function (PDF), or as intermittent on large and small scales with a q-Gaussian PDF. Simulations showed that energetic particle diffusion coefficients both parallelmore » and perpendicular to the background magnetic field are significantly affected by intermittency in the turbulence. This effect is especially strong for parallel transport where for large-scale intermittency results show an extended phase of subdiffusive parallel transport during which cross-field transport diffusion dominates. The effects of intermittency are found to depend on particle rigidity and the fraction of slab energy in the turbulence, yielding a perpendicular to parallel mean free path ratio close to 1 for large-scale intermittency. Investigation of higher order transport moments (kurtosis) indicates that non-Gaussian statistical properties of the intermittent turbulent magnetic field are present in the parallel transport, especially for low rigidity particles at all times.« less

Nonlocal heat transport and improved target design for x-ray heating studies at x-ray free electron lasers

NASA Astrophysics Data System (ADS)

Hoidn, Oliver; Seidler, Gerald T.

2018-01-01

The extremely high-power densities and short durations of single pulses of x-ray free electron lasers (XFELs) have opened new opportunities in atomic physics, where complex excitation-relaxation chains allow for high ionization states in atomic and molecular systems, and in dense plasma physics, where XFEL heating of solid-density targets can create unique dense states of matter having temperatures on the order of the Fermi energy. We focus here on the latter phenomena, with special emphasis on the problem of optimum target design to achieve high x-ray heating into the warm dense matter (WDM) state. We report fully three-dimensional simulations of the incident x-ray pulse and the resulting multielectron relaxation cascade to model the spatial energy density deposition in multicomponent targets, with particular focus on the effects of nonlocal heat transport due to the motion of high energy photoelectrons and Auger electrons. We find that nanoscale high-Z /low-Z multicomponent targets can give much improved energy density deposition in lower-Z materials, with enhancements reaching a factor of 100. This has three important benefits. First, it greatly enlarges the thermodynamic parameter space in XFEL x-ray heating studies of lower-Z materials. Second, it allows the use of higher probe photon energies, enabling higher-information content x-ray diffraction (XRD) measurements such as in two-color XFEL operations. Third, while this is merely one step toward optimization of x-ray heating target design, the demonstration of the importance of nonlocal heat transport establishes important common ground between XFEL-based x-ray heating studies and more traditional laser plasma methods.

Correlated prompt fission data in transport simulations

NASA Astrophysics Data System (ADS)

Talou, P.; Vogt, R.; Randrup, J.; Rising, M. E.; Pozzi, S. A.; Verbeke, J.; Andrews, M. T.; Clarke, S. D.; Jaffke, P.; Jandel, M.; Kawano, T.; Marcath, M. J.; Meierbachtol, K.; Nakae, L.; Rusev, G.; Sood, A.; Stetcu, I.; Walker, C.

2018-01-01

Detailed information on the fission process can be inferred from the observation, modeling and theoretical understanding of prompt fission neutron and γ-ray observables. Beyond simple average quantities, the study of distributions and correlations in prompt data, e.g., multiplicity-dependent neutron and γ-ray spectra, angular distributions of the emitted particles, n - n, n - γ, and γ - γ correlations, can place stringent constraints on fission models and parameters that would otherwise be free to be tuned separately to represent individual fission observables. The FREYA and CGMF codes have been developed to follow the sequential emissions of prompt neutrons and γ rays from the initial excited fission fragments produced right after scission. Both codes implement Monte Carlo techniques to sample initial fission fragment configurations in mass, charge and kinetic energy and sample probabilities of neutron and γ emission at each stage of the decay. This approach naturally leads to using simple but powerful statistical techniques to infer distributions and correlations among many observables and model parameters. The comparison of model calculations with experimental data provides a rich arena for testing various nuclear physics models such as those related to the nuclear structure and level densities of neutron-rich nuclei, the γ-ray strength functions of dipole and quadrupole transitions, the mechanism for dividing the excitation energy between the two nascent fragments near scission, and the mechanisms behind the production of angular momentum in the fragments, etc. Beyond the obvious interest from a fundamental physics point of view, such studies are also important for addressing data needs in various nuclear applications. The inclusion of the FREYA and CGMF codes into the MCNP6.2 and MCNPX - PoliMi transport codes, for instance, provides a new and powerful tool to simulate correlated fission events in neutron transport calculations important in

X-ray simulation algorithms used in ISP

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sullivan, John P.

ISP is a simulation code which is sometimes used in the USNDS program. ISP is maintained by Sandia National Lab. However, the X-ray simulation algorithm used by ISP was written by scientists at LANL – mainly by Ed Fenimore with some contributions from John Sullivan and George Neuschaefer and probably others. In email to John Sullivan on July 25, 2016, Jill Rivera, ISP project lead, said “ISP uses the function xdosemeters_sim from the xgen library.” The is a fortran subroutine which is also used to simulate the X-ray response in consim (a descendant of xgen). Therefore, no separate documentation ofmore » the X-ray simulation algorithms in ISP have been written – the documentation for the consim simulation can be used.« less

Cosmic Ray Transport in the Distant Heliosheath

NASA Technical Reports Server (NTRS)

Florinski, V.; Adams, James H.; Washimi, H.

2011-01-01

The character of energetic particle transport in the distant heliosheath and especially in the vicinity of the heliopause could be quite distinct from the other regions of the heliosphere. The magnetic field structure is dominated by a tightly wrapped oscillating heliospheric current sheet which is transported to higher latitudes by the nonradial heliosheath flows. Both Voyagers have, or are expected to enter a region dominated by the sectored field formed during the preceding solar maximum. As the plasma flow slows down on approach to the heliopause, the distance between the folds of the current sheet decreases to the point where it becomes comparable to the cyclotron radius of an energetic ion, such as a galactic cosmic ray. Then, a charged particle can effectively drift across a stack of magnetic sectors with a speed comparable with the particle s velocity. Cosmic rays should also be able to efficiently diffuse across the mean magnetic field if the distance between sector boundaries varies. The region of the heliopause could thus be much more permeable to cosmic rays than was previously thought. This new transport proposed mechanism could explain the very high intensities (approaching the model interstellar values) of galactic cosmic rays measured by Voyager 1 during 2010-2011.

A Simplified Ab Initio Cosmic-ray Modulation Model with Simulated Time Dependence and Predictive Capability

NASA Astrophysics Data System (ADS)

Moloto, K. D.; Engelbrecht, N. E.; Burger, R. A.

2018-06-01

A simplified ab initio approach is followed to model cosmic-ray proton modulation, using a steady-state three-dimensional stochastic solver of the Parker transport equation that simulates some effects of time dependence. Standard diffusion coefficients based on Quasilinear Theory and Nonlinear Guiding Center Theory are employed. The spatial and temporal dependences of the various turbulence quantities required as inputs for the diffusion, as well as the turbulence-reduced drift coefficients, follow from parametric fits to results from a turbulence transport model as well as from spacecraft observations of these turbulence quantities. Effective values are used for the solar wind speed, magnetic field magnitude, and tilt angle in the modulation model to simulate temporal effects due to changes in the large-scale heliospheric plasma. The unusually high cosmic-ray intensities observed during the 2009 solar minimum follow naturally from the current model for most of the energies considered. This demonstrates that changes in turbulence contribute significantly to the high intensities during that solar minimum. We also discuss and illustrate how this model can be used to predict future cosmic-ray intensities, and comment on the reliability of such predictions.

Simulating charge transport to understand the spectral response of Swept Charge Devices

NASA Astrophysics Data System (ADS)

Athiray, P. S.; Sreekumar, P.; Narendranath, S.; Gow, J. P. D.

2015-11-01

Context. Swept Charge Devices (SCD) are novel X-ray detectors optimized for improved spectral performance without any demand for active cooling. The Chandrayaan-1 X-ray Spectrometer (C1XS) experiment onboard the Chandrayaan-1 spacecraft used an array of SCDs to map the global surface elemental abundances on the Moon using the X-ray fluorescence (XRF) technique. The successful demonstration of SCDs in C1XS spurred an enhanced version of the spectrometer on Chandrayaan-2 using the next-generation SCD sensors. Aims: The objective of this paper is to demonstrate validation of a physical model developed to simulate X-ray photon interaction and charge transportation in a SCD. The model helps to understand and identify the origin of individual components that collectively contribute to the energy-dependent spectral response of the SCD. Furthermore, the model provides completeness to various calibration tasks, such as generating spectral matrices (RMFs - redistribution matrix files), estimating efficiency, optimizing event selection logic, and maximizing event recovery to improve photon-collection efficiency in SCDs. Methods: Charge generation and transportation in the SCD at different layers related to channel stops, field zones, and field-free zones due to photon interaction were computed using standard drift and diffusion equations. Charge collected in the buried channel due to photon interaction in different volumes of the detector was computed by assuming a Gaussian radial profile of the charge cloud. The collected charge was processed further to simulate both diagonal clocking read-out, which is a novel design exclusive for SCDs, and event selection logic to construct the energy spectrum. Results: We compare simulation results of the SCD CCD54 with measurements obtained during the ground calibration of C1XS and clearly demonstrate that our model reproduces all the major spectral features seen in calibration data. We also describe our understanding of interactions at

Anomalous Transport of Cosmic Rays in a Nonlinear Diffusion Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Litvinenko, Yuri E.; Fichtner, Horst; Walter, Dominik

2017-05-20

We investigate analytically and numerically the transport of cosmic rays following their escape from a shock or another localized acceleration site. Observed cosmic-ray distributions in the vicinity of heliospheric and astrophysical shocks imply that anomalous, superdiffusive transport plays a role in the evolution of the energetic particles. Several authors have quantitatively described the anomalous diffusion scalings, implied by the data, by solutions of a formal transport equation with fractional derivatives. Yet the physical basis of the fractional diffusion model remains uncertain. We explore an alternative model of the cosmic-ray transport: a nonlinear diffusion equation that follows from a self-consistent treatmentmore » of the resonantly interacting cosmic-ray particles and their self-generated turbulence. The nonlinear model naturally leads to superdiffusive scalings. In the presence of convection, the model yields a power-law dependence of the particle density on the distance upstream of the shock. Although the results do not refute the use of a fractional advection–diffusion equation, they indicate a viable alternative to explain the anomalous diffusion scalings of cosmic-ray particles.« less

Monte Carlo simulations in X-ray imaging

NASA Astrophysics Data System (ADS)

Giersch, Jürgen; Durst, Jürgen

2008-06-01

Monte Carlo simulations have become crucial tools in many fields of X-ray imaging. They help to understand the influence of physical effects such as absorption, scattering and fluorescence of photons in different detector materials on image quality parameters. They allow studying new imaging concepts like photon counting, energy weighting or material reconstruction. Additionally, they can be applied to the fields of nuclear medicine to define virtual setups studying new geometries or image reconstruction algorithms. Furthermore, an implementation of the propagation physics of electrons and photons allows studying the behavior of (novel) X-ray generation concepts. This versatility of Monte Carlo simulations is illustrated with some examples done by the Monte Carlo simulation ROSI. An overview of the structure of ROSI is given as an example of a modern, well-proven, object-oriented, parallel computing Monte Carlo simulation for X-ray imaging.

Development of the Transport Class Model (TCM) Aircraft Simulation From a Sub-Scale Generic Transport Model (GTM) Simulation

NASA Technical Reports Server (NTRS)

Hueschen, Richard M.

2011-01-01

A six degree-of-freedom, flat-earth dynamics, non-linear, and non-proprietary aircraft simulation was developed that is representative of a generic mid-sized twin-jet transport aircraft. The simulation was developed from a non-proprietary, publicly available, subscale twin-jet transport aircraft simulation using scaling relationships and a modified aerodynamic database. The simulation has an extended aerodynamics database with aero data outside the normal transport-operating envelope (large angle-of-attack and sideslip values). The simulation has representative transport aircraft surface actuator models with variable rate-limits and generally fixed position limits. The simulation contains a generic 40,000 lb sea level thrust engine model. The engine model is a first order dynamic model with a variable time constant that changes according to simulation conditions. The simulation provides a means for interfacing a flight control system to use the simulation sensor variables and to command the surface actuators and throttle position of the engine model.

Approximated transport-of-intensity equation for coded-aperture x-ray phase-contrast imaging.

PubMed

Das, Mini; Liang, Zhihua

2014-09-15

Transport-of-intensity equations (TIEs) allow better understanding of image formation and assist in simplifying the "phase problem" associated with phase-sensitive x-ray measurements. In this Letter, we present for the first time to our knowledge a simplified form of TIE that models x-ray differential phase-contrast (DPC) imaging with coded-aperture (CA) geometry. The validity of our approximation is demonstrated through comparison with an exact TIE in numerical simulations. The relative contributions of absorption, phase, and differential phase to the acquired phase-sensitive intensity images are made readily apparent with the approximate TIE, which may prove useful for solving the inverse phase-retrieval problem associated with these CA geometry based DPC.

Correlated prompt fission data in transport simulations

DOE PAGES

Talou, P.; Vogt, R.; Randrup, J.; ...

2018-01-24

Detailed information on the fission process can be inferred from the observation, modeling and theoretical understanding of prompt fission neutron and γ-ray observables. Beyond simple average quantities, the study of distributions and correlations in prompt data, e.g., multiplicity-dependent neutron and γ-ray spectra, angular distributions of the emitted particles, n -n, n - γ, and γ - γ correlations, can place stringent constraints on fission models and parameters that would otherwise be free to be tuned separately to represent individual fission observables. The FREYA and CGMF codes have been developed to follow the sequential emissions of prompt neutrons and γ raysmore » from the initial excited fission fragments produced right after scission. Both codes implement Monte Carlo techniques to sample initial fission fragment configurations in mass, charge and kinetic energy and sample probabilities of neutron and γ emission at each stage of the decay. This approach naturally leads to using simple but powerful statistical techniques to infer distributions and correlations among many observables and model parameters. The comparison of model calculations with experimental data provides a rich arena for testing various nuclear physics models such as those related to the nuclear structure and level densities of neutron-rich nuclei, the γ-ray strength functions of dipole and quadrupole transitions, the mechanism for dividing the excitation energy between the two nascent fragments near scission, and the mechanisms behind the production of angular momentum in the fragments, etc. Beyond the obvious interest from a fundamental physics point of view, such studies are also important for addressing data needs in various nuclear applications. The inclusion of the FREYA and CGMF codes into the MCNP6.2 and MCNPX - PoliMi transport codes, for instance, provides a new and powerful tool to simulate correlated fission events in neutron transport calculations important in

Correlated prompt fission data in transport simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Talou, P.; Vogt, R.; Randrup, J.

Detailed information on the fission process can be inferred from the observation, modeling and theoretical understanding of prompt fission neutron and γ-ray observables. Beyond simple average quantities, the study of distributions and correlations in prompt data, e.g., multiplicity-dependent neutron and γ-ray spectra, angular distributions of the emitted particles, n -n, n - γ, and γ - γ correlations, can place stringent constraints on fission models and parameters that would otherwise be free to be tuned separately to represent individual fission observables. The FREYA and CGMF codes have been developed to follow the sequential emissions of prompt neutrons and γ raysmore » from the initial excited fission fragments produced right after scission. Both codes implement Monte Carlo techniques to sample initial fission fragment configurations in mass, charge and kinetic energy and sample probabilities of neutron and γ emission at each stage of the decay. This approach naturally leads to using simple but powerful statistical techniques to infer distributions and correlations among many observables and model parameters. The comparison of model calculations with experimental data provides a rich arena for testing various nuclear physics models such as those related to the nuclear structure and level densities of neutron-rich nuclei, the γ-ray strength functions of dipole and quadrupole transitions, the mechanism for dividing the excitation energy between the two nascent fragments near scission, and the mechanisms behind the production of angular momentum in the fragments, etc. Beyond the obvious interest from a fundamental physics point of view, such studies are also important for addressing data needs in various nuclear applications. The inclusion of the FREYA and CGMF codes into the MCNP6.2 and MCNPX - PoliMi transport codes, for instance, provides a new and powerful tool to simulate correlated fission events in neutron transport calculations important in

Simulating cosmic ray physics on a moving mesh

NASA Astrophysics Data System (ADS)

Pfrommer, C.; Pakmor, R.; Schaal, K.; Simpson, C. M.; Springel, V.

2017-03-01

We discuss new methods to integrate the cosmic ray (CR) evolution equations coupled to magnetohydrodynamics on an unstructured moving mesh, as realized in the massively parallel AREPO code for cosmological simulations. We account for diffusive shock acceleration of CRs at resolved shocks and at supernova remnants in the interstellar medium (ISM) and follow the advective CR transport within the magnetized plasma, as well as anisotropic diffusive transport of CRs along the local magnetic field. CR losses are included in terms of Coulomb and hadronic interactions with the thermal plasma. We demonstrate the accuracy of our formalism for CR acceleration at shocks through simulations of plane-parallel shock tubes that are compared to newly derived exact solutions of the Riemann shock-tube problem with CR acceleration. We find that the increased compressibility of the post-shock plasma due to the produced CRs decreases the shock speed. However, CR acceleration at spherically expanding blast waves does not significantly break the self-similarity of the Sedov-Taylor solution; the resulting modifications can be approximated by a suitably adjusted, but constant adiabatic index. In first applications of the new CR formalism to simulations of isolated galaxies and cosmic structure formation, we find that CRs add an important pressure component to the ISM that increases the vertical scaleheight of disc galaxies and thus reduces the star formation rate. Strong external structure formation shocks inject CRs into the gas, but the relative pressure of this component decreases towards halo centres as adiabatic compression favours the thermal over the CR pressure.

Data-driven Simulations of Magnetic Connectivity in Behind-the-Limb Gamma-ray Flares and Associated Coronal Mass Ejections

NASA Astrophysics Data System (ADS)

Jin, M.; Petrosian, V.; Liu, W.; Nitta, N.; Omodei, N.; Rubio da Costa, F.; Effenberger, F.; Li, G.; Pesce-Rollins, M.

2017-12-01

Recent Fermi detection of high-energy gamma-ray emission from the behind-the-limb (BTL) solar flares pose a puzzle on the particle acceleration and transport mechanisms in such events. Due to the large separation between the flare site and the location of gamma-ray emission, it is believed that the associated coronal mass ejections (CMEs) play an important role in accelerating and subsequently transporting particles back to the Sun to produce obseved gamma-rays. We explore this scenario by simulating the CME associated with a well-observed flare on 2014 September 1 about 40 degrees behind the east solar limb and by comparing the simulation and observational results. We utilize a data-driven global magnetohydrodynamics model (AWSoM: Alfven-wave Solar Model) to track the dynamical evolution of the global magnetic field during the event and investigate the magnetic connectivity between the CME/CME-driven shock and the Fermi emission region. Moreover, we derive the time-varying shock parameters (e.g., compression ratio, Alfven Mach number, and ThetaBN) over the area that is magnetically connected to the visible solar disk where Fermi gamma-ray emission originates. Our simulation shows that the visible solar disk develops connections both to the flare site and to the CME-driven shock during the eruption, which indicate that the CME's interaction with the global solar corona is critical for understanding such Fermi BTL events and gamma-ray flares in general. We discuss the causes and implications of Fermi BTL events, in the framework of a potential shift of paradigm on particle acceleration in solar flares/CMEs.

SEAWAT-based simulation of axisymmetric heat transport.

PubMed

Vandenbohede, Alexander; Louwyck, Andy; Vlamynck, Nele

2014-01-01

Simulation of heat transport has its applications in geothermal exploitation of aquifers and the analysis of temperature dependent chemical reactions. Under homogeneous conditions and in the absence of a regional hydraulic gradient, groundwater flow and heat transport from or to a well exhibit radial symmetry, and governing equations are reduced by one dimension (1D) which increases computational efficiency importantly. Solute transport codes can simulate heat transport and input parameters may be modified such that the Cartesian geometry can handle radial flow. In this article, SEAWAT is evaluated as simulator for heat transport under radial flow conditions. The 1971, 1D analytical solution of Gelhar and Collins is used to compare axisymmetric transport with retardation (i.e., as a result of thermal equilibrium between fluid and solid) and a large diffusion (conduction). It is shown that an axisymmetric simulation compares well with a fully three dimensional (3D) simulation of an aquifer thermal energy storage systems. The influence of grid discretization, solver parameters, and advection solution is illustrated. Because of the high diffusion to simulate conduction, convergence criterion for heat transport must be set much smaller (10(-10) ) than for solute transport (10(-6) ). Grid discretization should be considered carefully, in particular the subdivision of the screen interval. On the other hand, different methods to calculate the pumping or injection rate distribution over different nodes of a multilayer well lead to small differences only. © 2013, National Ground Water Association.

Multi-ray medical ultrasound simulation without explicit speckle modelling.

PubMed

Tuzer, Mert; Yazıcı, Abdulkadir; Türkay, Rüştü; Boyman, Michael; Acar, Burak

2018-05-04

To develop a medical ultrasound (US) simulation method using T1-weighted magnetic resonance images (MRI) as the input that offers a compromise between low-cost ray-based and high-cost realistic wave-based simulations. The proposed method uses a novel multi-ray image formation approach with a virtual phased array transducer probe. A domain model is built from input MR images. Multiple virtual acoustic rays are emerged from each element of the linear transducer array. Reflected and transmitted acoustic energy at discrete points along each ray is computed independently. Simulated US images are computed by fusion of the reflected energy along multiple rays from multiple transducers, while phase delays due to differences in distances to transducers are taken into account. A preliminary implementation using GPUs is presented. Preliminary results show that the multi-ray approach is capable of generating view point-dependent realistic US images with an inherent Rician distributed speckle pattern automatically. The proposed simulator can reproduce the shadowing artefacts and demonstrates frequency dependence apt for practical training purposes. We also have presented preliminary results towards the utilization of the method for real-time simulations. The proposed method offers a low-cost near-real-time wave-like simulation of realistic US images from input MR data. It can further be improved to cover the pathological findings using an improved domain model, without any algorithmic updates. Such a domain model would require lesion segmentation or manual embedding of virtual pathologies for training purposes.

Insights into electron and ion acceleration and transport from x-ray and gamma-ray imaging spectroscopy

NASA Astrophysics Data System (ADS)

Hurford, Gordon J.; Krucker, Samuel

The previous solar maximum has featured high resolution imaging/spectroscopy observations at hard x-ray and gamma-ray energies by the Reuven Ramaty High Energy Solar/Spectroscopic Imager (RHESSI). Highlights of these observations will be reviewed, along with their impli-cations for our understanding of ion and electron acceleration and transport processes. The results to date have included new insights into the location of the acceleration region and the thick target model, a new appreciation of the significance of x-ray albedo, observation of coronal gamma-ray sources and their implications for electron trapping, and indications of differences in the acceleration and transport between electrons and ions. The role of RHESSI's observational strengths and weaknesses in determining the character of its scientific results will also be discussed and used to identify what aspects of the acceleration and transport processes must await the next generation of instrumentation. The extent to which new instrumentation now under development, such as Solar Orbiter/STIX, GRIPS, and FOXSI, can address these open issues will be outlined.

Simulation tools for analyzer-based x-ray phase contrast imaging system with a conventional x-ray source

NASA Astrophysics Data System (ADS)

Caudevilla, Oriol; Zhou, Wei; Stoupin, Stanislav; Verman, Boris; Brankov, J. G.

2016-09-01

Analyzer-based X-ray phase contrast imaging (ABI) belongs to a broader family of phase-contrast (PC) X-ray imaging modalities. Unlike the conventional X-ray radiography, which measures only X-ray absorption, in PC imaging one can also measures the X-rays deflection induced by the object refractive properties. It has been shown that refraction imaging provides better contrast when imaging the soft tissue, which is of great interest in medical imaging applications. In this paper, we introduce a simulation tool specifically designed to simulate the analyzer-based X-ray phase contrast imaging system with a conventional polychromatic X-ray source. By utilizing ray tracing and basic physical principles of diffraction theory our simulation tool can predicting the X-ray beam profile shape, the energy content, the total throughput (photon count) at the detector. In addition we can evaluate imaging system point-spread function for various system configurations.

Computer simulations of transport through membranes: passive diffusion, pores, channels and transporters.

PubMed

Tieleman, D Peter

2006-10-01

A key function of biological membranes is to provide mechanisms for the controlled transport of ions, nutrients, metabolites, peptides and proteins between a cell and its environment. We are using computer simulations to study several processes involved in transport. In model membranes, the distribution of small molecules can be accurately calculated; we are making progress towards understanding the factors that determine the partitioning behaviour in the inhomogeneous lipid environment, with implications for drug distribution, membrane protein folding and the energetics of voltage gating. Lipid bilayers can be simulated at a scale that is sufficiently large to study significant defects, such as those caused by electroporation. Computer simulations of complex membrane proteins, such as potassium channels and ATP-binding cassette (ABC) transporters, can give detailed information about the atomistic dynamics that form the basis of ion transport, selectivity, conformational change and the molecular mechanism of ATP-driven transport. This is illustrated in the present review with recent simulation studies of the voltage-gated potassium channel KvAP and the ABC transporter BtuCD.

Impact of Hypobarism During Simulated Transport on Critical Care Air Transport Team Performance

DTIC Science & Technology

2017-04-26

AFRL-SA-WP-SR-2017-0008 Impact of Hypobarism During Simulated Transport on Critical Care Air Transport Team Performance Dina...July 2014 – November 2016 4. TITLE AND SUBTITLE Impact of Hypobarism During Simulated Transport on Critical Care Air Transport Team Performance 5a...During Critical Care Air Transport Team Advanced Course validation, three-member teams consisting of a physician, nurse, and respiratory therapist

X-Ray Detector Simulations - Oral Presentation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tina, Adrienne

2015-08-20

The free-electron laser at LCLS produces X-Rays that are used in several facilities. This light source is so bright and quick that we are capable of producing movies of objects like proteins. But making these movies would not be possible without a device that can detect the X-Rays and produce images. We need X-Ray cameras. The challenges LCLS faces include the X-Rays’ high repetition rate of 120 Hz, short pulses that can reach 200 femto-seconds, and extreme peak brightness. We need detectors that are compatible with this light source, but before they can be used in the facilities, they mustmore » first be characterized. My project was to do just that, by making a computer simulation program. My presentation discusses the individual detectors I simulated, the details of my program, and how my project will help determine which detector is most useful for a specific experiment.« less

Multi-Modal Transportation System Simulation

DOT National Transportation Integrated Search

1971-01-01

THE PRESENT STATUS OF A LABORATORY BEING DEVELOPED FOR REAL-TIME SIMULATION OF COMMAND AND CONTROL FUNCTIONS IN TRANSPORTATION SYSTEMS IS DISCUSSED. DETAILS ARE GIVEN ON THE SIMULATION MODELS AND ON PROGRAMMING TECHNIQUES USED IN DEFINING AND EVALUAT...

Gyrokinetic Simulations of Transport Scaling and Structure

NASA Astrophysics Data System (ADS)

Hahm, Taik Soo

2001-10-01

There is accumulating evidence from global gyrokinetic particle simulations with profile variations and experimental fluctuation measurements that microturbulence, with its time-averaged eddy size which scales with the ion gyroradius, can cause ion thermal transport which deviates from the gyro-Bohm scaling. The physics here can be best addressed by large scale (rho* = rho_i/a = 0.001) full torus gyrokinetic particle-in-cell turbulence simulations using our massively parallel, general geometry gyrokinetic toroidal code with field-aligned mesh. Simulation results from device-size scans for realistic parameters show that ``wave transport'' mechanism is not the dominant contribution for this Bohm-like transport and that transport is mostly diffusive driven by microscopic scale fluctuations in the presence of self-generated zonal flows. In this work, we analyze the turbulence and zonal flow statistics from simulations and compare to nonlinear theoretical predictions including the radial decorrelation of the transport events by zonal flows and the resulting probability distribution function (PDF). In particular, possible deviation of the characteristic radial size of transport processes from the time-averaged radial size of the density fluctuation eddys will be critically examined.

Simulation Framework for Intelligent Transportation Systems

DOT National Transportation Integrated Search

1996-10-01

A simulation framework has been developed for a large-scale, comprehensive, scaleable simulation of an Intelligent Transportation System. The simulator is designed for running on parellel computers and distributed (networked) computer systems, but ca...

GROSS- GAMMA RAY OBSERVATORY ATTITUDE DYNAMICS SIMULATOR

NASA Technical Reports Server (NTRS)

Garrick, J.

1994-01-01

The Gamma Ray Observatory (GRO) spacecraft will constitute a major advance in gamma ray astronomy by offering the first opportunity for comprehensive observations in the range of 0.1 to 30,000 megaelectronvolts (MeV). The Gamma Ray Observatory Attitude Dynamics Simulator, GROSS, is designed to simulate this mission. The GRO Dynamics Simulator consists of three separate programs: the Standalone Profile Program; the Simulator Program, which contains the Simulation Control Input/Output (SCIO) Subsystem, the Truth Model (TM) Subsystem, and the Onboard Computer (OBC) Subsystem; and the Postprocessor Program. The Standalone Profile Program models the environment of the spacecraft and generates a profile data set for use by the simulator. This data set contains items such as individual external torques; GRO spacecraft, Tracking and Data Relay Satellite (TDRS), and solar and lunar ephemerides; and star data. The Standalone Profile Program is run before a simulation. The SCIO subsystem is the executive driver for the simulator. It accepts user input, initializes parameters, controls simulation, and generates output data files and simulation status display. The TM subsystem models the spacecraft dynamics, sensors, and actuators. It accepts ephemerides, star data, and environmental torques from the Standalone Profile Program. With these and actuator commands from the OBC subsystem, the TM subsystem propagates the current state of the spacecraft and generates sensor data for use by the OBC and SCIO subsystems. The OBC subsystem uses sensor data from the TM subsystem, a Kalman filter (for attitude determination), and control laws to compute actuator commands to the TM subsystem. The OBC subsystem also provides output data to the SCIO subsystem for output to the analysts. The Postprocessor Program is run after simulation is completed. It generates printer and CRT plots and tabular reports of the simulated data at the direction of the user. GROSS is written in FORTRAN 77 and

Background and Recent Progress in Anomalous Transport Simulation

DTIC Science & Technology

2017-07-19

NUMBER (Include area code) 19 July 2017 Briefing Charts 14 June 2017 - 19 July 2017 Background and Recent Progress in Anomalous Transport Simulation ...and Recent Progress in Anomalous Transport Simulation 19 Jul 2017 Justin Koo AFRL/RQRS Edwards AFB, CA 2DISTRIBUTION A: Approved for public release...Baalrud, S.D. and Chabert, P., “Theory for the anomalous electron transport in Hall effect thrusters. I. Insights from particle-in-cell simulations

Accelerating Monte Carlo simulations of photon transport in a voxelized geometry using a massively parallel graphics processing unit.

PubMed

Badal, Andreu; Badano, Aldo

2009-11-01

It is a known fact that Monte Carlo simulations of radiation transport are computationally intensive and may require long computing times. The authors introduce a new paradigm for the acceleration of Monte Carlo simulations: The use of a graphics processing unit (GPU) as the main computing device instead of a central processing unit (CPU). A GPU-based Monte Carlo code that simulates photon transport in a voxelized geometry with the accurate physics models from PENELOPE has been developed using the CUDATM programming model (NVIDIA Corporation, Santa Clara, CA). An outline of the new code and a sample x-ray imaging simulation with an anthropomorphic phantom are presented. A remarkable 27-fold speed up factor was obtained using a GPU compared to a single core CPU. The reported results show that GPUs are currently a good alternative to CPUs for the simulation of radiation transport. Since the performance of GPUs is currently increasing at a faster pace than that of CPUs, the advantages of GPU-based software are likely to be more pronounced in the future.

Intercomparison of Monte Carlo radiation transport codes to model TEPC response in low-energy neutron and gamma-ray fields.

PubMed

Ali, F; Waker, A J; Waller, E J

2014-10-01

Tissue-equivalent proportional counters (TEPC) can potentially be used as a portable and personal dosemeter in mixed neutron and gamma-ray fields, but what hinders this use is their typically large physical size. To formulate compact TEPC designs, the use of a Monte Carlo transport code is necessary to predict the performance of compact designs in these fields. To perform this modelling, three candidate codes were assessed: MCNPX 2.7.E, FLUKA 2011.2 and PHITS 2.24. In each code, benchmark simulations were performed involving the irradiation of a 5-in. TEPC with monoenergetic neutron fields and a 4-in. wall-less TEPC with monoenergetic gamma-ray fields. The frequency and dose mean lineal energies and dose distributions calculated from each code were compared with experimentally determined data. For the neutron benchmark simulations, PHITS produces data closest to the experimental values and for the gamma-ray benchmark simulations, FLUKA yields data closest to the experimentally determined quantities. © The Author 2013. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

[Characteristics of specifications of transportable inverter-type X-ray equipment].

PubMed

Yamamoto, Keiichi; Miyazaki, Shigeru; Asano, Hiroshi; Shinohara, Fuminori; Ishikawa, Mitsuo; Ide, Toshinori; Abe, Shinji; Negishi, Toru; Miyake, Hiroyuki; Imai, Yoshio; Okuaki, Tomoyuki

2003-07-01

Our X-ray systems study group measured and examined the characteristics of four transportable inverter-type X-ray equipments. X-ray tube voltage and X-ray tube current were measured with the X-ray tube voltage and the X-ray tube current measurement terminals provided with the equipment. X-ray tube voltage, irradiation time, and dose were measured with a non-invasive X-ray tube voltage-measuring device, and X-ray output was measured by fluorescence meter. The items investigated were the reproducibility and linearity of X-ray output, error of pre-set X-ray tube voltage and X-ray tube current, and X-ray tube voltage ripple percentage. The waveforms of X-ray tube voltage, the X-ray tube current, and fluorescence intensity draw were analyzed using the oscilloscope gram and a personal computer. All of the equipment had a preset error of X-ray tube voltage and X-ray tube current that met JIS standards. The X-ray tube voltage ripple percentage of each equipment conformed to the tendency to decrease when X-ray tube voltage increased. Although the X-ray output reproducibility of system A exceeded the JIS standard, the other systems were within the JIS standard. Equipment A required 40 ms for X-ray tube current to reach the target value, and there was some X-ray output loss because of a trough in X-ray tube current. Owing to the influence of the ripple in X-ray tube current, the strength of the fluorescence waveform rippled in equipments B and C. Waveform analysis could not be done by aliasing of the recording device in equipment D. The maximum X-ray tube current of transportable inverter-type X-ray equipment is as low as 10-20 mA, and the irradiation time of chest X-ray photography exceeds 0.1 sec. However, improvement of the radiophotographic technique is required for patients who cannot move their bodies or halt respiration. It is necessary to make the irradiation time of the equipments shorter for remote medical treatment.

X-ray system simulation software tools for radiology and radiography education.

PubMed

Kengyelics, Stephen M; Treadgold, Laura A; Davies, Andrew G

2018-02-01

To develop x-ray simulation software tools to support delivery of radiological science education for a range of learning environments and audiences including individual study, lectures, and tutorials. Two software tools were developed; one simulated x-ray production for a simple two dimensional radiographic system geometry comprising an x-ray source, beam filter, test object and detector. The other simulated the acquisition and display of two dimensional radiographic images of complex three dimensional objects using a ray casting algorithm through three dimensional mesh objects. Both tools were intended to be simple to use, produce results accurate enough to be useful for educational purposes, and have an acceptable simulation time on modest computer hardware. The radiographic factors and acquisition geometry could be altered in both tools via their graphical user interfaces. A comparison of radiographic contrast measurements of the simulators to a real system was performed. The contrast output of the simulators had excellent agreement with measured results. The software simulators were deployed to 120 computers on campus. The software tools developed are easy-to-use, clearly demonstrate important x-ray physics and imaging principles, are accessible within a standard University setting and could be used to enhance the teaching of x-ray physics to undergraduate students. Current approaches to teaching x-ray physics in radiological science lack immediacy when linking theory with practice. This method of delivery allows students to engage with the subject in an experiential learning environment. Copyright © 2017. Published by Elsevier Ltd.

A New Numerical Scheme for Cosmic-Ray Transport

NASA Astrophysics Data System (ADS)

Jiang, Yan-Fei; Oh, S. Peng

2018-02-01

Numerical solutions of the cosmic-ray (CR) magnetohydrodynamic equations are dogged by a powerful numerical instability, which arises from the constraint that CRs can only stream down their gradient. The standard cure is to regularize by adding artificial diffusion. Besides introducing ad hoc smoothing, this has a significant negative impact on either computational cost or complexity and parallel scalings. We describe a new numerical algorithm for CR transport, with close parallels to two-moment methods for radiative transfer under the reduced speed of light approximation. It stably and robustly handles CR streaming without any artificial diffusion. It allows for both isotropic and field-aligned CR streaming and diffusion, with arbitrary streaming and diffusion coefficients. CR transport is handled explicitly, while source terms are handled implicitly. The overall time step scales linearly with resolution (even when computing CR diffusion) and has a perfect parallel scaling. It is given by the standard Courant condition with respect to a constant maximum velocity over the entire simulation domain. The computational cost is comparable to that of solving the ideal MHD equation. We demonstrate the accuracy and stability of this new scheme with a wide variety of tests, including anisotropic streaming and diffusion tests, CR-modified shocks, CR-driven blast waves, and CR transport in multiphase media. The new algorithm opens doors to much more ambitious and hitherto intractable calculations of CR physics in galaxies and galaxy clusters. It can also be applied to other physical processes with similar mathematical structure, such as saturated, anisotropic heat conduction.

Simulations of SSLV Ascent and Debris Transport

NASA Technical Reports Server (NTRS)

Rogers, Stuart; Aftosmis, Michael; Murman, Scott; Chan, William; Gomez, Ray; Gomez, Ray; Vicker, Darby; Stuart, Phil

2006-01-01

A viewgraph presentation on Computational Fluid Dynamic (CFD) Simulation of Space Shuttle Launch Vehicle (SSLV) ascent and debris transport analysis is shown. The topics include: 1) CFD simulations of the Space Shuttle Launch Vehicle ascent; 2) Debris transport analysis; 3) Debris aerodynamic modeling; and 4) Other applications.

Direct Simulations of Coupled Transport and Reaction on Nano-Scale X-Ray Computed Tomography Images of Platinum Group Metal-Free Catalyst Cathodes

DOE PAGES

Ogawa, S.; Komini Babu, S.; Chung, H. T.; ...

2016-08-22

The nano/micro-scale geometry of polymer electrolyte fuel cell (PEFC) catalyst layers critically affects cell performance. The small length scales and complex structure of these composite layers make it challenging to analyze cell performance and physics at the particle scale by experiment. We present a computational method to simulate transport and chemical reaction phenomena at the pore/particle-scale and apply it to a PEFC cathode with platinum group metal free (PGM-free) catalyst. Here, we numerically solve the governing equations for the physics with heterogeneous oxygen diffusion coefficient and proton conductivity evaluated using the actual electrode structure and ionomer distribution obtained using nano-scalemore » resolution X-ray computed tomography (nano-CT). Using this approach, the oxygen concentration and electrolyte potential distributions imposed by the oxygen reduction reaction are solved and the impact of the catalyst layer structure on performance is evaluated.« less

Direct Simulations of Coupled Transport and Reaction on Nano-Scale X-Ray Computed Tomography Images of Platinum Group Metal-Free Catalyst Cathodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ogawa, S.; Komini Babu, S.; Chung, H. T.

The nano/micro-scale geometry of polymer electrolyte fuel cell (PEFC) catalyst layers critically affects cell performance. The small length scales and complex structure of these composite layers make it challenging to analyze cell performance and physics at the particle scale by experiment. We present a computational method to simulate transport and chemical reaction phenomena at the pore/particle-scale and apply it to a PEFC cathode with platinum group metal free (PGM-free) catalyst. Here, we numerically solve the governing equations for the physics with heterogeneous oxygen diffusion coefficient and proton conductivity evaluated using the actual electrode structure and ionomer distribution obtained using nano-scalemore » resolution X-ray computed tomography (nano-CT). Using this approach, the oxygen concentration and electrolyte potential distributions imposed by the oxygen reduction reaction are solved and the impact of the catalyst layer structure on performance is evaluated.« less

Simulation the spatial resolution of an X-ray imager based on zinc oxide nanowires in anodic aluminium oxide membrane by using MCNP and OPTICS Codes

NASA Astrophysics Data System (ADS)

Samarin, S. N.; Saramad, S.

2018-05-01

The spatial resolution of a detector is a very important parameter for x-ray imaging. A bulk scintillation detector because of spreading of light inside the scintillator does't have a good spatial resolution. The nanowire scintillators because of their wave guiding behavior can prevent the spreading of light and can improve the spatial resolution of traditional scintillation detectors. The zinc oxide (ZnO) scintillator nanowire, with its simple construction by electrochemical deposition in regular hexagonal structure of Aluminum oxide membrane has many advantages. The three dimensional absorption of X-ray energy in ZnO scintillator is simulated by a Monte Carlo transport code (MCNP). The transport, attenuation and scattering of the generated photons are simulated by a general-purpose scintillator light response simulation code (OPTICS). The results are compared with a previous publication which used a simulation code of the passage of particles through matter (Geant4). The results verify that this scintillator nanowire structure has a spatial resolution less than one micrometer.

Study on efficiency of time computation in x-ray imaging simulation base on Monte Carlo algorithm using graphics processing unit

DOE Office of Scientific and Technical Information (OSTI.GOV)

Setiani, Tia Dwi, E-mail: tiadwisetiani@gmail.com; Suprijadi; Nuclear Physics and Biophysics Reaserch Division, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung Jalan Ganesha 10 Bandung, 40132

Monte Carlo (MC) is one of the powerful techniques for simulation in x-ray imaging. MC method can simulate the radiation transport within matter with high accuracy and provides a natural way to simulate radiation transport in complex systems. One of the codes based on MC algorithm that are widely used for radiographic images simulation is MC-GPU, a codes developed by Andrea Basal. This study was aimed to investigate the time computation of x-ray imaging simulation in GPU (Graphics Processing Unit) compared to a standard CPU (Central Processing Unit). Furthermore, the effect of physical parameters to the quality of radiographic imagesmore » and the comparison of image quality resulted from simulation in the GPU and CPU are evaluated in this paper. The simulations were run in CPU which was simulated in serial condition, and in two GPU with 384 cores and 2304 cores. In simulation using GPU, each cores calculates one photon, so, a large number of photon were calculated simultaneously. Results show that the time simulations on GPU were significantly accelerated compared to CPU. The simulations on the 2304 core of GPU were performed about 64 -114 times faster than on CPU, while the simulation on the 384 core of GPU were performed about 20 – 31 times faster than in a single core of CPU. Another result shows that optimum quality of images from the simulation was gained at the history start from 10{sup 8} and the energy from 60 Kev to 90 Kev. Analyzed by statistical approach, the quality of GPU and CPU images are relatively the same.« less

Interfacing MCNPX and McStas for simulation of neutron transport

NASA Astrophysics Data System (ADS)

Klinkby, Esben; Lauritzen, Bent; Nonbøl, Erik; Kjær Willendrup, Peter; Filges, Uwe; Wohlmuther, Michael; Gallmeier, Franz X.

2013-02-01

Simulations of target-moderator-reflector system at spallation sources are conventionally carried out using Monte Carlo codes such as MCNPX (Waters et al., 2007 [1]) or FLUKA (Battistoni et al., 2007; Ferrari et al., 2005 [2,3]) whereas simulations of neutron transport from the moderator and the instrument response are performed by neutron ray tracing codes such as McStas (Lefmann and Nielsen, 1999; Willendrup et al., 2004, 2011a,b [4-7]). The coupling between the two simulation suites typically consists of providing analytical fits of MCNPX neutron spectra to McStas. This method is generally successful but has limitations, as it e.g. does not allow for re-entry of neutrons into the MCNPX regime. Previous work to resolve such shortcomings includes the introduction of McStas inspired supermirrors in MCNPX. In the present paper different approaches to interface MCNPX and McStas are presented and applied to a simple test case. The direct coupling between MCNPX and McStas allows for more accurate simulations of e.g. complex moderator geometries, backgrounds, interference between beam-lines as well as shielding requirements along the neutron guides.

Real-Time Airborne Gamma-Ray Background Estimation Using NASVD with MLE and Radiation Transport for Calibration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kulisek, Jonathan A.; Schweppe, John E.; Stave, Sean C.

2015-06-01

Helicopter-mounted gamma-ray detectors can provide law enforcement officials the means to quickly and accurately detect, identify, and locate radiological threats over a wide geographical area. The ability to accurately distinguish radiological threat-generated gamma-ray signatures from background gamma radiation in real time is essential in order to realize this potential. This problem is non-trivial, especially in urban environments for which the background may change very rapidly during flight. This exacerbates the challenge of estimating background due to the poor counting statistics inherent in real-time airborne gamma-ray spectroscopy measurements. To address this, we have developed a new technique for real-time estimation ofmore » background gamma radiation from aerial measurements. This method is built upon on the noise-adjusted singular value decomposition (NASVD) technique that was previously developed for estimating the potassium (K), uranium (U), and thorium (T) concentrations in soil post-flight. The method can be calibrated using K, U, and T spectra determined from radiation transport simulations along with basis functions, which may be determined empirically by applying maximum likelihood estimation (MLE) to previously measured airborne gamma-ray spectra. The method was applied to both measured and simulated airborne gamma-ray spectra, with and without man-made radiological source injections. Compared to schemes based on simple averaging, this technique was less sensitive to background contamination from the injected man-made sources and may be particularly useful when the gamma-ray background frequently changes during the course of the flight.« less

Calculations of cosmic-ray helium transport in shielding materials

NASA Technical Reports Server (NTRS)

Cucinotta, Francis A.

1993-01-01

The transport of galactic cosmic-ray helium nuclei and their secondaries through bulk shielding is considered using the straight-ahead approximation to the Boltzmann equation. A data base for nuclear interaction cross sections and secondary particle energy spectra for high-energy light-ion breakup is presented. The importance of the light ions H-2, H-3, and He-3 for cosmic-ray risk estimation is discussed, and the estimates of the fractional contribution to the neutron flux from helium interactions compared with other particle interactions are presented using a 1977 solar minimum cosmic-ray spectrum.

MMAPDNG: A new, fast code backed by a memory-mapped database for simulating delayed γ-ray emission with MCNPX package

NASA Astrophysics Data System (ADS)

Lou, Tak Pui; Ludewigt, Bernhard

2015-09-01

The simulation of the emission of beta-delayed gamma rays following nuclear fission and the calculation of time-dependent energy spectra is a computational challenge. The widely used radiation transport code MCNPX includes a delayed gamma-ray routine that is inefficient and not suitable for simulating complex problems. This paper describes the code "MMAPDNG" (Memory-Mapped Delayed Neutron and Gamma), an optimized delayed gamma module written in C, discusses usage and merits of the code, and presents results. The approach is based on storing required Fission Product Yield (FPY) data, decay data, and delayed particle data in a memory-mapped file. When compared to the original delayed gamma-ray code in MCNPX, memory utilization is reduced by two orders of magnitude and the ray sampling is sped up by three orders of magnitude. Other delayed particles such as neutrons and electrons can be implemented in future versions of MMAPDNG code using its existing framework.

Solar Proton Transport Within an ICRU Sphere Surrounded by a Complex Shield: Ray-trace Geometry

NASA Technical Reports Server (NTRS)

Slaba, Tony C.; Wilson, John W.; Badavi, Francis F.; Reddell, Brandon D.; Bahadori, Amir A.

2015-01-01

A computationally efficient 3DHZETRN code with enhanced neutron and light ion (Z is less than or equal to 2) propagation was recently developed for complex, inhomogeneous shield geometry described by combinatorial objects. Comparisons were made between 3DHZETRN results and Monte Carlo (MC) simulations at locations within the combinatorial geometry, and it was shown that 3DHZETRN agrees with the MC codes to the extent they agree with each other. In the present report, the 3DHZETRN code is extended to enable analysis in ray-trace geometry. This latest extension enables the code to be used within current engineering design practices utilizing fully detailed vehicle and habitat geometries. Through convergence testing, it is shown that fidelity in an actual shield geometry can be maintained in the discrete ray-trace description by systematically increasing the number of discrete rays used. It is also shown that this fidelity is carried into transport procedures and resulting exposure quantities without sacrificing computational efficiency.

RAY-RAMSES: a code for ray tracing on the fly in N-body simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barreira, Alexandre; Llinares, Claudio; Bose, Sownak

2016-05-01

We present a ray tracing code to compute integrated cosmological observables on the fly in AMR N-body simulations. Unlike conventional ray tracing techniques, our code takes full advantage of the time and spatial resolution attained by the N-body simulation by computing the integrals along the line of sight on a cell-by-cell basis through the AMR simulation grid. Moroever, since it runs on the fly in the N-body run, our code can produce maps of the desired observables without storing large (or any) amounts of data for post-processing. We implemented our routines in the RAMSES N-body code and tested the implementationmore » using an example of weak lensing simulation. We analyse basic statistics of lensing convergence maps and find good agreement with semi-analytical methods. The ray tracing methodology presented here can be used in several cosmological analysis such as Sunyaev-Zel'dovich and integrated Sachs-Wolfe effect studies as well as modified gravity. Our code can also be used in cross-checks of the more conventional methods, which can be important in tests of theory systematics in preparation for upcoming large scale structure surveys.« less

SU-G-IeP4-12: Performance of In-111 Coincident Gamma-Ray Counting: A Monte Carlo Simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pahlka, R; Kappadath, S; Mawlawi, O

2016-06-15

Purpose: The decay of In-111 results in a non-isotropic gamma-ray cascade, which is normally imaged using a gamma camera. Creating images with a gamma camera using coincident gamma-rays from In-111 has not been previously studied. Our objective was to explore the feasibility of imaging this cascade as coincidence events and to determine the optimal timing resolution and source activity using Monte Carlo simulations. Methods: GEANT4 was used to simulate the decay of the In-111 nucleus and to model the gamma camera. Each photon emission was assigned a timestamp, and the time delay and angular separation for the second gamma-ray inmore » the cascade was consistent with the known intermediate state half-life of 85ns. The gamma-rays are transported through a model of a Siemens dual head Symbia “S” gamma camera with a 5/8-inch thick crystal and medium energy collimators. A true coincident event was defined as a single 171keV gamma-ray followed by a single 245keV gamma-ray within a specified time window (or vice versa). Several source activities (ranging from 10uCi to 5mCi) with and without incorporation of background counts were then simulated. Each simulation was analyzed using varying time windows to assess random events. The noise equivalent count rate (NECR) was computed based on the number of true and random counts for each combination of activity and time window. No scatter events were assumed since sources were simulated in air. Results: As expected, increasing the timing window increased the total number of observed coincidences albeit at the expense of true coincidences. A timing window range of 200–500ns maximizes the NECR at clinically-used source activities. The background rate did not significantly alter the maximum NECR. Conclusion: This work suggests coincident measurements of In-111 gamma-ray decay can be performed with commercial gamma cameras at clinically-relevant activities. Work is ongoing to assess useful clinical applications.« less

Rapid simulation of X-ray transmission imaging for baggage inspection via GPU-based ray-tracing

NASA Astrophysics Data System (ADS)

Gong, Qian; Stoian, Razvan-Ionut; Coccarelli, David S.; Greenberg, Joel A.; Vera, Esteban; Gehm, Michael E.

2018-01-01

We present a pipeline that rapidly simulates X-ray transmission imaging for arbitrary system architectures using GPU-based ray-tracing techniques. The purpose of the pipeline is to enable statistical analysis of threat detection in the context of airline baggage inspection. As a faster alternative to Monte Carlo methods, we adopt a deterministic approach for simulating photoelectric absorption-based imaging. The highly-optimized NVIDIA OptiX API is used to implement ray-tracing, greatly speeding code execution. In addition, we implement the first hierarchical representation structure to determine the interaction path length of rays traversing heterogeneous media described by layered polygons. The accuracy of the pipeline has been validated by comparing simulated data with experimental data collected using a heterogenous phantom and a laboratory X-ray imaging system. On a single computer, our approach allows us to generate over 400 2D transmission projections (125 × 125 pixels per frame) per hour for a bag packed with hundreds of everyday objects. By implementing our approach on cloud-based GPU computing platforms, we find that the same 2D projections of approximately 3.9 million bags can be obtained in a single day using 400 GPU instances, at a cost of only 0.001 per bag.

Argonne Simulation Framework for Intelligent Transportation Systems

DOT National Transportation Integrated Search

1996-01-01

A simulation framework has been developed which defines a high-level architecture for a large-scale, comprehensive, scalable simulation of an Intelligent Transportation System (ITS). The simulator is designed to run on parallel computers and distribu...

SU-E-T-58: A Novel Monte Carlo Photon Transport Simulation Scheme and Its Application in Cone Beam CT Projection Simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Y; Southern Medical University, Guangzhou; Tian, Z

Purpose: Monte Carlo (MC) simulation is an important tool to solve radiotherapy and medical imaging problems. Low computational efficiency hinders its wide applications. Conventionally, MC is performed in a particle-by -particle fashion. The lack of control on particle trajectory is a main cause of low efficiency in some applications. Take cone beam CT (CBCT) projection simulation as an example, significant amount of computations were wasted on transporting photons that do not reach the detector. To solve this problem, we propose an innovative MC simulation scheme with a path-by-path sampling method. Methods: Consider a photon path starting at the x-ray source.more » After going through a set of interactions, it ends at the detector. In the proposed scheme, we sampled an entire photon path each time. Metropolis-Hasting algorithm was employed to accept/reject a sampled path based on a calculated acceptance probability, in order to maintain correct relative probabilities among different paths, which are governed by photon transport physics. We developed a package gMMC on GPU with this new scheme implemented. The performance of gMMC was tested in a sample problem of CBCT projection simulation for a homogeneous object. The results were compared to those obtained using gMCDRR, a GPU-based MC tool with the conventional particle-by-particle simulation scheme. Results: Calculated scattered photon signals in gMMC agreed with those from gMCDRR with a relative difference of 3%. It took 3.1 hr. for gMCDRR to simulate 7.8e11 photons and 246.5 sec for gMMC to simulate 1.4e10 paths. Under this setting, both results attained the same ∼2% statistical uncertainty. Hence, a speed-up factor of ∼45.3 was achieved by this new path-by-path simulation scheme, where all the computations were spent on those photons contributing to the detector signal. Conclusion: We innovatively proposed a novel path-by-path simulation scheme that enabled a significant efficiency enhancement for MC

Real-time airborne gamma-ray background estimation using NASVD with MLE and radiation transport for calibration

NASA Astrophysics Data System (ADS)

Kulisek, J. A.; Schweppe, J. E.; Stave, S. C.; Bernacki, B. E.; Jordan, D. V.; Stewart, T. N.; Seifert, C. E.; Kernan, W. J.

2015-06-01

Helicopter-mounted gamma-ray detectors can provide law enforcement officials the means to quickly and accurately detect, identify, and locate radiological threats over a wide geographical area. The ability to accurately distinguish radiological threat-generated gamma-ray signatures from background gamma radiation in real time is essential in order to realize this potential. This problem is non-trivial, especially in urban environments for which the background may change very rapidly during flight. This exacerbates the challenge of estimating background due to the poor counting statistics inherent in real-time airborne gamma-ray spectroscopy measurements. To address this challenge, we have developed a new technique for real-time estimation of background gamma radiation from aerial measurements without the need for human analyst intervention. The method can be calibrated using radiation transport simulations along with data from previous flights over areas for which the isotopic composition need not be known. Over the examined measured and simulated data sets, the method generated accurate background estimates even in the presence of a strong, 60Co source. The potential to track large and abrupt changes in background spectral shape and magnitude was demonstrated. The method can be implemented fairly easily in most modern computing languages and environments.

DXRaySMCS: a user-friendly interface developed for prediction of diagnostic radiology X-ray spectra produced by Monte Carlo (MCNP-4C) simulation.

PubMed

Bahreyni Toossi, M T; Moradi, H; Zare, H

2008-01-01

In this work, the general purpose Monte Carlo N-particle radiation transport computer code (MCNP-4C) was used for the simulation of X-ray spectra in diagnostic radiology. The electron's path in the target was followed until its energy was reduced to 10 keV. A user-friendly interface named 'diagnostic X-ray spectra by Monte Carlo simulation (DXRaySMCS)' was developed to facilitate the application of MCNP-4C code for diagnostic radiology spectrum prediction. The program provides a user-friendly interface for: (i) modifying the MCNP input file, (ii) launching the MCNP program to simulate electron and photon transport and (iii) processing the MCNP output file to yield a summary of the results (relative photon number per energy bin). In this article, the development and characteristics of DXRaySMCS are outlined. As part of the validation process, output spectra for 46 diagnostic radiology system settings produced by DXRaySMCS were compared with the corresponding IPEM78. Generally, there is a good agreement between the two sets of spectra. No statistically significant differences have been observed between IPEM78 reported spectra and the simulated spectra generated in this study.

Simulation of a complete X-ray digital radiographic system for industrial applications.

PubMed

Nazemi, E; Rokrok, B; Movafeghi, A; Choopan Dastjerdi, M H

2018-05-19

Simulating X-ray images is of great importance in industry and medicine. Using such simulation permits us to optimize parameters which affect image's quality without the limitations of an experimental procedure. This study revolves around a novel methodology to simulate a complete industrial X-ray digital radiographic system composed of an X-ray tube and a computed radiography (CR) image plate using Monte Carlo N Particle eXtended (MCNPX) code. In the process of our research, an industrial X-ray tube with maximum voltage of 300 kV and current of 5 mA was simulated. A 3-layer uniform plate including a polymer overcoat layer, a phosphor layer and a polycarbonate backing layer was also defined and simulated as the CR imaging plate. To model the image formation in the image plate, at first the absorbed dose was calculated in each pixel inside the phosphor layer of CR imaging plate using the mesh tally in MCNPX code and then was converted to gray value using a mathematical relationship determined in a separate procedure. To validate the simulation results, an experimental setup was designed and the images of two step wedges created out of aluminum and steel were captured by the experiments and compared with the simulations. The results show that the simulated images are in good agreement with the experimental ones demonstrating the ability of the proposed methodology for simulating an industrial X-ray imaging system. Copyright © 2018 Elsevier Ltd. All rights reserved.

Viscosity and inertia in cosmic-ray transport - Effects of an average magnetic field

NASA Technical Reports Server (NTRS)

Williams, L. L.; Jokipii, J. R.

1991-01-01

A generalized transport equation is introduced which describes the transport and propagation of cosmic rays in a magnetized, collisionless medium. The equation is valid if the cosmic-ray distribution function is nearly isotropic in momentum, if the ratio of fluid speed to fluid-flow particle speed is small, and if the ratio of collision time to time for change in the macroscopic flow is small. Five independent cosmic-ray viscosity coefficients are found, and the ralationship of this viscosity to particle orbits in a magnetic field is presented.

Galactic Cosmic-ray Transport in the Global Heliosphere: A Four-Dimensional Stochastic Model

NASA Astrophysics Data System (ADS)

Florinski, V.

2009-04-01

We study galactic cosmic-ray transport in the outer heliosphere and heliosheath using a newly developed transport model based on stochastic integration of the phase-space trajectories of Parker's equation. The model employs backward integration of the diffusion-convection transport equation using Ito calculus and is four-dimensional in space+momentum. We apply the model to the problem of galactic proton transport in the heliosphere during a negative solar minimum. Model results are compared with the Voyager measurements of galactic proton radial gradients and spectra in the heliosheath. We show that the heliosheath is not as efficient in diverting cosmic rays during solar minima as predicted by earlier two-dimensional models.

Atomistic modeling of alternating access of a mitochondrial ADP/ATP membrane transporter with molecular simulations

PubMed Central

Hayashi, Shigehiko

2017-01-01

The mitochondrial ADP/ATP carrier (AAC) is a membrane transporter that exchanges a cytosolic ADP for a matrix ATP. Atomic structures in an outward-facing (OF) form which binds an ADP from the intermembrane space have been solved by X-ray crystallography, and revealed their unique pseudo three-fold symmetry fold which is qualitatively different from pseudo two-fold symmetry of most transporters of which atomic structures have been solved. However, any atomic-level information on an inward-facing (IF) form, which binds an ATP from the matrix side and is fixed by binding of an inhibitor, bongkrekic acid (BA), is not available, and thus its alternating access mechanism for the transport process is unknown. Here, we report an atomic structure of the IF form predicted by atomic-level molecular dynamics (MD) simulations of the alternating access transition with a recently developed accelerating technique. We successfully obtained a significantly stable IF structure characterized by newly formed well-packed and -organized inter-domain interactions through the accelerated simulations of unprecedentedly large conformational changes of the alternating access without a prior knowledge of the target protein structure. The simulation also shed light on an atomistic mechanism of the strict transport selectivity of adenosine nucleotides over guanosine and inosine ones. Furthermore, the IF structure was shown to bind ATP and BA, and thus revealed their binding mechanisms. The present study proposes a qualitatively novel view of the alternating access of transporters having the unique three-fold symmetry in atomic details and opens the way for rational drug design targeting the transporter in the dynamic functional cycle. PMID:28727843

Monte Carlo simulation of X-ray imaging and spectroscopy experiments using quadric geometry and variance reduction techniques

NASA Astrophysics Data System (ADS)

Golosio, Bruno; Schoonjans, Tom; Brunetti, Antonio; Oliva, Piernicola; Masala, Giovanni Luca

2014-03-01

Licensing provisions: GNU General Public License version 3 No. of lines in distributed program, including test data, etc.: 83617 No. of bytes in distributed program, including test data, etc.: 1038160 Distribution format: tar.gz Programming language: C++. Computer: Tested on several PCs and on Mac. Operating system: Linux, Mac OS X, Windows (native and cygwin). RAM: It is dependent on the input data but usually between 1 and 10 MB. Classification: 2.5, 21.1. External routines: XrayLib (https://github.com/tschoonj/xraylib/wiki) Nature of problem: Simulation of a wide range of X-ray imaging and spectroscopy experiments using different types of sources and detectors. Solution method: XRMC is a versatile program that is useful for the simulation of a wide range of X-ray imaging and spectroscopy experiments. It enables the simulation of monochromatic and polychromatic X-ray sources, with unpolarised or partially/completely polarised radiation. Single-element detectors as well as two-dimensional pixel detectors can be used in the simulations, with several acquisition options. In the current version of the program, the sample is modelled by combining convex three-dimensional objects demarcated by quadric surfaces, such as planes, ellipsoids and cylinders. The Monte Carlo approach makes XRMC able to accurately simulate X-ray photon transport and interactions with matter up to any order of interaction. The differential cross-sections and all other quantities related to the interaction processes (photoelectric absorption, fluorescence emission, elastic and inelastic scattering) are computed using the xraylib software library, which is currently the most complete and up-to-date software library for X-ray parameters. The use of variance reduction techniques makes XRMC able to reduce the simulation time by several orders of magnitude compared to other general-purpose Monte Carlo simulation programs. Running time: It is dependent on the complexity of the simulation. For the examples

Numerical simulations of the hard X-ray pulse intensity distribution at the Linac Coherent Light Source

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pardini, Tom; Aquila, Andrew; Boutet, Sebastien

Numerical simulations of the current and future pulse intensity distributions at selected locations along the Far Experimental Hall, the hard X-ray section of the Linac Coherent Light Source (LCLS), are provided. Estimates are given for the pulse fluence, energy and size in and out of focus, taking into account effects due to the experimentally measured divergence of the X-ray beam, and measured figure errors of all X-ray optics in the beam path. Out-of-focus results are validated by comparison with experimental data. Previous work is expanded on, providing quantitatively correct predictions of the pulse intensity distribution. Numerical estimates in focus aremore » particularly important given that the latter cannot be measured with direct imaging techniques due to detector damage. Finally, novel numerical estimates of improvements to the pulse intensity distribution expected as part of the on-going upgrade of the LCLS X-ray transport system are provided. As a result, we suggest how the new generation of X-ray optics to be installed would outperform the old one, satisfying the tight requirements imposed by X-ray free-electron laser facilities.« less

Numerical simulations of the hard X-ray pulse intensity distribution at the Linac Coherent Light Source

DOE PAGES

Pardini, Tom; Aquila, Andrew; Boutet, Sebastien; ...

2017-06-15

Numerical simulations of the current and future pulse intensity distributions at selected locations along the Far Experimental Hall, the hard X-ray section of the Linac Coherent Light Source (LCLS), are provided. Estimates are given for the pulse fluence, energy and size in and out of focus, taking into account effects due to the experimentally measured divergence of the X-ray beam, and measured figure errors of all X-ray optics in the beam path. Out-of-focus results are validated by comparison with experimental data. Previous work is expanded on, providing quantitatively correct predictions of the pulse intensity distribution. Numerical estimates in focus aremore » particularly important given that the latter cannot be measured with direct imaging techniques due to detector damage. Finally, novel numerical estimates of improvements to the pulse intensity distribution expected as part of the on-going upgrade of the LCLS X-ray transport system are provided. As a result, we suggest how the new generation of X-ray optics to be installed would outperform the old one, satisfying the tight requirements imposed by X-ray free-electron laser facilities.« less

Applying Simulation and Logistics Modeling to Transportation Issues

DOT National Transportation Integrated Search

1995-08-15

This paper describes an application where transportation logistics and simulation tools are integrated to create a modeling environment for transportation planning. The Transportation Planning Model (TPM) is a tool developed for the Department of Ene...

The Science of Transportation Analysis and Simulation

NASA Astrophysics Data System (ADS)

Gleibe, John

2010-03-01

Transportation Science focuses on methods developed to model and analyze the interaction between human behavior and transportation systems. From the human behavioral, or demand, perspective, we are interested in how person and households organize their activities across space and time, with travel viewed as an enabling activity. We have a particular interest in how to model the range of responses to public policy and transportation system changes, which leads to the consideration of both short- and long-term decision-making, interpersonal dependencies, and non-transportation-related opportunities and constraints, including household budgets, land use systems and economic systems. This has led to the development of complex structural econometric modeling systems as well as agent-based simulations. From the transportation systems, or supply, perspective we are interested in the level of service provide by transportation facilities, be it auto, transit or multi-modal systems. This has led to the development of network models and equilibrium concepts as well as hybrid simulation systems based on concepts borrowed from physics, such as fluid flow models, and cellular automata-type models. In this presentation, we review a representative sample of these methods and their use in transportation planning and public policy analysis.

THE EFFECT OF INTERMITTENT GYRO-SCALE SLAB TURBULENCE ON PARALLEL AND PERPENDICULAR COSMIC-RAY TRANSPORT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Le Roux, J. A.

Earlier work based on nonlinear guiding center (NLGC) theory suggested that perpendicular cosmic-ray transport is diffusive when cosmic rays encounter random three-dimensional magnetohydrodynamic turbulence dominated by uniform two-dimensional (2D) turbulence with a minor uniform slab turbulence component. In this approach large-scale perpendicular cosmic-ray transport is due to cosmic rays microscopically diffusing along the meandering magnetic field dominated by 2D turbulence because of gyroresonant interactions with slab turbulence. However, turbulence in the solar wind is intermittent and it has been suggested that intermittent turbulence might be responsible for the observation of 'dropout' events in solar energetic particle fluxes on small scales.more » In a previous paper le Roux et al. suggested, using NLGC theory as a basis, that if gyro-scale slab turbulence is intermittent, large-scale perpendicular cosmic-ray transport in weak uniform 2D turbulence will be superdiffusive or subdiffusive depending on the statistical characteristics of the intermittent slab turbulence. In this paper we expand and refine our previous work further by investigating how both parallel and perpendicular transport are affected by intermittent slab turbulence for weak as well as strong uniform 2D turbulence. The main new finding is that both parallel and perpendicular transport are the net effect of an interplay between diffusive and nondiffusive (superdiffusive or subdiffusive) transport effects as a consequence of this intermittency.« less

Molecular Dynamics Simulations of the Human Glucose Transporter GLUT1

PubMed Central

Park, Min-Sun

2015-01-01

Glucose transporters (GLUTs) provide a pathway for glucose transport across membranes. Human GLUTs are implicated in devastating diseases such as heart disease, hyper- and hypo-glycemia, type 2 diabetes and caner. The human GLUT1 has been recently crystalized in the inward-facing open conformation. However, there is no other structural information for other conformations. The X-ray structures of E. coli Xylose permease (XylE), a glucose transporter homolog, are available in multiple conformations with and without the substrates D-xylose and D-glucose. XylE has high sequence homology to human GLUT1 and key residues in the sugar-binding pocket are conserved. Here we construct a homology model for human GLUT1 based on the available XylE crystal structure in the partially occluded outward-facing conformation. A long unbiased all atom molecular dynamics simulation starting from the model can capture a new fully opened outward-facing conformation. Our investigation of molecular interactions at the interface between the transmembrane (TM) domains and the intracellular helices (ICH) domain in the outward- and inward-facing conformation supports that the ICH domain likely stabilizes the outward-facing conformation in GLUT1. Furthermore, inducing a conformational transition, our simulations manifest a global asymmetric rocker switch motion and detailed molecular interactions between the substrate and residues through the water-filled selective pore along a pathway from the extracellular to the intracellular side. The results presented here are consistent with previously published biochemical, mutagenesis and functional studies. Together, this study shed light on the structure and functional relationships of GLUT1 in multiple conformational states. PMID:25919356

Epp: A C++ EGSnrc user code for x-ray imaging and scattering simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lippuner, Jonas; Elbakri, Idris A.; Cui Congwu

2011-03-15

Purpose: Easy particle propagation (Epp) is a user code for the EGSnrc code package based on the C++ class library egspp. A main feature of egspp (and Epp) is the ability to use analytical objects to construct simulation geometries. The authors developed Epp to facilitate the simulation of x-ray imaging geometries, especially in the case of scatter studies. While direct use of egspp requires knowledge of C++, Epp requires no programming experience. Methods: Epp's features include calculation of dose deposited in a voxelized phantom and photon propagation to a user-defined imaging plane. Projection images of primary, single Rayleigh scattered, singlemore » Compton scattered, and multiple scattered photons may be generated. Epp input files can be nested, allowing for the construction of complex simulation geometries from more basic components. To demonstrate the imaging features of Epp, the authors simulate 38 keV x rays from a point source propagating through a water cylinder 12 cm in diameter, using both analytical and voxelized representations of the cylinder. The simulation generates projection images of primary and scattered photons at a user-defined imaging plane. The authors also simulate dose scoring in the voxelized version of the phantom in both Epp and DOSXYZnrc and examine the accuracy of Epp using the Kawrakow-Fippel test. Results: The results of the imaging simulations with Epp using voxelized and analytical descriptions of the water cylinder agree within 1%. The results of the Kawrakow-Fippel test suggest good agreement between Epp and DOSXYZnrc. Conclusions: Epp provides the user with useful features, including the ability to build complex geometries from simpler ones and the ability to generate images of scattered and primary photons. There is no inherent computational time saving arising from Epp, except for those arising from egspp's ability to use analytical representations of simulation geometries. Epp agrees with DOSXYZnrc in dose calculation

A NUMERICAL SIMULATION OF COSMIC RAY MODULATION NEAR THE HELIOPAUSE. II. SOME PHYSICAL INSIGHTS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Luo, Xi; Feng, Xueshang; Potgieter, Marius S.

Cosmic ray (CR) transport near the heliopause (HP) is studied using a hybrid transport model, with the parameters constrained by observations from the Voyager 1 spacecraft. We simulate the CR radial flux along different directions in the heliosphere. There is no well-defined thin layer between the solar wind region and the interstellar region along the tail and polar directions of the heliosphere. By analyzing the radial flux curve along the direction of Voyager 2 , together with its trajectory information, the crossing time of the HP by Voyager 2 is predicted to be in 2017.14. We simulate the CR radialmore » flux for different energy values along the direction of Voyager 1 . We find that there is only a modest modulation region of about 10 au wide beyond the HP, so that Voyager 1 observing the Local Interstellar Spectra is justified in numerical modeling. We analyze the heliospheric exit information of pseudo-particles in our stochastic numerical (time-backward) method, conjecturing that they represent the behavior of CR particles, and we find that pseudo-particles that have been traced from the nose region exit in the tail region. This implies that many CR particles diffuse directly from the heliospheric tail region to the nose region near the HP. In addition, when pseudo-particles were traced from the Local Interstellar Medium (LISM), it is found that their exit location (entrance for real particles) from the simulation domain is along the prescribed Interstellar Magnetic Field direction. This indicates that parallel diffusion dominates CR particle transport in the LISM.« less

Simulating x-ray telescopes with McXtrace: a case study of ATHENA's optics

NASA Astrophysics Data System (ADS)

Ferreira, Desiree D. M.; Knudsen, Erik B.; Westergaard, Niels J.; Christensen, Finn E.; Massahi, Sonny; Shortt, Brian; Spiga, Daniele; Solstad, Mathias; Lefmann, Kim

2016-07-01

We use the X-ray ray-tracing package McXtrace to simulate the performance of X-ray telescopes based on Silicon Pore Optics (SPO) technologies. We use as reference the design of the optics of the planned X-ray mission Advanced Telescope for High ENergy Astrophysics (ATHENA) which is designed as a single X-ray telescope populated with stacked SPO substrates forming mirror modules to focus X-ray photons. We show that is possible to simulate in detail the SPO pores and qualify the use of McXtrace for in-depth analysis of in-orbit performance and laboratory X-ray test results.

Diffusive transport of energetic electrons in the solar corona: X-ray and radio diagnostics

NASA Astrophysics Data System (ADS)

Musset, S.; Kontar, E. P.; Vilmer, N.

2018-02-01

Context. Imaging spectroscopy in X-rays with RHESSI provides the possibility to investigate the spatial evolution of X-ray emitting electron distribution and therefore, to study transport effects on energetic electrons during solar flares. Aims: We study the energy dependence of the scattering mean free path of energetic electrons in the solar corona. Methods: We used imaging spectroscopy with RHESSI to study the evolution of energetic electrons distribution in various parts of the magnetic loop during the 2004 May 21 flare. We compared these observations with the radio observations of the gyrosynchrotron radiation of the same flare and with the predictions of a diffusive transport model. Results: X-ray analysis shows a trapping of energetic electrons in the corona and a spectral hardening of the energetic electron distribution between the top of the loop and the footpoints. Coronal trapping of electrons is stronger for radio-emitting electrons than for X-ray-emitting electrons. These observations can be explained by a diffusive transport model. Conclusions: We show that the combination of X-ray and radio diagnostics is a powerful tool to study electron transport in the solar corona in different energy domains. We show that the diffusive transport model can explain our observations, and in the range 25-500 keV, the scattering mean free path of electrons decreases with electron energy. We can estimate for the first time the scattering mean free path dependence on energy in the corona.

Evaluating the hydraulic and transport properties of peat soil using pore network modeling and X-ray micro computed tomography

NASA Astrophysics Data System (ADS)

Gharedaghloo, Behrad; Price, Jonathan S.; Rezanezhad, Fereidoun; Quinton, William L.

2018-06-01

Micro-scale properties of peat pore space and their influence on hydraulic and transport properties of peat soils have been given little attention so far. Characterizing the variation of these properties in a peat profile can increase our knowledge on the processes controlling contaminant transport through peatlands. As opposed to the common macro-scale (or bulk) representation of groundwater flow and transport processes, a pore network model (PNM) simulates flow and transport processes within individual pores. Here, a pore network modeling code capable of simulating advective and diffusive transport processes through a 3D unstructured pore network was developed; its predictive performance was evaluated by comparing its results to empirical values and to the results of computational fluid dynamics (CFD) simulations. This is the first time that peat pore networks have been extracted from X-ray micro-computed tomography (μCT) images of peat deposits and peat pore characteristics evaluated in a 3D approach. Water flow and solute transport were modeled in the unstructured pore networks mapped directly from μCT images. The modeling results were processed to determine the bulk properties of peat deposits. Results portray the commonly observed decrease in hydraulic conductivity with depth, which was attributed to the reduction of pore radius and increase in pore tortuosity. The increase in pore tortuosity with depth was associated with more decomposed peat soil and decreasing pore coordination number with depth, which extended the flow path of fluid particles. Results also revealed that hydraulic conductivity is isotropic locally, but becomes anisotropic after upscaling to core-scale; this suggests the anisotropy of peat hydraulic conductivity observed in core-scale and field-scale is due to the strong heterogeneity in the vertical dimension that is imposed by the layered structure of peat soils. Transport simulations revealed that for a given solute, the effective

Molecular electronics: insight from first-principles transport simulations.

PubMed

Paulsson, Magnus; Frederiksen, Thomas; Brandbyge, Mads

2010-01-01

Conduction properties of nanoscale contacts can be studied using first-principles simulations. Such calculations give insight into details behind the conductance that is not readily available in experiments. For example, we may learn how the bonding conditions of a molecule to the electrodes affect the electronic transport. Here we describe key computational ingredients and discuss these in relation to simulations for scanning tunneling microscopy (STM) experiments with C60 molecules where the experimental geometry is well characterized. We then show how molecular dynamics simulations may be combined with transport calculations to study more irregular situations, such as the evolution of a nanoscale contact with the mechanically controllable break-junction technique. Finally we discuss calculations of inelastic electron tunnelling spectroscopy as a characterization technique that reveals information about the atomic arrangement and transport channels.

X-Ray Simulator Theory Support

DTIC Science & Technology

1993-11-01

the pulse power elements in existing and future DNA flash x-ray simulators, in particular DECADE. The pulse power for this machine is based on...usually requires usage at less than the radiation the longer the radiation pulse. full power . Energy delivered to the plasma load is converted into...on the Proto II generator sured with ap-i-n diode filtered with 25 pm ofaluminum; the TABLE 1. Nominal parameters for some pulse power generators used

Geant4 simulations of a wide-angle x-ray focusing telescope

NASA Astrophysics Data System (ADS)

Zhao, Donghua; Zhang, Chen; Yuan, Weimin; Zhang, Shuangnan; Willingale, Richard; Ling, Zhixing

2017-06-01

The rapid development of X-ray astronomy has been made possible by widely deploying X-ray focusing telescopes on board many X-ray satellites. Geant4 is a very powerful toolkit for Monte Carlo simulations and has remarkable abilities to model complex geometrical configurations. However, the library of physical processes available in Geant4 lacks a description of the reflection of X-ray photons at a grazing incident angle which is the core physical process in the simulation of X-ray focusing telescopes. The scattering of low-energy charged particles from the mirror surfaces is another noteworthy process which is not yet incorporated into Geant4. Here we describe a Monte Carlo model of a simplified wide-angle X-ray focusing telescope adopting lobster-eye optics and a silicon detector using the Geant4 toolkit. With this model, we simulate the X-ray tracing, proton scattering and background detection. We find that: (1) the effective area obtained using Geant4 is in agreement with that obtained using Q software with an average difference of less than 3%; (2) X-rays are the dominant background source below 10 keV; (3) the sensitivity of the telescope is better by at least one order of magnitude than that of a coded mask telescope with the same physical dimensions; (4) the number of protons passing through the optics and reaching the detector by Firsov scattering is about 2.5 times that of multiple scattering for the lobster-eye telescope.

Simulating transport of nitrogen and phosphorus in a Cambisol after natural and simulated intense rainfall.

PubMed

Kaufmann, Vander; Pinheiro, Adilson; Castro, Nilza Maria dos Reis

2014-05-01

Intense rainfall adversely affects agricultural areas, causing transport of pollutants. Physically-based hydrological models to simulate flows of water and chemical substances can be used to help decision-makers adopt measures which reduce such problems. The purpose of this paper is to evaluate the performance of SWAP and ANIMO models for simulating transport of water, nitrate and phosphorus nutrients, during intense rainfall events generated by a simulator, and during natural rainfall, on a volumetric drainage lysimeter. The models were calibrated and verified using daily time series and simulated rainfall measured at 10-minute intervals. For daily time-intervals, the Nash-Sutcliffe coefficient was 0.865 for the calibration period and 0.805 for verification. Under simulated rainfall, these coefficients were greater than 0.56. The pattern of both nitrate and phosphate concentrations in daily drainage flow under simulated rainfall was acceptably reproduced by the ANIMO model. In the simulated rainfall, loads of nitrate transported in surface runoff varied between 0.08 and 8.46 kg ha(-1), and in drainage form the lysimeter, between 2.44 and 112.57 kg ha(-1). In the case of phosphate, the loads transported in surface runoff varied between 0.002 and 0.504 kg ha(-1), and in drainage, between 0.005 and 1.107 kg ha(-1). The use of the two models SWAP and ANIMO shows the magnitudes of nitrogen and phosphorus fluxes transported by natural and simulated intense rainfall in an agricultural area with different soil management procedures, as required by decision makers. Copyright © 2014 Elsevier B.V. All rights reserved.

Time-dependent transport of energetic particles in magnetic turbulence: computer simulations versus analytical theory

NASA Astrophysics Data System (ADS)

Arendt, V.; Shalchi, A.

2018-06-01

We explore numerically the transport of energetic particles in a turbulent magnetic field configuration. A test-particle code is employed to compute running diffusion coefficients as well as particle distribution functions in the different directions of space. Our numerical findings are compared with models commonly used in diffusion theory such as Gaussian distribution functions and solutions of the cosmic ray Fokker-Planck equation. Furthermore, we compare the running diffusion coefficients across the mean magnetic field with solutions obtained from the time-dependent version of the unified non-linear transport theory. In most cases we find that particle distribution functions are indeed of Gaussian form as long as a two-component turbulence model is employed. For turbulence setups with reduced dimensionality, however, the Gaussian distribution can no longer be obtained. It is also shown that the unified non-linear transport theory agrees with simulated perpendicular diffusion coefficients as long as the pure two-dimensional model is excluded.

Real-time, ray casting-based scatter dose estimation for c-arm x-ray system.

PubMed

Alnewaini, Zaid; Langer, Eric; Schaber, Philipp; David, Matthias; Kretz, Dominik; Steil, Volker; Hesser, Jürgen

2017-03-01

Dosimetric control of staff exposure during interventional procedures under fluoroscopy is of high relevance. In this paper, a novel ray casting approximation of radiation transport is presented and the potential and limitation vs. a full Monte Carlo transport and dose measurements are discussed. The x-ray source of a Siemens Axiom Artix C-arm is modeled by a virtual source model using single Gaussian-shaped source. A Geant4-based Monte Carlo simulation determines the radiation transport from the source to compute scatter from the patient, the table, the ceiling and the floor. A phase space around these scatterers stores all photon information. Only those photons are traced that hit a surface of phantom that represents medical staff in the treatment room, no indirect scattering is considered; and a complete dose deposition on the surface is calculated. To evaluate the accuracy of the approximation, both experimental measurements using Thermoluminescent dosimeters (TLDs) and a Geant4-based Monte Carlo simulation of dose depositing for different tube angulations of the C-arm from cranial-caudal angle 0° and from LAO (Left Anterior Oblique) 0°-90° are realized. Since the measurements were performed on both sides of the table, using the symmetry of the setup, RAO (Right Anterior Oblique) measurements were not necessary. The Geant4-Monte Carlo simulation agreed within 3% with the measured data, which is within the accuracy of measurement and simulation. The ray casting approximation has been compared to TLD measurements and the achieved percentage difference was -7% for data from tube angulations 45°-90° and -29% from tube angulations 0°-45° on the side of the x-ray source, whereas on the opposite side of the x-ray source, the difference was -83.8% and -75%, respectively. Ray casting approximation for only LAO 90° was compared to a Monte Carlo simulation, where the percentage differences were between 0.5-3% on the side of the x-ray source where the highest dose

Simulation of decay processes and radiation transport times in radioactivity measurements

NASA Astrophysics Data System (ADS)

García-Toraño, E.; Peyres, V.; Bé, M.-M.; Dulieu, C.; Lépy, M.-C.; Salvat, F.

2017-04-01

The Fortran subroutine package PENNUC, which simulates random decay pathways of radioactive nuclides, is described. The decay scheme of the active nuclide is obtained from the NUCLEIDE database, whose web application has been complemented with the option of exporting nuclear decay data (possible nuclear transitions, branching ratios, type and energy of emitted particles) in a format that is readable by the simulation subroutines. In the case of beta emitters, the initial energy of the electron or positron is sampled from the theoretical Fermi spectrum. De-excitation of the atomic electron cloud following electron capture and internal conversion is described using transition probabilities from the LLNL Evaluated Atomic Data Library and empirical or calculated energies of released X rays and Auger electrons. The time evolution of radiation showers is determined by considering the lifetimes of nuclear and atomic levels, as well as radiation propagation times. Although PENNUC is designed to operate independently, here it is used in conjunction with the electron-photon transport code PENELOPE, and both together allow the simulation of experiments with radioactive sources in complex material structures consisting of homogeneous bodies limited by quadric surfaces. The reliability of these simulation tools is demonstrated through comparisons of simulated and measured energy spectra from radionuclides with complex multi-gamma spectra, nuclides with metastable levels in their decay pathways, nuclides with two daughters, and beta plus emitters.

Oxygen transport properties estimation by DSMC-CT simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bruno, Domenico; Frezzotti, Aldo; Ghiroldi, Gian Pietro

Coupling DSMC simulations with classical trajectories calculations is emerging as a powerful tool to improve predictive capabilities of computational rarefied gas dynamics. The considerable increase of computational effort outlined in the early application of the method (Koura,1997) can be compensated by running simulations on massively parallel computers. In particular, GPU acceleration has been found quite effective in reducing computing time (Ferrigni,2012; Norman et al.,2013) of DSMC-CT simulations. The aim of the present work is to study rarefied Oxygen flows by modeling binary collisions through an accurate potential energy surface, obtained by molecular beams scattering (Aquilanti, et al.,1999). The accuracy ofmore » the method is assessed by calculating molecular Oxygen shear viscosity and heat conductivity following three different DSMC-CT simulation methods. In the first one, transport properties are obtained from DSMC-CT simulations of spontaneous fluctuation of an equilibrium state (Bruno et al, Phys. Fluids, 23, 093104, 2011). In the second method, the collision trajectory calculation is incorporated in a Monte Carlo integration procedure to evaluate the Taxman’s expressions for the transport properties of polyatomic gases (Taxman,1959). In the third, non-equilibrium zero and one-dimensional rarefied gas dynamic simulations are adopted and the transport properties are computed from the non-equilibrium fluxes of momentum and energy. The three methods provide close values of the transport properties, their estimated statistical error not exceeding 3%. The experimental values are slightly underestimated, the percentage deviation being, again, few percent.« less

Large-scale multi-agent transportation simulations

NASA Astrophysics Data System (ADS)

Cetin, Nurhan; Nagel, Kai; Raney, Bryan; Voellmy, Andreas

2002-08-01

It is now possible to microsimulate the traffic of whole metropolitan areas with 10 million travelers or more, "micro" meaning that each traveler is resolved individually as a particle. In contrast to physics or chemistry, these particles have internal intelligence; for example, they know where they are going. This means that a transportation simulation project will have, besides the traffic microsimulation, modules which model this intelligent behavior. The most important modules are for route generation and for demand generation. Demand is generated by each individual in the simulation making a plan of activities such as sleeping, eating, working, shopping, etc. If activities are planned at different locations, they obviously generate demand for transportation. This however is not enough since those plans are influenced by congestion which initially is not known. This is solved via a relaxation method, which means iterating back and forth between the activities/routes generation and the traffic simulation.

Cosmological simulations of dwarf galaxies with cosmic ray feedback

NASA Astrophysics Data System (ADS)

Chen, Jingjing; Bryan, Greg L.; Salem, Munier

2016-08-01

We perform zoom-in cosmological simulations of a suite of dwarf galaxies, examining the impact of cosmic rays (CRs) generated by supernovae, including the effect of diffusion. We first look at the effect of varying the uncertain CR parameters by repeatedly simulating a single galaxy. Then we fix the comic ray model and simulate five dwarf systems with virial masses range from 8 to 30 × 1010 M⊙. We find that including CR feedback (with diffusion) consistently leads to disc-dominated systems with relatively flat rotation curves and constant star formation rates. In contrast, our purely thermal feedback case results in a hot stellar system and bursty star formation. The CR simulations very well match the observed baryonic Tully-Fisher relation, but have a lower gas fraction than in real systems. We also find that the dark matter cores of the CR feedback galaxies are cuspy, while the purely thermal feedback case results in a substantial core.

Simulated annealing two-point ray tracing

NASA Astrophysics Data System (ADS)

Velis, Danilo R.; Ulrych, Tadeusz J.

We present a new method for solving the two-point seismic ray tracing problem based on Fermat's principle. The algorithm overcomes some well known difficulties that arise in standard ray shooting and bending methods. Problems related to: (1) the selection of new take-off angles, and (2) local minima in multipathing cases, are overcome by using an efficient simulated annealing (SA) algorithm. At each iteration, the ray is propagated from the source by solving a standard initial value problem. The last portion of the raypath is then forced to pass through the receiver. Using SA, the total traveltime is then globally minimized by obtaining the initial conditions that produce the absolute minimum path. The procedure is suitable for tracing rays through 2D complex structures, although it can be extended to deal with 3D velocity media. Not only direct waves, but also reflected and head-waves can be incorporated in the scheme. One important advantage is its simplicity, in as much as any available or user-preferred initial value solver system can be used. A number of clarifying examples of multipathing in 2D media are examined.

Surrogate model approach for improving the performance of reactive transport simulations

NASA Astrophysics Data System (ADS)

Jatnieks, Janis; De Lucia, Marco; Sips, Mike; Dransch, Doris

2016-04-01

Reactive transport models can serve a large number of important geoscientific applications involving underground resources in industry and scientific research. It is common for simulation of reactive transport to consist of at least two coupled simulation models. First is a hydrodynamics simulator that is responsible for simulating the flow of groundwaters and transport of solutes. Hydrodynamics simulators are well established technology and can be very efficient. When hydrodynamics simulations are performed without coupled geochemistry, their spatial geometries can span millions of elements even when running on desktop workstations. Second is a geochemical simulation model that is coupled to the hydrodynamics simulator. Geochemical simulation models are much more computationally costly. This is a problem that makes reactive transport simulations spanning millions of spatial elements very difficult to achieve. To address this problem we propose to replace the coupled geochemical simulation model with a surrogate model. A surrogate is a statistical model created to include only the necessary subset of simulator complexity for a particular scenario. To demonstrate the viability of such an approach we tested it on a popular reactive transport benchmark problem that involves 1D Calcite transport. This is a published benchmark problem (Kolditz, 2012) for simulation models and for this reason we use it to test the surrogate model approach. To do this we tried a number of statistical models available through the caret and DiceEval packages for R, to be used as surrogate models. These were trained on randomly sampled subset of the input-output data from the geochemical simulation model used in the original reactive transport simulation. For validation we use the surrogate model to predict the simulator output using the part of sampled input data that was not used for training the statistical model. For this scenario we find that the multivariate adaptive regression splines

Fast scattering simulation tool for multi-energy x-ray imaging

NASA Astrophysics Data System (ADS)

Sossin, A.; Tabary, J.; Rebuffel, V.; Létang, J. M.; Freud, N.; Verger, L.

2015-12-01

A combination of Monte Carlo (MC) and deterministic approaches was employed as a means of creating a simulation tool capable of providing energy resolved x-ray primary and scatter images within a reasonable time interval. Libraries of Sindbad, a previously developed x-ray simulation software, were used in the development. The scatter simulation capabilities of the tool were validated through simulation with the aid of GATE and through experimentation by using a spectrometric CdTe detector. A simple cylindrical phantom with cavities and an aluminum insert was used. Cross-validation with GATE showed good agreement with a global spatial error of 1.5% and a maximum scatter spectrum error of around 6%. Experimental validation also supported the accuracy of the simulations obtained from the developed software with a global spatial error of 1.8% and a maximum error of around 8.5% in the scatter spectra.

Simulating Terrestrial Gamma Ray Flashes due to cosmic ray shower electrons and positrons

NASA Astrophysics Data System (ADS)

Connell, Paul

2017-04-01

The University of Valencia has developed a software simulator LEPTRACK to simulate the relativistic runaway electron avalanches, RREA, that are presumed to be the cause of Terrestrial Gamma Ray Flashes and their powerful accompanying Ionization/Excitation Flashes. We show here results of LEPTRACK simulations of RREA by the interaction of MeV energy electrons/positrons and photons in cosmic ray showers traversing plausible electric field geometries expected in storm clouds. The input beams of MeV shower products were created using the CORSIKA software package from the Karlsruhe Institute of Technology. We present images, videos and plots showing the different Ionization, Excitation and gamma-ray photon density fields produced, along with their time and spatial profile evolution, which depend critically on where the line of shower particles intercept the electric field geometry. We also show a new effect of incoming positrons in the shower, which make up a significant fraction of shower products, in particular their apparent "orbiting" within a high altitude negative induced shielding charge layer, which has been conjectured to produce a signature microwave emission, as well as a short range 511 keV annihilation line. The interesting question posed is if this conjectured positron emission can be observed and correlated with TGF orbital observations to show if a TGF originates in the macro E-fields of storm clouds or the micro E-fields of lightning leaders where this positron "orbiting" is not likely to occur.

Galactic cosmic ray transport methods and radiation quality issues

NASA Technical Reports Server (NTRS)

Townsend, L. W.; Wilson, J. W.; Cucinotta, F. A.; Shinn, J. L.

1992-01-01

An overview of galactic cosmic ray (GCR) interaction and transport methods, as implemented in the Langley Research Center GCR transport code, is presented. Representative results for solar minimum, exo-magnetospheric GCR dose equivalents in water are presented on a component by component basis for various thicknesses of aluminum shielding. The impact of proposed changes to the currently used quality factors on exposure estimates and shielding requirements are quantified. Using the cellular track model of Katz, estimates of relative biological effectiveness (RBE) for the mixed GCR radiation fields are also made.

The Application of Neutron Transport Green's Functions to Threat Scenario Simulation

NASA Astrophysics Data System (ADS)

Thoreson, Gregory G.; Schneider, Erich A.; Armstrong, Hirotatsu; van der Hoeven, Christopher A.

2015-02-01

Radiation detectors provide deterrence and defense against nuclear smuggling attempts by scanning vehicles, ships, and pedestrians for radioactive material. Understanding detector performance is crucial to developing novel technologies, architectures, and alarm algorithms. Detection can be modeled through radiation transport simulations; however, modeling a spanning set of threat scenarios over the full transport phase-space is computationally challenging. Previous research has demonstrated Green's functions can simulate photon detector signals by decomposing the scenario space into independently simulated submodels. This paper presents decomposition methods for neutron and time-dependent transport. As a result, neutron detector signals produced from full forward transport simulations can be efficiently reconstructed by sequential application of submodel response functions.

Simulating the Interactions Among Land Use, Transportation ...

EPA Pesticide Factsheets

In most transportation studies, computer models that forecast travel behavior statistics for a future year use static projections of the spatial distribution of future population and employment growth as inputs. As a result, they are unable to account for the temporally dynamic and non-linear interactions among transportation, land use, and socioeconomic systems. System dynamics (SD) provides a common framework for modeling the complex interactions among transportation and other related systems. This study uses a SD model to simulate the cascading impacts of a proposed light rail transit (LRT) system in central North Carolina, USA. The Durham-Orange Light Rail Project (D-O LRP) SD model incorporates relationships among the land use, transportation, and economy sectors to simulate the complex feedbacks that give rise to the travel behavior changes forecasted by the region’s transportation model. This paper demonstrates the sensitivity of changes in travel behavior to the proposed LRT system and the assumptions that went into the transportation modeling, and compares those results to the impacts of an alternative fare-free transit system. SD models such as the D-O LRP SD model can complement transportation studies by providing valuable insight into the interdependent community systems that collectively contribute to travel behavior changes. Presented at the 35th International Conference of the System Dynamics Society in Cambridge, MA, July 18th, 2017

Simulation of Satellite, Airborne and Terrestrial LiDAR with DART (I):Waveform Simulation with Quasi-Monte Carlo Ray Tracing

NASA Technical Reports Server (NTRS)

Gastellu-Etchegorry, Jean-Philippe; Yin, Tiangang; Lauret, Nicolas; Grau, Eloi; Rubio, Jeremy; Cook, Bruce D.; Morton, Douglas C.; Sun, Guoqing

2016-01-01

Light Detection And Ranging (LiDAR) provides unique data on the 3-D structure of atmosphere constituents and the Earth's surface. Simulating LiDAR returns for different laser technologies and Earth scenes is fundamental for evaluating and interpreting signal and noise in LiDAR data. Different types of models are capable of simulating LiDAR waveforms of Earth surfaces. Semi-empirical and geometric models can be imprecise because they rely on simplified simulations of Earth surfaces and light interaction mechanisms. On the other hand, Monte Carlo ray tracing (MCRT) models are potentially accurate but require long computational time. Here, we present a new LiDAR waveform simulation tool that is based on the introduction of a quasi-Monte Carlo ray tracing approach in the Discrete Anisotropic Radiative Transfer (DART) model. Two new approaches, the so-called "box method" and "Ray Carlo method", are implemented to provide robust and accurate simulations of LiDAR waveforms for any landscape, atmosphere and LiDAR sensor configuration (view direction, footprint size, pulse characteristics, etc.). The box method accelerates the selection of the scattering direction of a photon in the presence of scatterers with non-invertible phase function. The Ray Carlo method brings traditional ray-tracking into MCRT simulation, which makes computational time independent of LiDAR field of view (FOV) and reception solid angle. Both methods are fast enough for simulating multi-pulse acquisition. Sensitivity studies with various landscapes and atmosphere constituents are presented, and the simulated LiDAR signals compare favorably with their associated reflectance images and Laser Vegetation Imaging Sensor (LVIS) waveforms. The LiDAR module is fully integrated into DART, enabling more detailed simulations of LiDAR sensitivity to specific scene elements (e.g., atmospheric aerosols, leaf area, branches, or topography) and sensor configuration for airborne or satellite LiDAR sensors.

Partially coherent X-ray wavefront propagation simulations including grazing-incidence focusing optics.

PubMed

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.

A simulation of high energy cosmic ray propagation 2

NASA Technical Reports Server (NTRS)

Honda, M.; Kamata, K.; Kifune, T.; Matsubara, Y.; Mori, M.; Nishijima, K.

1985-01-01

The cosmic ray propagation in the Galactic arm is simulated. The Galactic magnetic fields are known to go along with so called Galactic arms as a main structure with turbulences of the scale about 30pc. The distribution of cosmic ray in Galactic arm is studied. The escape time and the possible anisotropies caused by the arm structure are discussed.

Ion Move Brownian Dynamics (IMBD)--simulations of ion transport.

PubMed

Kurczynska, Monika; Kotulska, Malgorzata

2014-01-01

Comparison of the computed characteristics and physiological measurement of ion transport through transmembrane proteins could be a useful method to assess the quality of protein structures. Simulations of ion transport should be detailed but also timeefficient. The most accurate method could be Molecular Dynamics (MD), which is very time-consuming, hence is not used for this purpose. The model which includes ion-ion interactions and reduces the simulation time by excluding water, protein and lipid molecules is Brownian Dynamics (BD). In this paper a new computer program for BD simulation of the ion transport is presented. We evaluate two methods for calculating the pore accessibility (round and irregular shape) and two representations of ion sizes (van der Waals diameter and one voxel). Ion Move Brownian Dynamics (IMBD) was tested with two nanopores: alpha-hemolysin and potassium channel KcsA. In both cases during the simulation an ion passed through the pore in less than 32 ns. Although two types of ions were in solution (potassium and chloride), only ions which agreed with the selectivity properties of the channels passed through the pores. IMBD is a new tool for the ion transport modelling, which can be used in the simulations of wide and narrow pores.

Design and validation of inert homemade explosive simulants for X-ray-based inspection systems

NASA Astrophysics Data System (ADS)

Faust, Anthony A.; Nacson, Sabatino; Koffler, Bruce; Bourbeau, Éric; Gagne, Louis; Laing, Robin; Anderson, C. J.

2014-05-01

Transport Canada (TC), the Canadian Armed Forces, and other public security agencies have an interest in the assessment of the potential utility of advanced explosives detection technologies to aid in the detection and interdiction of commercial grade, military grade, and homemade or improvised explosives (HME or IE). The availability of suitable, non-hazardous, non-toxic, explosive simulants is of concern when assessing the potential utility of such detection systems. Lack of simulants limits the training opportunities, and ultimately the detection probability, of security personnel using these systems. While simulants for commercial and military grade explosives are available for a wide variety of detection technologies, the design and production of materials to simulate improvised explosives has not kept pace with this emerging threat. Funded by TC and the Canadian Safety and Security Program, Defence Research and Development Canada (DRDC), Visiontec Systems, and Optosecurity engaged in an effort to develop inert, non-toxic Xray interrogation simulants for IE materials such as ammonium nitrate, potassium chlorate, and triacetone triperoxide. These simulants were designed to mimic key X-ray interrogation-relevant material properties of real improvised explosives, principally their bulk density and effective atomic number. Different forms of the simulants were produced and tested, simulating the different explosive threat formulations that could be encountered by front line security workers. These simulants comply with safety and stability requirements, and as best as possible match form and homogeneity. This paper outlines the research program, simulant design, and validation.

Ray tracing simulation of aero-optical effect using multiple gradient index layer

NASA Astrophysics Data System (ADS)

Yang, Seul Ki; Seong, Sehyun; Ryu, Dongok; Kim, Sug-Whan; Kwon, Hyeuknam; Jin, Sang-Hun; Jeong, Ho; Kong, Hyun Bae; Lim, Jae Wan; Choi, Jong Hwa

2016-10-01

We present a new ray tracing simulation of aero-optical effect through anisotropic inhomogeneous media as supersonic flow field surrounds a projectile. The new method uses multiple gradient-index (GRIN) layers for construction of the anisotropic inhomogeneous media and ray tracing simulation. The cone-shaped projectile studied has 19° semi-vertical angle; a sapphire window is parallel to the cone angle; and an optical system of the projectile was assumed via paraxial optics and infrared image detector. The condition for the steady-state solver conducted through computational fluid dynamics (CFD) included Mach numbers 4 and 6 in speed, 25 km altitude, and 0° angle of attack (AoA). The grid refractive index of the flow field via CFD analysis and Gladstone-Dale relation was discretized into equally spaced layers which are parallel with the projectile's window. Each layer was modeled as a form of 2D polynomial by fitting the refractive index distribution. The light source of ray set generated 3,228 rays for varying line of sight (LOS) from 10° to 40°. Ray tracing simulation adopted the Snell's law in 3D to compute the paths of skew rays in the GRIN layers. The results show that optical path difference (OPD) and boresight error (BSE) decreases exponentially as LOS increases. The variation of refractive index decreases, as the speed of flow field increases the OPD and its rate of decay at Mach number 6 in speed has somewhat larger value than at Mach number 4 in speed. Compared with the ray equation method, at Mach number 4 and 10° LOS, the new method shows good agreement, generated 0.33% of relative root-mean-square (RMS) OPD difference and 0.22% of relative BSE difference. Moreover, the simulation time of the new method was more than 20,000 times faster than the conventional ray equation method. The technical detail of the new method and simulation is presented with results and implication.

Multilayer on-chip stacked Fresnel zone plates: Hard x-ray fabrication and soft x-ray simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Kenan; Wojcik, Michael J.; Ocola, Leonidas E.

2015-11-01

Fresnel zone plates are widely used as x-ray nanofocusing optics. To achieve high spatial resolution combined with good focusing efficiency, high aspect ratio nanolithography is required, and one way to achieve that is through multiple e-beam lithography writing steps to achieve on-chip stacking. A two-step writing process producing 50 nm finest zone width at a zone thickness of 1.14 µm for possible hard x-ray applications is shown here. The authors also consider in simulations the case of soft x-ray focusing where the zone thickness might exceed the depth of focus. In this case, the authors compare on-chip stacking with, andmore » without, adjustment of zone positions and show that the offset zones lead to improved focusing efficiency. The simulations were carried out using a multislice propagation method employing Hankel transforms.« less

Monte Carlo simulation of inverse geometry x-ray fluoroscopy using a modified MC-GPU framework

PubMed Central

Dunkerley, David A. P.; Tomkowiak, Michael T.; Slagowski, Jordan M.; McCabe, Bradley P.; Funk, Tobias; Speidel, Michael A.

2015-01-01

Scanning-Beam Digital X-ray (SBDX) is a technology for low-dose fluoroscopy that employs inverse geometry x-ray beam scanning. To assist with rapid modeling of inverse geometry x-ray systems, we have developed a Monte Carlo (MC) simulation tool based on the MC-GPU framework. MC-GPU version 1.3 was modified to implement a 2D array of focal spot positions on a plane, with individually adjustable x-ray outputs, each producing a narrow x-ray beam directed toward a stationary photon-counting detector array. Geometric accuracy and blurring behavior in tomosynthesis reconstructions were evaluated from simulated images of a 3D arrangement of spheres. The artifact spread function from simulation agreed with experiment to within 1.6% (rRMSD). Detected x-ray scatter fraction was simulated for two SBDX detector geometries and compared to experiments. For the current SBDX prototype (10.6 cm wide by 5.3 cm tall detector), x-ray scatter fraction measured 2.8–6.4% (18.6–31.5 cm acrylic, 100 kV), versus 2.1–4.5% in MC simulation. Experimental trends in scatter versus detector size and phantom thickness were observed in simulation. For dose evaluation, an anthropomorphic phantom was imaged using regular and regional adaptive exposure (RAE) scanning. The reduction in kerma-area-product resulting from RAE scanning was 45% in radiochromic film measurements, versus 46% in simulation. The integral kerma calculated from TLD measurement points within the phantom was 57% lower when using RAE, versus 61% lower in simulation. This MC tool may be used to estimate tomographic blur, detected scatter, and dose distributions when developing inverse geometry x-ray systems. PMID:26113765

Monte Carlo simulation of inverse geometry x-ray fluoroscopy using a modified MC-GPU framework.

PubMed

Dunkerley, David A P; Tomkowiak, Michael T; Slagowski, Jordan M; McCabe, Bradley P; Funk, Tobias; Speidel, Michael A

2015-02-21

Scanning-Beam Digital X-ray (SBDX) is a technology for low-dose fluoroscopy that employs inverse geometry x-ray beam scanning. To assist with rapid modeling of inverse geometry x-ray systems, we have developed a Monte Carlo (MC) simulation tool based on the MC-GPU framework. MC-GPU version 1.3 was modified to implement a 2D array of focal spot positions on a plane, with individually adjustable x-ray outputs, each producing a narrow x-ray beam directed toward a stationary photon-counting detector array. Geometric accuracy and blurring behavior in tomosynthesis reconstructions were evaluated from simulated images of a 3D arrangement of spheres. The artifact spread function from simulation agreed with experiment to within 1.6% (rRMSD). Detected x-ray scatter fraction was simulated for two SBDX detector geometries and compared to experiments. For the current SBDX prototype (10.6 cm wide by 5.3 cm tall detector), x-ray scatter fraction measured 2.8-6.4% (18.6-31.5 cm acrylic, 100 kV), versus 2.1-4.5% in MC simulation. Experimental trends in scatter versus detector size and phantom thickness were observed in simulation. For dose evaluation, an anthropomorphic phantom was imaged using regular and regional adaptive exposure (RAE) scanning. The reduction in kerma-area-product resulting from RAE scanning was 45% in radiochromic film measurements, versus 46% in simulation. The integral kerma calculated from TLD measurement points within the phantom was 57% lower when using RAE, versus 61% lower in simulation. This MC tool may be used to estimate tomographic blur, detected scatter, and dose distributions when developing inverse geometry x-ray systems.

Automated Guideway Ground Transportation Network Simulation

DOT National Transportation Integrated Search

1975-08-01

The report discusses some automated guideway management problems relating to ground transportation systems and provides an outline of the types of models and algorithms that could be used to develop simulation tools for evaluating system performance....

The Advanced Gamma-ray Imaging System (AGIS): Simulation Studies

NASA Astrophysics Data System (ADS)

Fegan, Stephen; Buckley, J. H.; Bugaev, S.; Funk, S.; Konopelko, A.; Maier, G.; Vassiliev, V. V.; Simulation Studies Working Group; AGIS Collaboration

2008-03-01

The Advanced Gamma-ray Imaging System (AGIS) is a concept for the next generation instrument in ground-based very high energy gamma-ray astronomy. It has the goal of achieving significant improvement in sensitivity over current experiments. We present the results of simulation studies of various possible designs for AGIS. The primary characteristics of the array performance, collecting area, angular resolution, background rejection, and sensitivity are discussed.

X-Ray Spectra from MHD Simulations of Accreting Black Holes

NASA Technical Reports Server (NTRS)

Schnittman, Jeremy D.; Krolik, Julian H.; Noble, Scott C.

2012-01-01

We present the results of a new global radiation transport code coupled to a general relativistic magneto-hydrodynamic simulation of an accreting, nonrotating black hole. For the first time, we are able to explain from first principles in a self-consistent way the X-ray spectra observed from stellar-mass black holes, including a thermal peak, Compton reflection hump, power-law tail, and broad iron line. Varying only the mass accretion rate, we are able to reproduce the low/hard, steep power-law, and thermal-dominant states seen in most galactic black hole sources. The temperature in the corona is T(sub e) 10 keV in a boundary layer near the disk and rises smoothly to T(sub e) greater than or approximately 100 keV in low-density regions far above the disk. Even as the disk's reflection edge varies from the horizon out to approximately equal to 6M as the accretion rate decreases, we find that the shape of the Fe Ka line is remarkably constant. This is because photons emitted from the plunging region are strongly beamed into the horizon and never reach the observer. We have also carried out a basic timing analysis of the spectra and find that the fractional variability increases with photon energy and viewer inclination angle, consistent with the coronal hot spot model for X-ray fluctuations.

Cosmic-ray transport in the heliosphere: A global perspective

NASA Astrophysics Data System (ADS)

Florinski, Vladimir

2013-02-01

Earth is shielded from the hazardous galactic radiation in the form or cosmic ray ions by the outwardly flow of the solar wind plasma and by the geomagnetic field. Understanding the effects of the global structure of the heliosphere on the transport of energetic charged particles remains an important challenge in space physics. The expanding bubble of the supersonic solar wind cools the populations of GeV ions that penetrate deeply into the interplanetary space. Beyond the solar wind lies the heliosheath that is believed to act as a long-term storage reservoir for the cosmic rays. The heliosheath and its magnetic field topology play an important role in modulating cosmic rays at large heliocentric distances. Understanding this role is crucial for interpreting the the puzzling Voyager spacecraft observations near the edge of the solar system.

Cosmic Ray Interactions in Shielding Materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aguayo Navarrete, Estanislao; Kouzes, Richard T.; Ankney, Austin S.

2011-09-08

This document provides a detailed study of materials used to shield against the hadronic particles from cosmic ray showers at Earth’s surface. This work was motivated by the need for a shield that minimizes activation of the enriched germanium during transport for the MAJORANA collaboration. The materials suitable for cosmic-ray shield design are materials such as lead and iron that will stop the primary protons, and materials like polyethylene, borated polyethylene, concrete and water that will stop the induced neutrons. The interaction of the different cosmic-ray components at ground level (protons, neutrons, muons) with their wide energy range (from kilo-electronmore » volts to giga-electron volts) is a complex calculation. Monte Carlo calculations have proven to be a suitable tool for the simulation of nucleon transport, including hadron interactions and radioactive isotope production. The industry standard Monte Carlo simulation tool, Geant4, was used for this study. The result of this study is the assertion that activation at Earth’s surface is a result of the neutronic and protonic components of the cosmic-ray shower. The best material to shield against these cosmic-ray components is iron, which has the best combination of primary shielding and minimal secondary neutron production.« less

Three-dimensional Monte-Carlo simulation of gamma-ray scattering and production in the atmosphere

DOE Office of Scientific and Technical Information (OSTI.GOV)

Morris, D.J.

1989-05-15

Monte Carlo codes have been developed to simulate gamma-ray scattering and production in the atmosphere. The scattering code simulates interactions of low-energy gamma rays (20 to several hundred keV) from an astronomical point source in the atmosphere; a modified code also simulates scattering in a spacecraft. Four incident spectra, typical of gamma-ray bursts, solar flares, and the Crab pulsar, and 511 keV line radiation have been studied. These simulations are consistent with observations of solar flare radiation scattered from the atmosphere. The production code simulates the interactions of cosmic rays which produce high-energy (above 10 MeV) photons and electrons. Itmore » has been used to calculate gamma-ray and electron albedo intensities at Palestine, Texas and at the equator; the results agree with observations in most respects. With minor modifications this code can be used to calculate intensities of other high-energy particles. Both codes are fully three-dimensional, incorporating a curved atmosphere; the production code also incorporates the variation with both zenith and azimuth of the incident cosmic-ray intensity due to geomagnetic effects. These effects are clearly reflected in the calculated albedo by intensity contrasts between the horizon and nadir, and between the east and west horizons.« less

X-Ray modeling of η Carinae & WR 140 from SPH simulations

NASA Astrophysics Data System (ADS)

Russell, Christopher M. P.; Corcoran, Michael F.; Okazaki, Atsuo T.; Madura, Thomas I.; Owocki, Stanley P.

2011-07-01

The colliding wind binary (CWB) systems η Carinae and WR140 provide unique laboratories for X-ray astrophysics. Their wind-wind collisions produce hard X-rays that have been monitored extensively by several X-ray telescopes, including RXTE. To interpret these RXTE X-ray light curves, we apply 3D hydrodynamic simulations of the wind-wind collision using smoothed particle hydrodynamics (SPH). We find adiabatic simulations that account for the absorption of X-rays from an assumed point source of X-ray emission at the apex of the wind-collision shock cone can closely match the RXTE light curves of both η Car and WR140. This point-source model can also explain the early recovery of η Car's X-ray light curve from the 2009.0 minimum by a factor of 2-4 reduction in the mass loss rate of η Car. Our more recent models account for the extended emission and absorption along the full wind-wind interaction shock front. For WR140, the computed X-ray light curves again match the RXTE observations quite well. But for η Car, a hot, post-periastron bubble leads to an emission level that does not match the extended X-ray minimum observed by RXTE. Initial results from incorporating radiative cooling and radiative forces via an anti-gravity approach into the SPH code are also discussed.

COSMIC-RAY PITCH-ANGLE SCATTERING IN IMBALANCED MHD TURBULENCE SIMULATIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weidl, Martin S.; Jenko, Frank; Teaca, Bogdan

2015-09-20

Pitch-angle scattering rates for cosmic-ray particles in MHD simulations with imbalanced turbulence are calculated for fully evolving electromagnetic turbulence. We compare with theoretical predictions derived from the quasilinear theory of cosmic-ray diffusion for an idealized slab spectrum and demonstrate how cross helicity affects the shape of the pitch-angle diffusion coefficient. Additional simulations in evolving magnetic fields or static field configurations provide evidence that the scattering anisotropy in imbalanced turbulence is not primarily due to coherence with propagating Alfvén waves, but an effect of the spatial structure of electric fields in cross-helical MHD turbulence.

Simulations of multi-contrast x-ray imaging using near-field speckles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zdora, Marie-Christine; Diamond Light Source, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom and Department of Physics & Astronomy, University College London, London, WC1E 6BT; Thibault, Pierre

2016-01-28

X-ray dark-field and phase-contrast imaging using near-field speckles is a novel technique that overcomes limitations inherent in conventional absorption x-ray imaging, i.e. poor contrast for features with similar density. Speckle-based imaging yields a wealth of information with a simple setup tolerant to polychromatic and divergent beams, and simple data acquisition and analysis procedures. Here, we present a simulation software used to model the image formation with the speckle-based technique, and we compare simulated results on a phantom sample with experimental synchrotron data. Thorough simulation of a speckle-based imaging experiment will help for better understanding and optimising the technique itself.

Photon counting x-ray imaging with K-edge filtered x-rays: A simulation study.

PubMed

Atak, Haluk; Shikhaliev, Polad M

2016-03-01

In photon counting (PC) x-ray imaging and computed tomography (CT), the broad x-ray spectrum can be split into two parts using an x-ray filter with appropriate K-edge energy, which can improve material decomposition. Recent experimental study has demonstrated substantial improvement in material decomposition with PC CT when K-edge filtered x-rays were used. The purpose of the current work was to conduct further investigations of the K-edge filtration method using comprehensive simulation studies. The study was performed in the following aspects: (1) optimization of the K-edge filter for a particular imaging configuration, (2) effects of the K-edge filter parameters on material decomposition, (3) trade-off between the energy bin separation, tube load, and beam quality with K-edge filter, (4) image quality of general (unsubtracted) images when a K-edge filter is used to improve dual energy (DE) subtracted images, and (5) improvements with K-edge filtered x-rays when PC detector has limited energy resolution. The PC x-ray images of soft tissue phantoms with 15 and 30 cm thicknesses including iodine, CaCO3, and soft tissue contrast materials, were simulated. The signal to noise ratio (SNR) of the contrast elements was determined in general and material-decomposed images using K-edge filters with different atomic numbers and thicknesses. The effect of the filter atomic number and filter thickness on energy separation factor and SNR was determined. The boundary conditions for the tube load and halfvalue layer were determined when the K-edge filters are used. The material-decomposed images were also simulated using PC detector with limited energy resolution, and improvements with K-edge filtered x-rays were quantified. The K-edge filters with atomic numbers from 56 to 71 and K-edge energies 37.4-63.4 keV, respectively, can be used for tube voltages from 60 to 150 kVp, respectively. For a particular tube voltage of 120 kVp, the Gd and Ho were the optimal filter materials

An evaluation of transport mode shift policies on transport-related physical activity through simulations based on random forests.

PubMed

Brondeel, Ruben; Kestens, Yan; Chaix, Basile

2017-10-23

Physical inactivity is widely recognized as one of the leading causes of mortality, and transport accounts for a large part of people's daily physical activity. This study develops a simulation approach to evaluate the impact of the Ile-de-France Urban Mobility Plan (2010-2020) on physical activity, under the hypothesis that the intended transport mode shifts are realized. Based on the Global Transport Survey (2010, n = 21,332) and on the RECORD GPS Study (2012-2013, n = 229) from the French capital region of Paris (Ile-de-France), a simulation method was designed and tested. The simulation method used accelerometer data and random forest models to predict the impact of the transport mode shifts anticipated in the Mobility Plan on transport-related moderate-to-vigorous physical activity (T-MVPA). The transport mode shifts include less private motorized trips in favor of more public transport, walking, and biking trips. The simulation model indicated a mean predicted increase of 2 min per day of T-MVPA, in case the intended transport mode shifts in the Ile-de-France Urban Mobility Plan were realized. The positive effect of the transport mode shifts on T-MVPA would, however, be larger for people with a higher level of education. This heterogeneity in the positive effect would further increase the existing inequality in transport-related physical activity by educational level. The method presented in this paper showed a significant increase in transport-related physical activity in case the intended mode shifts in the Ile-de-France Urban Mobility Plan were realized. This simulation method could be applied on other important health outcomes, such as exposure to noise or air pollution, making it a useful tool to anticipate the health impact of transport interventions or policies.

Hydrodynamic Simulation of the Cosmological X-Ray Background

NASA Astrophysics Data System (ADS)

Croft, Rupert A. C.; Di Matteo, Tiziana; Davé, Romeel; Hernquist, Lars; Katz, Neal; Fardal, Mark A.; Weinberg, David H.

2001-08-01

We use a hydrodynamic simulation of an inflationary cold dark matter model with a cosmological constant to predict properties of the extragalactic X-ray background (XRB). We focus on emission from the intergalactic medium (IGM), with particular attention to diffuse emission from warm-hot gas that lies in relatively smooth filamentary structures between galaxies and galaxy clusters. We also include X-rays from point sources associated with galaxies in the simulation, and we make maps of the angular distribution of the emission. Although much of the X-ray luminous gas has a filamentary structure, the filaments are not evident in the simulated maps because of projection effects. In the soft (0.5-2 keV) band, our calculated mean intensity of radiation from intergalactic and cluster gas is 2.3×10-12 ergs-1 cm-2 deg-2, 35% of the total softband emission. This intensity is compatible at the ~1 σ level with estimates of the unresolved soft background intensity from deep ROSAT and Chandra measurements. Only 4% of the hard (2-10 keV) emission is associated with intergalactic gas. Relative to active galactic nuclei flux, the IGM component of the XRB peaks at a lower redshift (median z~0.45) and spans a narrower redshift range, so its clustering makes an important contribution to the angular correlation function of the total emission. The clustering on the scales accessible to our simulation (0.1‧-10') is significant, with an amplitude roughly consistent with an extrapolation of recent ROSAT results to small scales. A cross-correlation analysis of the XRB against nearby galaxies taken from a simulated redshift survey also yields a strong signal from the IGM. Our conclusions about the soft background intensity differ from those of some recent papers that have argued that the expected emission from gas in galaxy, group, and cluster halos would exceed the observed background unless much of the gas is expelled by supernova feedback. We obtain reasonable compatibility with

X-ray optical simulations supporting advanced commissioning of the coherent hard x-ray beamline at NSLS-II

NASA Astrophysics Data System (ADS)

Wiegart, L.; Rakitin, M.; Fluerasu, A.; Chubar, O.

2017-08-01

We present the application of fully- and partially-coherent synchrotron radiation wavefront propagation simulation functions, implemented in the "Synchrotron Radiation Workshop" computer code, to create a `virtual beamline' mimicking the Coherent Hard X-ray scattering beamline at NSLS-II. The beamline simulation includes all optical beamline components, such as the insertion device, mirror with metrology data, slits, double crystal monochromator and refractive focusing elements (compound refractive lenses and kinoform lenses). A feature of this beamline is the exploitation of X-ray beam coherence, boosted by the low-emittance NSLS-II storage-ring, for techniques such as X-ray Photon Correlation Spectroscopy or Coherent Diffraction Imaging. The key performance parameters are the degree of Xray beam coherence and photon flux, and the trade-off between them needs to guide the beamline settings for specific experimental requirements. Simulations of key performance parameters are compared to measurements obtained during beamline commissioning, and include the spectral flux of the undulator source, the degree of transverse coherence as well as focal spot sizes.

High-resolution Monte Carlo simulation of flow and conservative transport in heterogeneous porous media: 2. Transport results

USGS Publications Warehouse

Naff, R.L.; Haley, D.F.; Sudicky, E.A.

1998-01-01

In this, the second of two papers concerned with the use of numerical simulation to examine flow and transport parameters in heterogeneous porous media via Monte Carlo methods, results from the transport aspect of these simulations are reported on. Transport simulations contained herein assume a finite pulse input of conservative tracer, and the numerical technique endeavors to realistically simulate tracer spreading as the cloud moves through a heterogeneous medium. Medium heterogeneity is limited to the hydraulic conductivity field, and generation of this field assumes that the hydraulic-conductivity process is second-order stationary. Methods of estimating cloud moments, and the interpretation of these moments, are discussed. Techniques for estimation of large-time macrodispersivities from cloud second-moment data, and for the approximation of the standard errors associated with these macrodispersivities, are also presented. These moment and macrodispersivity estimation techniques were applied to tracer clouds resulting from transport scenarios generated by specific Monte Carlo simulations. Where feasible, moments and macrodispersivities resulting from the Monte Carlo simulations are compared with first- and second-order perturbation analyses. Some limited results concerning the possible ergodic nature of these simulations, and the presence of non-Gaussian behavior of the mean cloud, are reported on as well.

Gyrokinetic Particle Simulations of Neoclassical Transport

NASA Astrophysics Data System (ADS)

Lin, Zhihong

A time varying weighting (delta f) scheme based on the small gyro-radius ordering is developed and applied to a steady state, multi-species gyrokinetic particle simulation of neoclassical transport. Accurate collision operators conserving momentum and energy are developed and implemented. Benchmark simulation results using these operators are found to agree very well with neoclassical theory. For example, it is dynamically demonstrated that like-particle collisions produce no particle flux and that the neoclassical fluxes are ambipolar for an ion -electron plasma. An important physics feature of the present scheme is the introduction of toroidal flow to the simulations. In agreement with the existing analytical neoclassical theory, ion energy flux is enhanced by the toroidal mass flow and the neoclassical viscosity is a Pfirsch-Schluter factor times the classical viscosity in the banana regime. In addition, the poloidal electric field associated with toroidal mass flow is found to enhance density gradient driven electron particle flux and the bootstrap current while reducing temperature gradient driven flux and current. Modifications of the neoclassical transport by the orbit squeezing effects due to the radial electric field associated with sheared toroidal flow are studied. Simulation results indicate a reduction of both ion thermal flux and neoclassical toroidal rotation. Neoclassical theory in the steep gradient profile regime, where conventional neoclassical theory fails, is examined by taking into account finite banana width effects. The relevance of these studies to interesting experimental conditions in tokamaks is discussed. Finally, the present numerical scheme is extended to general geometry equilibrium. This new formulation will be valuable for the development of new capabilities to address complex equilibria such as advanced stellarator configurations and possibly other alternate concepts for the magnetic confinement of plasmas. In general, the present

Fission prompt gamma-ray multiplicity distribution measurements and simulations at DANCE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chyzh, A; Wu, C Y; Ullmann, J

2010-08-24

The nearly energy independence of the DANCE efficiency and multiplicity response to {gamma} rays makes it possible to measure the prompt {gamma}-ray multiplicity distribution in fission. We demonstrate this unique capability of DANCE through the comparison of {gamma}-ray energy and multiplicity distribution between the measurement and numerical simulation for three radioactive sources {sup 22}Na, {sup 60}Co, and {sup 88}Y. The prospect for measuring the {gamma}-ray multiplicity distribution for both spontaneous and neutron-induced fission is discussed.

The Systematic Interpretation of Cosmic Ray Data (The Transport Project)

NASA Technical Reports Server (NTRS)

Guzik, T. Gregory

1997-01-01

The Transport project's primary goals were to: (1) Provide measurements of critical fragmentation cross sections; (2) Study the cross section systematics; (3) Improve the galactic cosmic ray propagation methodology; and (4) Use the new cross section measurements to improve the interpretation of cosmic ray data. To accomplish these goals a collaboration was formed consisting of researchers in the US at Louisiana State University (LSU), Lawrence Berkeley Laboratory (LBL), Goddard Space Flight Center (GSFC), the University of Minnesota (UM), New Mexico State University (NMSU), in France at the Centre d'Etudes de Saclay and in Italy at the Universita di Catania. The US institutions, lead by LSU, were responsible for measuring new cross sections using the LBL HISS facility, analysis of these measurements and their application to interpreting cosmic ray data. France developed a liquid hydrogen target that was used in the HISS experiment and participated in the data interpretation. Italy developed a Multifunctional Neutron Spectrometer (MUFFINS) for the HISS runs to measure the energy spectra, angular distributions and multiplicities of neutrons emitted during the high energy interactions. The Transport Project was originally proposed to NASA during Summer, 1988 and funding began January, 1989. Transport was renewed twice (1991, 1994) and finally concluded at LSU on September, 30, 1997. During the more than 8 years of effort we had two major experiment runs at LBL, obtained data on the interaction of twenty different beams with a liquid hydrogen target, completed the analysis of fifteen of these datasets obtaining 590 new cross section measurements, published nine journal articles as well as eighteen conference proceedings papers, and presented more than thirty conference talks.

New Solution of Diffusion-Advection Equation for Cosmic-Ray Transport Using Ultradistributions

NASA Astrophysics Data System (ADS)

Rocca, M. C.; Plastino, A. R.; Plastino, A.; Ferri, G. L.; de Paoli, A.

2015-11-01

In this paper we exactly solve the diffusion-advection equation (DAE) for cosmic-ray transport. For such a purpose we use the Theory of Ultradistributions of J. Sebastiao e Silva, to give a general solution for the DAE. From the ensuing solution, we obtain several approximations as limiting cases of various situations of physical and astrophysical interest. One of them involves Solar cosmic-rays' diffusion.

Simulation and experimental verification of prompt gamma-ray emissions during proton irradiation.

PubMed

Schumann, A; Petzoldt, J; Dendooven, P; Enghardt, W; Golnik, C; Hueso-González, F; Kormoll, T; Pausch, G; Roemer, K; Fiedler, F

2015-05-21

Irradiation with protons and light ions offers new possibilities for tumor therapy but has a strong need for novel imaging modalities for treatment verification. The development of new detector systems, which can provide an in vivo range assessment or dosimetry, requires an accurate knowledge of the secondary radiation field and reliable Monte Carlo simulations. This paper presents multiple measurements to characterize the prompt γ-ray emissions during proton irradiation and benchmarks the latest Geant4 code against the experimental findings. Within the scope of this work, the total photon yield for different target materials, the energy spectra as well as the γ-ray depth profile were assessed. Experiments were performed at the superconducting AGOR cyclotron at KVI-CART, University of Groningen. Properties of the γ-ray emissions were experimentally determined. The prompt γ-ray emissions were measured utilizing a conventional HPGe detector system (Clover) and quantitatively compared to simulations. With the selected physics list QGSP_BIC_HP, Geant4 strongly overestimates the photon yield in most cases, sometimes up to 50%. The shape of the spectrum and qualitative occurrence of discrete γ lines is reproduced accurately. A sliced phantom was designed to determine the depth profile of the photons. The position of the distal fall-off in the simulations agrees with the measurements, albeit the peak height is also overestimated. Hence, Geant4 simulations of prompt γ-ray emissions from irradiation with protons are currently far less reliable as compared to simulations of the electromagnetic processes. Deviations from experimental findings were observed and quantified. Although there has been a constant improvement of Geant4 in the hadronic sector, there is still a gap to close.

Numerical simulation of MPD thruster flows with anomalous transport

NASA Technical Reports Server (NTRS)

Caldo, Giuliano; Choueiri, Edgar Y.; Kelly, Arnold J.; Jahn, Robert G.

1992-01-01

Anomalous transport effects in an Ar self-field coaxial MPD thruster are presently studied by means of a fully 2D two-fluid numerical code; its calculations are extended to a range of typical operating conditions. An effort is made to compare the spatial distribution of the steady state flow and field properties and thruster power-dissipation values for simulation runs with and without anomalous transport. A conductivity law based on the nonlinear saturation of lower hybrid current-driven instability is used for the calculations. Anomalous-transport simulation runs have indicated that the resistivity in specific areas of the discharge is significantly higher than that calculated in classical runs.

Simulating the X-Ray Image Contrast to Set-Up Techniques with Desired Flaw Detectability

NASA Technical Reports Server (NTRS)

Koshti, Ajay M.

2015-01-01

The paper provides simulation data of previous work by the author in developing a model for estimating detectability of crack-like flaws in radiography. The methodology is being developed to help in implementation of NASA Special x-ray radiography qualification, but is generically applicable to radiography. The paper describes a method for characterizing X-ray detector resolution for crack detection. Applicability of ASTM E 2737 resolution requirements to the model are also discussed. The paper describes a model for simulating the detector resolution. A computer calculator application, discussed here, also performs predicted contrast and signal-to-noise ratio calculations. Results of various simulation runs in calculating x-ray flaw size parameter and image contrast for varying input parameters such as crack depth, crack width, part thickness, x-ray angle, part-to-detector distance, part-to-source distance, source sizes, and detector sensitivity and resolution are given as 3D surfaces. These results demonstrate effect of the input parameters on the flaw size parameter and the simulated image contrast of the crack. These simulations demonstrate utility of the flaw size parameter model in setting up x-ray techniques that provide desired flaw detectability in radiography. The method is applicable to film radiography, computed radiography, and digital radiography.

Comparing TID simulations using 3-D ray tracing and mirror reflection

NASA Astrophysics Data System (ADS)

Huang, X.; Reinisch, B. W.; Sales, G. S.; Paznukhov, V. V.; Galkin, I. A.

2016-04-01

Measuring the time variations of Doppler frequencies and angles of arrival (AoA) of ionospherically reflected HF waves has been proposed as a means of detecting the occurrence of traveling ionospheric disturbances (TIDs). Simulations are made using ray tracing through the International Reference Ionosphere (IRI) electron density model in an effort to reproduce measured signatures. The TID is represented by a wavelike perturbation of the 3-D electron density traveling horizontally in the ionosphere with an amplitude that varies sinusoidally with time. By judiciously selecting the TID parameters the ray tracing simulation reproduces the observed Doppler frequencies and AoAs. Ray tracing in a 3-D realistic ionosphere is, however, excessively time consuming considering the involved homing procedures. It is shown that a carefully selected reflecting corrugated mirror can reproduce the time variations of the AoA and Doppler frequency. The results from the ray tracing through the IRI model ionosphere and the mirror model reflections are compared to assess the applicability of the mirror-reflection model.

Comparison of distributed acceleration and standard models of cosmic-ray transport

NASA Technical Reports Server (NTRS)

Letaw, J. R.; Silberberg, R.; Tsao, C. H.

1995-01-01

Recent cosmic-ray abundance measurements for elements in the range 3 less than or equal to Z less than or equal to 28 and energies 10 MeV/n less than or equal to E less than or equal to 1 TeV/n have been analyzed with computer transport modeling. About 500 elemental and isotopic measurements have been explored in this analysis. The transport code includes the effects of ionization losses, nuclear spallation reactions (including those of secondaries), all nuclear decay modes, stripping and attachment of electrons, escape from the Galaxy, weak reacceleration and solar modulation. Four models of reacceleration (with several submodels of various reacceleration strengths) were explored. A chi (exp 2) analysis show that the reacceleration models yield at least equally good fits to the data as the standard propagation model. However, with reacceleration, the ad hoc assumptions of the standard model regarding discontinuities in the energy dependence of the mean path length traversed by cosmic rays, and in the momentum spectrum of the cosmic-ray source spectrum are eliminated. Futhermore, the difficulty between rigidity dependent leakage and energy independent anisotropy below energies of 10(exp 14) eV is alleviated.

Simulating the x-ray image contrast to setup techniques with desired flaw detectability

NASA Astrophysics Data System (ADS)

Koshti, Ajay M.

2015-04-01

The paper provides simulation data of previous work by the author in developing a model for estimating detectability of crack-like flaws in radiography. The methodology is developed to help in implementation of NASA Special x-ray radiography qualification, but is generically applicable to radiography. The paper describes a method for characterizing the detector resolution. Applicability of ASTM E 2737 resolution requirements to the model are also discussed. The paper describes a model for simulating the detector resolution. A computer calculator application, discussed here, also performs predicted contrast and signal-to-noise ratio calculations. Results of various simulation runs in calculating x-ray flaw size parameter and image contrast for varying input parameters such as crack depth, crack width, part thickness, x-ray angle, part-to-detector distance, part-to-source distance, source sizes, and detector sensitivity and resolution are given as 3D surfaces. These results demonstrate effect of the input parameters on the flaw size parameter and the simulated image contrast of the crack. These simulations demonstrate utility of the flaw size parameter model in setting up x-ray techniques that provide desired flaw detectability in radiography. The method is applicable to film radiography, computed radiography, and digital radiography.

Gamma ray observatory dynamics simulator in Ada (GRODY)

NASA Technical Reports Server (NTRS)

1990-01-01

This experiment involved the parallel development of dynamics simulators for the Gamma Ray Observatory in both FORTRAN and Ada for the purpose of evaluating the applicability of Ada to the NASA/Goddard Space Flight Center's flight dynamics environment. The experiment successfully demonstrated that Ada is a viable, valuable technology for use in this environment. In addition to building a simulator, the Ada team evaluated training approaches, developed an Ada methodology appropriate to the flight dynamics environment, and established a baseline for evaluating future Ada projects.

Advances in X-Ray Simulator Technology

DTIC Science & Technology

1995-07-01

d’Etudes de Gramat ; I. Vitkovitsky, Logicon RDA INTRODUCTION DNA’s future x-ray simulators are based upon inductive energy storage, a technology which...switch. SYRINX, a proposed design to be built by the Centre d’Etudes de Gramat (CEG) in France would employ a modular approach, possibly with a...called SYRINX, would be built at the Centred’ Etudes de Gramat (CEG). It would employ a modular.long conduction time current source to drive a PRS

Solving wood chip transport problems with computer simulation.

Treesearch

Dennis P. Bradley; Sharon A. Winsauer

1976-01-01

Efficient chip transport operations are difficult to achieve due to frequent and often unpredictable changes in distance to market, chipping rate, time spent at the mill, and equipment costs. This paper describes a computer simulation model that allows a logger to design an efficient transport system in response to these changing factors.

X-ray Modeling of η Carinae & WR140 from SPH Simulations

NASA Astrophysics Data System (ADS)

Russell, Christopher M. P.; Corcoran, Michael F.; Okazaki, Atsuo T.; Madura, Thomas I.; Owocki, Stanley P.

2011-01-01

The colliding wind binary (CWB) systems η Carinae and WR140 provide unique laboratories for X-ray astrophysics. Their wind-wind collisions produce hard X-rays that have been monitored extensively by several X-ray telescopes, including RXTE. To interpret these RXTE X-ray light curves, we model the wind-wind collision using 3D smoothed particle hydrodynamics (SPH) simulations. Adiabatic simulations that account for the emission and absorption of X-rays from an assumed point source at the apex of the wind-collision shock cone by the distorted winds can closely match the observed 2-10keV RXTE light curves of both η Car and WR140. This point-source model can also explain the early recovery of η Car's X-ray light curve from the 2009.0 minimum by a factor of 2-4 reduction in the mass loss rate of η Car. Our more recent models relax the point-source approximation and account for the spatially extended emission along the wind-wind interaction shock front. For WR140, the computed X-ray light curve again matches the RXTE observations quite well. But for η Car, a hot, post-periastron bubble leads to an emission level that does not match the extended X-ray minimum observed by RXTE. Initial results from incorporating radiative cooling and radiatively-driven wind acceleration via a new anti-gravity approach into the SPH code are also discussed.

Sources and Transportation of Bulk, Low-Cost Lunar Simulant Materials

NASA Technical Reports Server (NTRS)

Rickman, D. L.

2013-01-01

Marshall Space Flight Center (MSFC) has built the Lunar Surface Testbed using 200 tons of volcanic cinder and ash from the same source used for the simulant series JSC-1. This Technical Memorandum examines the alternatives examined for transportation and source. The cost of low-cost lunar simulant is driven by the cost of transportation, which is controlled by distance and, to a lesser extent, quantity. Metabasalts in the eastern United States were evaluated due to their proximity to MSFC. Volcanic cinder deposits in New Mexico, Colorado, and Arizona were recognized as preferred sources. In addition to having fewer green, secondary minerals, they contain vesicular glass, both of which are desirable. Transportation costs were more than 90% of the total procurement costs for the simulant material.

Simulation of charge transport in ion channels and nanopores with anisotropic permittivity

PubMed Central

Mashl, R. Jay; Lee, Kyu Il; Jakobsson, Eric; Ravaioli, Umberto

2010-01-01

Ion channels are part of nature's solution for regulating biological environments. Every ion channel consists of a chain of amino acids carrying a strong and sharply varying permanent charge, folded in such a way that it creates a nanoscopic aqueous pore spanning the otherwise mostly impermeable membranes of biological cells. These naturally occurring proteins are particularly interesting to device engineers seeking to understand how such nanoscale systems realize device-like functions. Availability of high-resolution structural information from X-ray crystallography, as well as large-scale computational resources, makes it possible to conduct realistic ion channel simulations. In general, a hierarchy of simulation methodologies is needed to study different aspects of a biological system like ion channels. Biology Monte Carlo (BioMOCA), a three-dimensional coarse-grained particle ion channel simulator, offers a powerful and general approach to study ion channel permeation. BioMOCA is based on the Boltzmann Transport Monte Carlo (BTMC) and Particle-Particle-Particle-Mesh (P3M) methodologies developed at the University of Illinois at Urbana-Champaign. In this paper we briefly discuss the various approaches to simulating ion flow in channel systems that are currently being pursued by the biophysics and engineering communities, and present the effect of having anisotropic dielectric constants on ion flow through a number of nanopores with different effective diameters. PMID:20445807

An Efficient Ray-Tracing Method for Determining Terrain Intercepts in EDL Simulations

NASA Technical Reports Server (NTRS)

Shidner, Jeremy D.

2016-01-01

The calculation of a ray's intercept from an arbitrary point in space to a prescribed surface is a common task in computer simulations. The arbitrary point often represents an object that is moving according to the simulation, while the prescribed surface is fixed in a defined frame. For detailed simulations, this surface becomes complex, taking the form of real-world objects such as mountains, craters or valleys which require more advanced methods to accurately calculate a ray's intercept location. Incorporation of these complex surfaces has commonly been implemented in graphics systems that utilize highly optimized graphics processing units to analyze such features. This paper proposes a simplified method that does not require computationally intensive graphics solutions, but rather an optimized ray-tracing method for an assumed terrain dataset. This approach was developed for the Mars Science Laboratory mission which landed on the complex terrain of Gale Crater. First, this paper begins with a discussion of the simulation used to implement the model and the applicability of finding surface intercepts with respect to atmosphere modeling, altitude determination, radar modeling, and contact forces influencing vehicle dynamics. Next, the derivation and assumptions of the intercept finding method are presented. Key assumptions are noted making the routines specific to only certain types of surface data sets that are equidistantly spaced in longitude and latitude. The derivation of the method relies on ray-tracing, requiring discussion on the formulation of the ray with respect to the terrain datasets. Further discussion includes techniques for ray initialization in order to optimize the intercept search. Then, the model implementation for various new applications in the simulation are demonstrated. Finally, a validation of the accuracy is presented along with the corresponding data sets used in the validation. A performance summary of the method will be shown using

Verification technology of remote sensing camera satellite imaging simulation based on ray tracing

NASA Astrophysics Data System (ADS)

Gu, Qiongqiong; Chen, Xiaomei; Yang, Deyun

2017-08-01

Remote sensing satellite camera imaging simulation technology is broadly used to evaluate the satellite imaging quality and to test the data application system. But the simulation precision is hard to examine. In this paper, we propose an experimental simulation verification method, which is based on the test parameter variation comparison. According to the simulation model based on ray-tracing, the experiment is to verify the model precision by changing the types of devices, which are corresponding the parameters of the model. The experimental results show that the similarity between the imaging model based on ray tracing and the experimental image is 91.4%, which can simulate the remote sensing satellite imaging system very well.

Large-eddy simulation of human-induced contaminant transport in room compartments.

PubMed

Choi, J-I; Edwards, J R

2012-02-01

A large-eddy simulation is used to investigate contaminant transport owing to complex human and door motions and vent-system activity in room compartments where a contaminated and clean room are connected by a vestibule. Human and door motions are simulated with an immersed boundary procedure. We demonstrate the details of contaminant transport owing to human- and door-motion-induced wake development during a short-duration event involving the movement of a person (or persons) from a contaminated room, through a vestibule, into a clean room. Parametric studies that capture the effects of human walking pattern, door operation, over-pressure level, and vestibule size are systematically conducted. A faster walking speed results in less mass transport from the contaminated room into the clean room. The net effect of increasing the volume of the vestibule is to reduce the contaminant transport. The results show that swinging-door motion is the dominant transport mechanism and that human-induced wake motion enhances compartment-to-compartment transport. The effect of human activity on contaminant transport may be important in design and operation of clean or isolation rooms in chemical or pharmaceutical industries and intensive care units for airborne infectious disease control in a hospital. The present simulations demonstrate details of contaminant transport in such indoor environments during human motion events and show that simulation-based sensitivity analysis can be utilized for the diagnosis of contaminant infiltration and for better environmental protection. © 2011 John Wiley & Sons A/S.

X-ray simulations method for the large field of view

NASA Astrophysics Data System (ADS)

Schelokov, I. A.; Grigoriev, M. V.; Chukalina, M. V.; Asadchikov, V. E.

2018-03-01

In the standard approach, X-ray simulation is usually limited to the step of spatial sampling to calculate the convolution of integrals of the Fresnel type. Explicitly the sampling step is determined by the size of the last Fresnel zone in the beam aperture. In other words, the spatial sampling is determined by the precision of integral convolution calculations and is not connected with the space resolution of an optical scheme. In the developed approach the convolution in the normal space is replaced by computations of the shear strain of ambiguity function in the phase space. The spatial sampling is then determined by the space resolution of an optical scheme. The sampling step can differ in various directions because of the source anisotropy. The approach was used to simulate original images in the X-ray Talbot interferometry and showed that the simulation can be applied to optimize the methods of postprocessing.

Simulation of the Interactions Between Gamma-Rays and Detectors Using BSIMUL

NASA Technical Reports Server (NTRS)

Haywood, S. E.; Rester, A. C., Jr.

1996-01-01

Progress made during 1995 on the Monte-Carlo gamma-ray spectrum simulation program BSIMUL is discussed. Several features have been added, including the ability to model shield that are tapered cylinders. Several simulations were made on the Near Earth Asteroid Rendezvous detector.

The Advanced Gamma-ray Imaging System (AGIS)-Simulation Studies

NASA Astrophysics Data System (ADS)

Maier, G.; Buckley, J.; Bugaev, V.; Fegan, S.; Funk, S.; Konopelko, A.; Vassiliev, V. V.

2008-12-01

The Advanced Gamma-ray Imaging System (AGIS) is a US-led concept for a next-generation instrument in ground-based very-high-energy gamma-ray astronomy. The most important design requirement for AGIS is a sensitivity of about 10 times greater than current observatories like Veritas, H.E.S.S or MAGIC. We present results of simulation studies of various possible designs for AGIS. The primary characteristics of the array performance, collecting area, angular resolution, background rejection, and sensitivity are discussed.

Reactive transport codes for subsurface environmental simulation

DOE PAGES

Steefel, C. I.; Appelo, C. A. J.; Arora, B.; ...

2014-09-26

A general description of the mathematical and numerical formulations used in modern numerical reactive transport codes relevant for subsurface environmental simulations is presented. The formulations are followed by short descriptions of commonly used and available subsurface simulators that consider continuum representations of flow, transport, and reactions in porous media. These formulations are applicable to most of the subsurface environmental benchmark problems included in this special issue. The list of codes described briefly here includes PHREEQC, HPx, PHT3D, OpenGeoSys (OGS), HYTEC, ORCHESTRA, TOUGHREACT, eSTOMP, HYDROGEOCHEM, CrunchFlow, MIN3P, and PFLOTRAN. The descriptions include a high-level list of capabilities for each of themore » codes, along with a selective list of applications that highlight their capabilities and historical development.« less

Kinetic modeling of x-ray laser-driven solid Al plasmas via particle-in-cell simulation

NASA Astrophysics Data System (ADS)

Royle, R.; Sentoku, Y.; Mancini, R. C.; Paraschiv, I.; Johzaki, T.

2017-06-01

Solid-density plasmas driven by intense x-ray free-electron laser (XFEL) radiation are seeded by sources of nonthermal photoelectrons and Auger electrons that ionize and heat the target via collisions. Simulation codes that are commonly used to model such plasmas, such as collisional-radiative (CR) codes, typically assume a Maxwellian distribution and thus instantaneous thermalization of the source electrons. In this study, we present a detailed description and initial applications of a collisional particle-in-cell code, picls, that has been extended with a self-consistent radiation transport model and Monte Carlo models for photoionization and K L L Auger ionization, enabling the fully kinetic simulation of XFEL-driven plasmas. The code is used to simulate two experiments previously performed at the Linac Coherent Light Source investigating XFEL-driven solid-density Al plasmas. It is shown that picls-simulated pulse transmissions using the Ecker-Kröll continuum-lowering model agree much better with measurements than do simulations using the Stewart-Pyatt model. Good quantitative agreement is also found between the time-dependent picls results and those of analogous simulations by the CR code scfly, which was used in the analysis of the experiments to accurately reproduce the observed K α emissions and pulse transmissions. Finally, it is shown that the effects of the nonthermal electrons are negligible for the conditions of the particular experiments under investigation.

A 3D simulation look-up library for real-time airborne gamma-ray spectroscopy

NASA Astrophysics Data System (ADS)

Kulisek, Jonathan A.; Wittman, Richard S.; Miller, Erin A.; Kernan, Warnick J.; McCall, Jonathon D.; McConn, Ron J.; Schweppe, John E.; Seifert, Carolyn E.; Stave, Sean C.; Stewart, Trevor N.

2018-01-01

A three-dimensional look-up library consisting of simulated gamma-ray spectra was developed to leverage, in real-time, the abundance of data provided by a helicopter-mounted gamma-ray detection system consisting of 92 CsI-based radiation sensors and exhibiting a highly angular-dependent response. We have demonstrated how this library can be used to help effectively estimate the terrestrial gamma-ray background, develop simulated flight scenarios, and to localize radiological sources. Source localization accuracy was significantly improved, particularly for weak sources, by estimating the entire gamma-ray spectra while accounting for scattering in the air, and especially off the ground.

Monte-Carlo Estimation of the Inflight Performance of the GEMS Satellite X-Ray Polarimeter

NASA Technical Reports Server (NTRS)

Kitaguchi, Takao; Tamagawa, Toru; Hayato, Asami; Enoto, Teruaki; Yoshikawa, Akifumi; Kaneko, Kenta; Takeuchi, Yoko; Black, Kevin; Hill, Joanne; Jahoda, Keith;

Monte-Carlo estimation of the inflight performance of the GEMS satellite x-ray polarimeter

NASA Astrophysics Data System (ADS)

Kitaguchi, Takao; Tamagawa, Toru; Hayato, Asami; Enoto, Teruaki; Yoshikawa, Akifumi; Kaneko, Kenta; Takeuchi, Yoko; Black, Kevin; Hill, Joanne; Jahoda, Keith; Krizmanic, John; Sturner, Steven; Griffiths, Scott; Kaaret, Philip; Marlowe, Hannah

2014-07-01

We report a Monte-Carlo estimation of the in-orbit performance of a cosmic X-ray polarimeter designed to be installed on the focal plane of a small satellite. The simulation uses GEANT for the transport of photons and energetic particles and results from Magboltz for the transport of secondary electrons in the detector gas. We validated the simulation by comparing spectra and modulation curves with actual data taken with radioactive sources and an X-ray generator. We also estimated the in-orbit background induced by cosmic radiation in low Earth orbit.

A dual-porosity model for simulating solute transport in oil shale

USGS Publications Warehouse

Glover, K.C.

1987-01-01

A model is described for simulating three-dimensional groundwater flow and solute transport in oil shale and associated geohydrologic units. The model treats oil shale as a dual-porosity medium by simulating flow and transport within fractures using the finite-element method. Diffusion of solute between fractures and the essentially static water of the shale matrix is simulated by including an analytical solution that acts as a source-sink term to the differential equation of solute transport. While knowledge of fracture orientation and spacing is needed to effectively use the model, it is not necessary to map the locations of individual fractures. The computer program listed in the report incorporates many of the features of previous dual-porosity models while retaining a practical approach to solving field problems. As a result the theory of solute transport is not extended in any appreciable way. The emphasis is on bringing together various aspects of solute transport theory in a manner that is particularly suited to the unusual groundwater flow and solute transport characteristics of oil shale systems. (Author 's abstract)

TEMPEST simulations of the plasma transport in a single-null tokamak geometry

NASA Astrophysics Data System (ADS)

Xu, X. Q.; Bodi, K.; Cohen, R. H.; Krasheninnikov, S.; Rognlien, T. D.

2010-06-01

We present edge kinetic ion transport simulations of tokamak plasmas in magnetic divertor geometry using the fully nonlinear (full-f) continuum code TEMPEST. Besides neoclassical transport, a term for divergence of anomalous kinetic radial flux is added to mock up the effect of turbulent transport. To study the relative roles of neoclassical and anomalous transport, TEMPEST simulations were carried out for plasma transport and flow dynamics in a single-null tokamak geometry, including the pedestal region that extends across the separatrix into the scrape-off layer and private flux region. A series of TEMPEST simulations were conducted to investigate the transition of midplane pedestal heat flux and flow from the neoclassical to the turbulent limit and the transition of divertor heat flux and flow from the kinetic to the fluid regime via an anomalous transport scan and a density scan. The TEMPEST simulation results demonstrate that turbulent transport (as modelled by large diffusion) plays a similar role to collisional decorrelation of particle orbits and that the large turbulent transport (large diffusion) leads to an apparent Maxwellianization of the particle distribution. We also show the transition of parallel heat flux and flow at the entrance to the divertor plates from the fluid to the kinetic regime. For an absorbing divertor plate boundary condition, a non-half-Maxwellian is found due to the balance between upstream radial anomalous transport and energetic ion endloss.

Ab initio simulation of diffractometer instrumental function for high-resolution X-ray diffraction1

PubMed Central

Mikhalychev, Alexander; Benediktovitch, Andrei; Ulyanenkova, Tatjana; Ulyanenkov, Alex

2015-01-01

Modeling of the X-ray diffractometer instrumental function for a given optics configuration is important both for planning experiments and for the analysis of measured data. A fast and universal method for instrumental function simulation, suitable for fully automated computer realization and describing both coplanar and noncoplanar measurement geometries for any combination of X-ray optical elements, is proposed. The method can be identified as semi-analytical backward ray tracing and is based on the calculation of a detected signal as an integral of X-ray intensities for all the rays reaching the detector. The high speed of calculation is provided by the expressions for analytical integration over the spatial coordinates that describe the detection point. Consideration of the three-dimensional propagation of rays without restriction to the diffraction plane provides the applicability of the method for noncoplanar geometry and the accuracy for characterization of the signal from a two-dimensional detector. The correctness of the simulation algorithm is checked in the following two ways: by verifying the consistency of the calculated data with the patterns expected for certain simple limiting cases and by comparing measured reciprocal-space maps with the corresponding maps simulated by the proposed method for the same diffractometer configurations. Both kinds of tests demonstrate the agreement of the simulated instrumental function shape with the measured data. PMID:26089760

CosApps: Simulate gravitational lensing through ray tracing and shear calculation

NASA Astrophysics Data System (ADS)

Coss, David

2017-12-01

Cosmology Applications (CosApps) provides tools to simulate gravitational lensing using two different techniques, ray tracing and shear calculation. The tool ray_trace_ellipse calculates deflection angles on a grid for light passing a deflecting mass distribution. Using MPI, ray_trace_ellipse may calculate deflection in parallel across network connected computers, such as cluster. The program physcalc calculates the gravitational lensing shear using the relationship of convergence and shear, described by a set of coupled partial differential equations.

Simulation of Forward and Inverse X-ray Scattering From Shocked Materials

NASA Astrophysics Data System (ADS)

Barber, John; Marksteiner, Quinn; Barnes, Cris

2012-02-01

The next generation of high-intensity, coherent light sources should generate sufficient brilliance to perform in-situ coherent x-ray diffraction imaging (CXDI) of shocked materials. In this work, we present beginning-to-end simulations of this process. This includes the calculation of the partially-coherent intensity profiles of self-amplified stimulated emission (SASE) x-ray free electron lasers (XFELs), as well as the use of simulated, shocked molecular-dynamics-based samples to predict the evolution of the resulting diffraction patterns. In addition, we will explore the corresponding inverse problem by performing iterative phase retrieval to generate reconstructed images of the simulated sample. The development of these methods in the context of materials under extreme conditions should provide crucial insights into the design and capabilities of shocked in-situ imaging experiments.

Rapid methods for radionuclide contaminant transport in nuclear fuel cycle simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huff, Kathryn

Here, nuclear fuel cycle and nuclear waste disposal decisions are technologically coupled. However, current nuclear fuel cycle simulators lack dynamic repository performance analysis due to the computational burden of high-fidelity hydrolgic contaminant transport models. The Cyder disposal environment and repository module was developed to fill this gap. It implements medium-fidelity hydrologic radionuclide transport models to support assessment appropriate for fuel cycle simulation in the Cyclus fuel cycle simulator. Rapid modeling of hundreds of discrete waste packages in a geologic environment is enabled within this module by a suite of four closed form models for advective, dispersive, coupled, and idealized con-more » taminant transport: a Degradation Rate model, a Mixed Cell model, a Lumped Parameter model, and a 1-D Permeable Porous Medium model. A summary of the Cyder module, its timestepping algorithm, and the mathematical models implemented within it are presented. Additionally, parametric demonstrations simulations performed with Cyder are presented and shown to demonstrate functional agreement with parametric simulations conducted in a standalone hydrologic transport model, the Clay Generic Disposal System Model developed by the Used Fuel Disposition Campaign Department of Energy Office of Nuclear Energy.« less

Rapid methods for radionuclide contaminant transport in nuclear fuel cycle simulation

DOE PAGES

Huff, Kathryn

2017-08-01

Here, nuclear fuel cycle and nuclear waste disposal decisions are technologically coupled. However, current nuclear fuel cycle simulators lack dynamic repository performance analysis due to the computational burden of high-fidelity hydrolgic contaminant transport models. The Cyder disposal environment and repository module was developed to fill this gap. It implements medium-fidelity hydrologic radionuclide transport models to support assessment appropriate for fuel cycle simulation in the Cyclus fuel cycle simulator. Rapid modeling of hundreds of discrete waste packages in a geologic environment is enabled within this module by a suite of four closed form models for advective, dispersive, coupled, and idealized con-more » taminant transport: a Degradation Rate model, a Mixed Cell model, a Lumped Parameter model, and a 1-D Permeable Porous Medium model. A summary of the Cyder module, its timestepping algorithm, and the mathematical models implemented within it are presented. Additionally, parametric demonstrations simulations performed with Cyder are presented and shown to demonstrate functional agreement with parametric simulations conducted in a standalone hydrologic transport model, the Clay Generic Disposal System Model developed by the Used Fuel Disposition Campaign Department of Energy Office of Nuclear Energy.« less

Fast simulation of Proton Induced X-Ray Emission Tomography using CUDA

NASA Astrophysics Data System (ADS)

Beasley, D. G.; Marques, A. C.; Alves, L. C.; da Silva, R. C.

2013-07-01

A new 3D Proton Induced X-Ray Emission Tomography (PIXE-T) and Scanning Transmission Ion Microscopy Tomography (STIM-T) simulation software has been developed in Java and uses NVIDIA™ Common Unified Device Architecture (CUDA) to calculate the X-ray attenuation for large detector areas. A challenge with PIXE-T is to get sufficient counts while retaining a small beam spot size. Therefore a high geometric efficiency is required. However, as the detector solid angle increases the calculations required for accurate reconstruction of the data increase substantially. To overcome this limitation, the CUDA parallel computing platform was used which enables general purpose programming of NVIDIA graphics processing units (GPUs) to perform computations traditionally handled by the central processing unit (CPU). For simulation performance evaluation, the results of a CPU- and a CUDA-based simulation of a phantom are presented. Furthermore, a comparison with the simulation code in the PIXE-Tomography reconstruction software DISRA (A. Sakellariou, D.N. Jamieson, G.J.F. Legge, 2001) is also shown. Compared to a CPU implementation, the CUDA based simulation is approximately 30× faster.

Focal plane transport assembly for the HEAO-B X-ray telescope

NASA Technical Reports Server (NTRS)

Brissette, R.; Allard, P. D.; Keller, F.; Strizhak, E.; Wester, E.

1979-01-01

The High Energy Astronomy Observatory - Mission B (HEAO-B), an earth orbiting X-ray telescope facility capable of locating and imaging celestial X-ray sources within one second of arc in the celestial sphere, is considered. The Focal Plane Transport Assembly (FPTA) is one of the basic structural elements of the three thousand pound HEAO-B experiment payload. The FPTA is a multifunctional assembly which supports seven imaging X-ray detectors circumferentially about a central shaft and accurately positions any particular one into the focus of a high resolution mirror assembly. A drive system, position sensor, rotary coupler, and detent alignment system, all an integral part of the rotatable portion which in turn is supported by main bearings to the stationary focal plane housing are described.

Simulations of the Formation and Evolution of X-ray Clusters

NASA Astrophysics Data System (ADS)

Bryan, G. L.; Klypin, A.; Norman, M. L.

1994-05-01

We describe results from a set of Omega = 1 Cold plus Hot Dark Matter (CHDM) and Cold Dark Matter (CDM) simulations. We examine the formation and evolution of X-ray clusters in a cosmological setting with sufficient numbers to perform statistical analysis. We find that CDM, normalized to COBE, seems to produce too many large clusters, both in terms of the luminosity (dn/dL) and temperature (dn/dT) functions. The CHDM simulation produces fewer clusters and the temperature distribution (our numerically most secure result) matches observations where they overlap. The computed cluster luminosity function drops below observations, but we are almost surely underestimating the X-ray luminosity. Because of the lower fluctuations in CHDM, there are only a small number of bright clusters in our simulation volume; however we can use the simulated clusters to fix the relation between temperature and velocity dispersion, allowing us to use collisionless N-body codes to probe larger length scales with correspondingly brighter clusters. The hydrodynamic simulations have been performed with a hybrid particle-mesh scheme for the dark matter and a high resolution grid-based piecewise parabolic method for the adiabatic gas dynamics. This combination has been implemented for massively parallel computers, allowing us to achive grids as large as 512(3) .

Computer Simulations of Ion Transport in Polymer Electrolyte Membranes.

PubMed

Mogurampelly, Santosh; Borodin, Oleg; Ganesan, Venkat

2016-06-07

Understanding the mechanisms and optimizing ion transport in polymer membranes have been the subject of active research for more than three decades. We present an overview of the progress and challenges involved with the modeling and simulation aspects of the ion transport properties of polymer membranes. We are concerned mainly with atomistic and coarser level simulation studies and discuss some salient work in the context of pure binary and single ion conducting polymer electrolytes, polymer nanocomposites, block copolymers, and ionic liquid-based hybrid electrolytes. We conclude with an outlook highlighting future directions.

Gamma-ray spectroscopy measurements and simulations for uranium mining

NASA Astrophysics Data System (ADS)

Marchais, T.; Pérot, B.; Carasco, C.; Allinei, P.-G.; Chaussonnet, P.; Ma, J.-L.; Toubon, H.

2018-01-01

AREVA Mines and the Nuclear Measurement Laboratory of CEA Cadarache are collaborating to improve the sensitivity and precision of uranium concentration evaluation by means of gamma measurements. This paper reports gamma-ray spectra, recorded with a high-purity coaxial germanium detector, on standard cement blocks with increasing uranium content, and the corresponding MCNP simulations. The detailed MCNP model of the detector and experimental setup has been validated by calculation vs. experiment comparisons. An optimization of the detector MCNP model is presented in this paper, as well as a comparison of different nuclear data libraries to explain missing or exceeding peaks in the simulation. Energy shifts observed between the fluorescence X-rays produced by MCNP and atomic data are also investigated. The qualified numerical model will be used in further studies to develop new gamma spectroscopy approaches aiming at reducing acquisition times, especially for ore samples with low uranium content.

Simulation of High Energy Emission from Gamma-Ray Bursts

NASA Astrophysics Data System (ADS)

Ziaeepour, Houri

Gamma-Ray Bursts (GRBs) are the must violent explosions after the Big-Bang. Their high energy radiation can potentially carry information about the most inner part of the accretion disk of a collapsing star, ionize the surrounding material in the host galaxy, and thereby influence the process of star formation specially in the dense environment at high redshifts. They can also have a significant contribution in the formation of high energy cosmic-rays. Here we present new simulations of GRBs according to a dynamically consistent relativistic shock model for the prompt emission, with or without the presence of an magnetic field. They show that the properties of observed bursts are well reproduced by this model up to GeV energies. They help to better understand GRB phenomenon, and provide an insight into characteristics of relativistic jets and particle acceleration which cannot yet be simulated with enough precision from first principles.

The NOvA simulation chain

NASA Astrophysics Data System (ADS)

Aurisano, A.; Backhouse, C.; Hatcher, R.; Mayer, N.; Musser, J.; Patterson, R.; Schroeter, R.; Sousa, A.

2015-12-01

The NOνA experiment is a two-detector, long-baseline neutrino experiment operating in the recently upgraded NuMI muon neutrino beam. Simulating neutrino interactions and backgrounds requires many steps including: the simulation of the neutrino beam flux using FLUKA and the FLUGG interface; cosmic ray generation using CRY; neutrino interaction modeling using GENIE; and a simulation of the energy deposited in the detector using GEANT4. To shorten generation time, the modeling of detector-specific aspects, such as photon transport, detector and electronics noise, and readout electronics, employs custom, parameterized simulation applications. We will describe the NOνA simulation chain, and present details on the techniques used in modeling photon transport near the ends of cells, and in developing a novel data-driven noise simulation. Due to the high intensity of the NuMI beam, the Near Detector samples a high rate of muons originating in the surrounding rock. In addition, due to its location on the surface at Ash River, MN, the Far Detector collects a large rate (˜ 140 kHz) of cosmic muons. We will discuss the methods used in NOνA for overlaying rock muons and cosmic ray muons with simulated neutrino interactions and show how realistically the final simulation reproduces the preliminary NOνA data.

Simulation of X-ray transient absorption for following vibrations in coherently ionized F2 molecules

NASA Astrophysics Data System (ADS)

Dutoi, Anthony D.; Leone, Stephen R.

2017-01-01

Femtosecond and attosecond X-ray transient absorption experiments are becoming increasingly sophisticated tools for probing nuclear dynamics. In this work, we explore and develop theoretical tools needed for interpretation of such spectra,in order to characterize the vibrational coherences that result from ionizing a molecule in a strong IR field. Ab initio data for F2 is combined with simulations of nuclear dynamics, in order to simulate time-resolved X-ray absorption spectra for vibrational wavepackets after coherent ionization at 0 K and at finite temperature. Dihalogens pose rather difficult electronic structure problems, and the issues encountered in this work will be reflective of those encountered with any core-valence excitation simulation when a bond is breaking. The simulations reveal a strong dependence of the X-ray absorption maximum on the locations of the vibrational wave packets. A Fourier transform of the simulated signal shows features at the overtone frequencies of both the neutral and the cation, which reflect spatial interferences of the vibrational eigenstates. This provides a direct path for implementing ultrafast X-ray spectroscopic methods to visualize coherent nuclear dynamics.

A Wigner-based ray-tracing method for imaging simulations

NASA Astrophysics Data System (ADS)

Mout, B. M.; Wick, M.; Bociort, F.; Urbach, H. P.

2015-09-01

The Wigner Distribution Function (WDF) forms an alternative representation of the optical field. It can be a valuable tool for understanding and classifying optical systems. Furthermore, it possesses properties that make it suitable for optical simulations: both the intensity and the angular spectrum can be easily obtained from the WDF and the WDF remains constant along the paths of paraxial geometrical rays. In this study we use these properties by implementing a numerical Wigner-Based Ray-Tracing method (WBRT) to simulate diffraction effects at apertures in free-space and in imaging systems. Both paraxial and non-paraxial systems are considered and the results are compared with numerical implementations of the Rayleigh-Sommerfeld and Fresnel diffraction integrals to investigate the limits of the applicability of this approach. The results of the different methods are in good agreement when simulating free-space diffraction or calculating point spread functions (PSFs) for aberration-free imaging systems, even at numerical apertures exceeding the paraxial regime. For imaging systems with aberrations, the PSFs of WBRT diverge from the results using diffraction integrals. For larger aberrations WBRT predicts negative intensities, suggesting that this model is unable to deal with aberrations.

Monte Carlo simulation of photon buildup factors for shielding materials in diagnostic x-ray facilities.

PubMed

Kharrati, Hedi; Agrebi, Amel; Karoui, Mohamed Karim

2012-10-01

A simulation of buildup factors for ordinary concrete, steel, lead, plate glass, lead glass, and gypsum wallboard in broad beam geometry for photons energies from 10 keV to 150 keV at 5 keV intervals is presented. Monte Carlo N-particle radiation transport computer code has been used to determine the buildup factors for the studied shielding materials. An example concretizing the use of the obtained buildup factors data in computing the broad beam transmission for tube potentials at 70, 100, 120, and 140 kVp is given. The half value layer, the tenth value layer, and the equilibrium tenth value layer are calculated from the broad beam transmission for these tube potentials. The obtained values compared with those calculated from the published data show the ability of these data to predict shielding transmission curves. Therefore, the buildup factors data can be combined with primary, scatter, and leakage x-ray spectra to provide a computationally based solution to broad beam transmission for barriers in shielding x-ray facilities.

Monte Carlo simulation of photon buildup factors for shielding materials in diagnostic x-ray facilities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kharrati, Hedi; Agrebi, Amel; Karoui, Mohamed Karim

2012-10-15

Purpose: A simulation of buildup factors for ordinary concrete, steel, lead, plate glass, lead glass, and gypsum wallboard in broad beam geometry for photons energies from 10 keV to 150 keV at 5 keV intervals is presented. Methods: Monte Carlo N-particle radiation transport computer code has been used to determine the buildup factors for the studied shielding materials. Results: An example concretizing the use of the obtained buildup factors data in computing the broad beam transmission for tube potentials at 70, 100, 120, and 140 kVp is given. The half value layer, the tenth value layer, and the equilibrium tenthmore » value layer are calculated from the broad beam transmission for these tube potentials. Conclusions: The obtained values compared with those calculated from the published data show the ability of these data to predict shielding transmission curves. Therefore, the buildup factors data can be combined with primary, scatter, and leakage x-ray spectra to provide a computationally based solution to broad beam transmission for barriers in shielding x-ray facilities.« less

hybrid\\scriptsize{{MANTIS}}: a CPU-GPU Monte Carlo method for modeling indirect x-ray detectors with columnar scintillators

NASA Astrophysics Data System (ADS)

Sharma, Diksha; Badal, Andreu; Badano, Aldo

2012-04-01

The computational modeling of medical imaging systems often requires obtaining a large number of simulated images with low statistical uncertainty which translates into prohibitive computing times. We describe a novel hybrid approach for Monte Carlo simulations that maximizes utilization of CPUs and GPUs in modern workstations. We apply the method to the modeling of indirect x-ray detectors using a new and improved version of the code \\scriptsize{{MANTIS}}, an open source software tool used for the Monte Carlo simulations of indirect x-ray imagers. We first describe a GPU implementation of the physics and geometry models in fast\\scriptsize{{DETECT}}2 (the optical transport model) and a serial CPU version of the same code. We discuss its new features like on-the-fly column geometry and columnar crosstalk in relation to the \\scriptsize{{MANTIS}} code, and point out areas where our model provides more flexibility for the modeling of realistic columnar structures in large area detectors. Second, we modify \\scriptsize{{PENELOPE}} (the open source software package that handles the x-ray and electron transport in \\scriptsize{{MANTIS}}) to allow direct output of location and energy deposited during x-ray and electron interactions occurring within the scintillator. This information is then handled by optical transport routines in fast\\scriptsize{{DETECT}}2. A load balancer dynamically allocates optical transport showers to the GPU and CPU computing cores. Our hybrid\\scriptsize{{MANTIS}} approach achieves a significant speed-up factor of 627 when compared to \\scriptsize{{MANTIS}} and of 35 when compared to the same code running only in a CPU instead of a GPU. Using hybrid\\scriptsize{{MANTIS}}, we successfully hide hours of optical transport time by running it in parallel with the x-ray and electron transport, thus shifting the computational bottleneck from optical to x-ray transport. The new code requires much less memory than \\scriptsize{{MANTIS}} and, as a result

TEMPEST Simulations of the Plasma Transport in a Single-Null Tokamak Geometry

DOE PAGES

X. Q. Xu; Bodi, K.; Cohen, R. H.; ...

2010-05-28

We present edge kinetic ion transport simulations of tokamak plasmas in magnetic divertor geometry using the fully nonlinear (full-f) continuum code TEMPEST. Besides neoclassical transport, a term for divergence of anomalous kinetic radial flux is added to mock up the effect of turbulent transport. In order to study the relative roles of neoclassical and anomalous transport, TEMPEST simulations were carried out for plasma transport and flow dynamics in a single-null tokamak geometry, including the pedestal region that extends across the separatrix into the scrape-off layer and private flux region. In a series of TEMPEST simulations were conducted to investigate themore » transition of midplane pedestal heat flux and flow from the neoclassical to the turbulent limit and the transition of divertor heat flux and flow from the kinetic to the fluid regime via an anomalous transport scan and a density scan. The TEMPEST simulation results demonstrate that turbulent transport (as modelled by large diffusion) plays a similar role to collisional decorrelation of particle orbits and that the large turbulent transport (large diffusion) leads to an apparent Maxwellianization of the particle distribution. Moreover, we show the transition of parallel heat flux and flow at the entrance to the divertor plates from the fluid to the kinetic regime. For an absorbing divertor plate boundary condition, a non-half-Maxwellian is found due to the balance between upstream radial anomalous transport and energetic ion endloss.« less

TEMPEST Simulations of the Plasma Transport in a Single-Null Tokamak Geometry

DOE Office of Scientific and Technical Information (OSTI.GOV)

X. Q. Xu; Bodi, K.; Cohen, R. H.

We present edge kinetic ion transport simulations of tokamak plasmas in magnetic divertor geometry using the fully nonlinear (full-f) continuum code TEMPEST. Besides neoclassical transport, a term for divergence of anomalous kinetic radial flux is added to mock up the effect of turbulent transport. In order to study the relative roles of neoclassical and anomalous transport, TEMPEST simulations were carried out for plasma transport and flow dynamics in a single-null tokamak geometry, including the pedestal region that extends across the separatrix into the scrape-off layer and private flux region. In a series of TEMPEST simulations were conducted to investigate themore » transition of midplane pedestal heat flux and flow from the neoclassical to the turbulent limit and the transition of divertor heat flux and flow from the kinetic to the fluid regime via an anomalous transport scan and a density scan. The TEMPEST simulation results demonstrate that turbulent transport (as modelled by large diffusion) plays a similar role to collisional decorrelation of particle orbits and that the large turbulent transport (large diffusion) leads to an apparent Maxwellianization of the particle distribution. Moreover, we show the transition of parallel heat flux and flow at the entrance to the divertor plates from the fluid to the kinetic regime. For an absorbing divertor plate boundary condition, a non-half-Maxwellian is found due to the balance between upstream radial anomalous transport and energetic ion endloss.« less

Constraining Gamma-Ray Pulsar Gap Models with a Simulated Pulsar Population

NASA Technical Reports Server (NTRS)

Pierbattista, Marco; Grenier, I. A.; Harding, A. K.; Gonthier, P. L.

2012-01-01

With the large sample of young gamma-ray pulsars discovered by the Fermi Large Area Telescope (LAT), population synthesis has become a powerful tool for comparing their collective properties with model predictions. We synthesised a pulsar population based on a radio emission model and four gamma-ray gap models (Polar Cap, Slot Gap, Outer Gap, and One Pole Caustic). Applying gamma-ray and radio visibility criteria, we normalise the simulation to the number of detected radio pulsars by a select group of ten radio surveys. The luminosity and the wide beams from the outer gaps can easily account for the number of Fermi detections in 2 years of observations. The wide slot-gap beam requires an increase by a factor of 10 of the predicted luminosity to produce a reasonable number of gamma-ray pulsars. Such large increases in the luminosity may be accommodated by implementing offset polar caps. The narrow polar-cap beams contribute at most only a handful of LAT pulsars. Using standard distributions in birth location and pulsar spin-down power (E), we skew the initial magnetic field and period distributions in a an attempt to account for the high E Fermi pulsars. While we compromise the agreement between simulated and detected distributions of radio pulsars, the simulations fail to reproduce the LAT findings: all models under-predict the number of LAT pulsars with high E , and they cannot explain the high probability of detecting both the radio and gamma-ray beams at high E. The beaming factor remains close to 1.0 over 4 decades in E evolution for the slot gap whereas it significantly decreases with increasing age for the outer gaps. The evolution of the enhanced slot-gap luminosity with E is compatible with the large dispersion of gamma-ray luminosity seen in the LAT data. The stronger evolution predicted for the outer gap, which is linked to the polar cap heating by the return current, is apparently not supported by the LAT data. The LAT sample of gamma-ray pulsars

Effective algorithm for ray-tracing simulations of lobster eye and similar reflective optical systems

NASA Astrophysics Data System (ADS)

Tichý, Vladimír; Hudec, René; Němcová, Šárka

2016-06-01

The algorithm presented is intended mainly for lobster eye optics. This type of optics (and some similar types) allows for a simplification of the classical ray-tracing procedure that requires great many rays to simulate. The method presented performs the simulation of a only few rays; therefore it is extremely effective. Moreover, to simplify the equations, a specific mathematical formalism is used. Only a few simple equations are used, therefore the program code can be simple as well. The paper also outlines how to apply the method to some other reflective optical systems.

Laboratory simulation of charge exchange-produced X-ray emission from comets.

PubMed

Beiersdorfer, P; Boyce, K R; Brown, G V; Chen, H; Kahn, S M; Kelley, R L; May, M; Olson, R E; Porter, F S; Stahle, C K; Tillotson, W A

2003-06-06

In laboratory experiments using the engineering spare microcalorimeter detector from the ASTRO-E satellite mission, we recorded the x-ray emission of highly charged ions of carbon, nitrogen, and oxygen, which simulates charge exchange reactions between heavy ions in the solar wind and neutral gases in cometary comae. The spectra are complex and do not readily match predictions. We developed a charge exchange emission model that successfully reproduces the soft x-ray spectrum of comet Linear C/1999 S4, observed with the Chandra X-ray Observatory.

First-principles simulations of heat transport

NASA Astrophysics Data System (ADS)

Puligheddu, Marcello; Gygi, Francois; Galli, Giulia

2017-11-01

Advances in understanding heat transport in solids were recently reported by both experiment and theory. However an efficient and predictive quantum simulation framework to investigate thermal properties of solids, with the same complexity as classical simulations, has not yet been developed. Here we present a method to compute the thermal conductivity of solids by performing ab initio molecular dynamics at close to equilibrium conditions, which only requires calculations of first-principles trajectories and atomic forces, thus avoiding direct computation of heat currents and energy densities. In addition the method requires much shorter sequential simulation times than ordinary molecular dynamics techniques, making it applicable within density functional theory. We discuss results for a representative oxide, MgO, at different temperatures and for ordered and nanostructured morphologies, showing the performance of the method in different conditions.

Gamma Ray Observatory (GRO) dynamics simulator requirements and mathematical specifications, revision 1

NASA Technical Reports Server (NTRS)

Harman, R.; Blejer, D.

1990-01-01

The requirements and mathematical specifications for the Gamma Ray Observatory (GRO) Dynamics Simulator are presented. The complete simulator system, which consists of the profie subsystem, simulation control and input/output subsystem, truth model subsystem, onboard computer model subsystem, and postprocessor, is described. The simulator will be used to evaluate and test the attitude determination and control models to be used on board GRO under conditions that simulate the expected in-flight environment.

Sensitivity of CO2 Simulation in a GCM to the Convective Transport Algorithms

NASA Technical Reports Server (NTRS)

Zhu, Z.; Pawson, S.; Collatz, G. J.; Gregg, W. W.; Kawa, S. R.; Baker, D.; Ott, L.

2014-01-01

Convection plays an important role in the transport of heat, moisture and trace gases. In this study, we simulated CO2 concentrations with an atmospheric general circulation model (GCM). Three different convective transport algorithms were used. One is a modified Arakawa-Shubert scheme that was native to the GCM; two others used in two off-line chemical transport models (CTMs) were added to the GCM here for comparison purposes. Advanced CO2 surfaced fluxes were used for the simulations. The results were compared to a large quantity of CO2 observation data. We find that the simulation results are sensitive to the convective transport algorithms. Overall, the three simulations are quite realistic and similar to each other in the remote marine regions, but are significantly different in some land regions with strong fluxes such as Amazon and Siberia during the convection seasons. Large biases against CO2 measurements are found in these regions in the control run, which uses the original GCM. The simulation with the simple diffusive algorithm is better. The difference of the two simulations is related to the very different convective transport speed.

Notes on the husbandry and long-term transportation of Bull ray (Pteromylaeus bovinus) and Dolphinfish (Coryphaena hippurus and Coryphaena equiselis).

PubMed

Rodrigues, Nuno; Correia, João; Pinho, Rúben; Graça, José; Rodrigues, Filipe; Hirofumi, Morikawa

2013-03-01

Bull rays (Pteromylaeus bovinus) and Dolphinfish (Coryphaena hippurus and Coryphaena equiselis) were collected in Olhão (south of Portugal). These animals hosted multiple parasites, namely Caligus spp., and underwent a variety of treatments to remove them. Of all treatments tested, hydrogen peroxide showed the best results, although only concentrations above 100 ppm were effective in parasite removal. These high concentrations, however, proved to be highly toxic for the fish and led to the loss of some animals, especially those which had been handled before treatment. A total of 14 Bull rays were transported to Bolougne-Sur-Mer (France) by road and some animals were lost, which was attributed to excessive time in transit (>45 hr). In another transport, three Bull rays and 10 Dolphinfishes were moved to Stralsund (Germany) by road and air. The mechanical wounds suffered by one of the Bull rays during transport led to its death and, consequently, a deterioration of water quality in the tank containing two other conspecifics. This deterioration of water quality resulted in problems for the other two Bull rays, and one perished approximately 48 hr after arrival. The authors concluded that Dolphinfish can be transported with a low bioload for at least 27 hr, and Bull rays should not undergo transports longer than 35 hr. Special attention must be taken to injured animals, since this can lead to a decrease in water quality and consequently affect other animals in the same transport tank. © 2012 Wiley Periodicals, Inc.

X-Ray Spectra from MHD Simulations of Accreting Black Holes

NASA Technical Reports Server (NTRS)

Schnittman, Jeremy D.; Noble, Scott C.; Krolik, Julian H.

2011-01-01

We present new global calculations of X-ray spectra from fully relativistic magneto-hydrodynamic (MHO) simulations of black hole (BH) accretion disks. With a self consistent radiative transfer code including Compton scattering and returning radiation, we can reproduce the predominant spectral features seen in decades of X-ray observations of stellar-mass BHs: a broad thermal peak around 1 keV, power-law continuum up to >100 keV, and a relativistically broadened iron fluorescent line. By varying the mass accretion rate, different spectral states naturally emerge: thermal-dominant, steep power-law, and low/hard. In addition to the spectral features, we briefly discuss applications to X-ray timing and polarization.

Simulated fate and transport of metolachlor in the unsaturated zone, Maryland, USA

USGS Publications Warehouse

Bayless, E.R.; Capel, P.D.; Barbash, J.E.; Webb, R.M.T.; Hancock, T.L.C.; Lampe, D.C.

2008-01-01

An unsaturated-zone transport model was used to examine the transport and fate of metolachlor applied to an agricultural site in Maryland, USA. The study site was instrumented to collect data on soil-water content, soil-water potential, ground water levels, major ions, pesticides, and nutrients from the unsaturated zone during 2002-2004. The data set was enhanced with site-specific information describing weather, soils, and agricultural practices. The Root Zone Water Quality Model was used to simulate physical, chemical, and biological processes occurring in the unsaturated zone. Model calibration to bromide tracer concentrations indicated flow occurred through the soil matix. Simulated recharge rates were within the measured range of values. The pesticide transport model was calibrated to the intensive data collection period (2002-2004), and the calibrated model was then used to simulate the period 1984 through 2004 to examine the impact of sustained agricultural management practices on the concentrations of metolachlor and its degradates at the study site. Simulation results indicated that metolachlor degrades rapidly in the root zone but that the degradates are transported to depth in measurable quantities. Simulations indicated that degradate transport is strongly related to the duration of sustained use of metolachlor and the extent of biodegradation. 

A simulation of high energy cosmic ray propagation 1

NASA Technical Reports Server (NTRS)

Honda, M.; Kifune, T.; Matsubara, Y.; Mori, M.; Nishijima, K.; Teshima, M.

1985-01-01

High energy cosmic ray propagation of the energy region 10 to the 14.5 power - 10 to the 18th power eV is simulated in the inter steller circumstances. In conclusion, the diffusion process by turbulent magnetic fields is classified into several regions by ratio of the gyro-radius and the scale of turbulence. When the ratio becomes larger then 10 to the minus 0.5 power, the analysis with the assumption of point scattering can be applied with the mean free path E sup 2. However, when the ratio is smaller than 10 to the minus 0.5 power, we need a more complicated analysis or simulation. Assuming the turbulence scale of magnetic fields of the Galaxy is 10-30pc and the mean magnetic field strength is 3 micro gauss, the energy of cosmic ray with that gyro-radius is about 10 to the 16.5 power eV.

X-ray Spectral Formation In High-mass X-ray Binaries: The Case Of Vela X-1

NASA Astrophysics Data System (ADS)

Akiyama, Shizuka; Mauche, C. W.; Liedahl, D. A.; Plewa, T.

2007-05-01

We are working to develop improved models of radiatively-driven mass flows in the presence of an X-ray source -- such as in X-ray binaries, cataclysmic variables, and active galactic nuclei -- in order to infer the physical properties that determine the X-ray spectra of such systems. The models integrate a three-dimensional time-dependent hydrodynamics capability (FLASH); a comprehensive and uniform set of atomic data, improved calculations of the line force multiplier that account for X-ray photoionization and non-LTE population kinetics, and X-ray emission-line models appropriate to X-ray photoionized plasmas (HULLAC); and a Monte Carlo radiation transport code that simulates Compton scattering and recombination cascades following photoionization. As a test bed, we have simulated a high-mass X-ray binary with parameters appropriate to Vela X-1. While the orbital and stellar parameters of this system are well constrained, the physics of X-ray spectral formation is less well understood because the canonical analytical wind velocity profile of OB stars does not account for the dynamical and radiative feedback effects due to the rotation of the system and to the irradiation of the stellar wind by X-rays from the neutron star. We discuss the dynamical wind structure of Vela X-1 as determined by the FLASH simulation, where in the binary the X-ray emission features originate, and how the spatial and spectral properties of the X-ray emission features are modified by Compton scattering, photoabsorption, and fluorescent emission. This work was performed under the auspices of the U.S. Department of Energy by University of California, Lawrence Livermore National Laboratory under Contract W-7405-Eng-48.

TWO-DIMENSIONAL CORE-COLLAPSE SUPERNOVA SIMULATIONS WITH THE ISOTROPIC DIFFUSION SOURCE APPROXIMATION FOR NEUTRINO TRANSPORT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pan, Kuo-Chuan; Liebendörfer, Matthias; Hempel, Matthias

2016-01-20

The neutrino mechanism of core-collapse supernova is investigated via non-relativistic, two-dimensional (2D), neutrino radiation–hydrodynamic simulations. For the transport of electron flavor neutrinos, we use the interaction rates defined by Bruenn and the isotropic diffusion source approximation (IDSA) scheme, which decomposes the transported particles into trapped-particle and streaming-particle components. Heavy neutrinos are described by a leakage scheme. Unlike the “ray-by-ray” approach in some other multidimensional supernova models, we use cylindrical coordinates and solve the trapped-particle component in multiple dimensions, improving the proto-neutron star resolution and the neutrino transport in angular and temporal directions. We provide an IDSA verification by performing one-dimensionalmore » (1D) and 2D simulations with 15 and 20 M{sub ⊙} progenitors from Woosley et al. and discuss the difference between our IDSA results and those existing in the literature. Additionally, we perform Newtonian 1D and 2D simulations from prebounce core collapse to several hundred milliseconds postbounce with 11, 15, 21, and 27 M{sub ⊙} progenitors from Woosley et al. with the HS(DD2) equation of state. General-relativistic effects are neglected. We obtain robust explosions with diagnostic energies E{sub dia} ≳ 0.1–0.5 B (1 B ≡ 10{sup 51} erg) for all considered 2D models within approximately 100–300 ms after bounce and find that explosions are mostly dominated by the neutrino-driven convection, although standing accretion shock instabilities are observed as well. We also find that the level of electron deleptonization during collapse dramatically affects the postbounce evolution, e.g., the neglect of neutrino–electron scattering during collapse will lead to a stronger explosion.« less

GPU-accelerated depth map generation for X-ray simulations of complex CAD geometries

NASA Astrophysics Data System (ADS)

Grandin, Robert J.; Young, Gavin; Holland, Stephen D.; Krishnamurthy, Adarsh

2018-04-01

Interactive x-ray simulations of complex computer-aided design (CAD) models can provide valuable insights for better interpretation of the defect signatures such as porosity from x-ray CT images. Generating the depth map along a particular direction for the given CAD geometry is the most compute-intensive step in x-ray simulations. We have developed a GPU-accelerated method for real-time generation of depth maps of complex CAD geometries. We preprocess complex components designed using commercial CAD systems using a custom CAD module and convert them into a fine user-defined surface tessellation. Our CAD module can be used by different simulators as well as handle complex geometries, including those that arise from complex castings and composite structures. We then make use of a parallel algorithm that runs on a graphics processing unit (GPU) to convert the finely-tessellated CAD model to a voxelized representation. The voxelized representation can enable heterogeneous modeling of the volume enclosed by the CAD model by assigning heterogeneous material properties in specific regions. The depth maps are generated from this voxelized representation with the help of a GPU-accelerated ray-casting algorithm. The GPU-accelerated ray-casting method enables interactive (> 60 frames-per-second) generation of the depth maps of complex CAD geometries. This enables arbitrarily rotation and slicing of the CAD model, leading to better interpretation of the x-ray images by the user. In addition, the depth maps can be used to aid directly in CT reconstruction algorithms.

Simulation of Martian surface conditions and dust transport

NASA Astrophysics Data System (ADS)

Nørnberg, P.; Merrison, J. P.; Finster, K.; Folkmann, F.; Gunnlaugsson, H. P.; Hansen, A.; Jensen, J.; Kinch, K.; Lomstein, B. Aa.; Mugford, R.

2002-11-01

The suspended atmospheric dust which is also found deposited over most of the Martian globe plays an important (possibly vital) role in shaping the surface environment. It affects the weather (solar flux), water transport and possibly also the electrical properties at the surface. The simulation facilities at Aarhus provide excellent tools for studying the properties of this Martian environment. Much can be learned from such simulations, supporting and often inspiring new investigations of the planet. Electrical charging of a Mars analogue dust is being studied within a wind tunnel simulation aerosol. Here electric fields are used to extract dust from suspension. Although preliminary the results indicate that a large fraction of the dust is charged to a high degree, sufficient to dominate adhesion/cohesion processes. A Mars analogue dust layer has been shown to be an excellent trap for moisture, causing increased humidity in the soil below. This allows the possibility for liquid water to be stable close to the surface (less than 10 cm). This is being investigated in an environment simulator where heat and moisture transport can be studied through layers of Mars analogue dust.

The potential of detecting intermediate-scale biomass and canopy interception in a coniferous forest using cosmic-ray neutron intensity measurements and neutron transport modeling

NASA Astrophysics Data System (ADS)

Andreasen, M.; Looms, M. C.; Bogena, H. R.; Desilets, D.; Zreda, M. G.; Sonnenborg, T. O.; Jensen, K. H.

2014-12-01

. Additionally, neutron transport modeling, using the extended version of the Monte Carlo N-Particle Transport Code, was conducted. The responses of the reference condition, different amounts of biomass, soil moisture and canopy interception on the cosmic-ray neutron intensity were simulated and compared to the measurements.

Large-scale tropospheric transport in the Chemistry-Climate Model Initiative (CCMI) simulations

NASA Astrophysics Data System (ADS)

Orbe, Clara; Yang, Huang; Waugh, Darryn W.; Zeng, Guang; Morgenstern, Olaf; Kinnison, Douglas E.; Lamarque, Jean-Francois; Tilmes, Simone; Plummer, David A.; Scinocca, John F.; Josse, Beatrice; Marecal, Virginie; Jöckel, Patrick; Oman, Luke D.; Strahan, Susan E.; Deushi, Makoto; Tanaka, Taichu Y.; Yoshida, Kohei; Akiyoshi, Hideharu; Yamashita, Yousuke; Stenke, Andreas; Revell, Laura; Sukhodolov, Timofei; Rozanov, Eugene; Pitari, Giovanni; Visioni, Daniele; Stone, Kane A.; Schofield, Robyn; Banerjee, Antara

2018-05-01

Understanding and modeling the large-scale transport of trace gases and aerosols is important for interpreting past (and projecting future) changes in atmospheric composition. Here we show that there are large differences in the global-scale atmospheric transport properties among the models participating in the IGAC SPARC Chemistry-Climate Model Initiative (CCMI). Specifically, we find up to 40 % differences in the transport timescales connecting the Northern Hemisphere (NH) midlatitude surface to the Arctic and to Southern Hemisphere high latitudes, where the mean age ranges between 1.7 and 2.6 years. We show that these differences are related to large differences in vertical transport among the simulations, in particular to differences in parameterized convection over the oceans. While stronger convection over NH midlatitudes is associated with slower transport to the Arctic, stronger convection in the tropics and subtropics is associated with faster interhemispheric transport. We also show that the differences among simulations constrained with fields derived from the same reanalysis products are as large as (and in some cases larger than) the differences among free-running simulations, most likely due to larger differences in parameterized convection. Our results indicate that care must be taken when using simulations constrained with analyzed winds to interpret the influence of meteorology on tropospheric composition.

XIMPOL: a new x-ray polarimetry observation-simulation and analysis framework

NASA Astrophysics Data System (ADS)

Omodei, Nicola; Baldini, Luca; Pesce-Rollins, Melissa; di Lalla, Niccolò

2017-08-01

We present a new simulation framework, XIMPOL, based on the python programming language and the Scipy stack, specifically developed for X-ray polarimetric applications. XIMPOL is not tied to any specific mission or instrument design and is meant to produce fast and yet realistic observation-simulations, given as basic inputs: (i) an arbitrary source model including morphological, temporal, spectral and polarimetric information, and (ii) the response functions of the detector under study, i.e., the effective area, the energy dispersion, the point-spread function and the modulation factor. The format of the response files is OGIP compliant, and the framework has the capability of producing output files that can be directly fed into the standard visualization and analysis tools used by the X-ray community, including XSPEC which make it a useful tool not only for simulating physical systems, but also to develop and test end-to-end analysis chains.

Sensitivity of chemical transport model simulations to the duration of chemical and transport operators: a case study with GEOS-Chem v10-01

NASA Astrophysics Data System (ADS)

Philip, S.; Martin, R. V.; Keller, C. A.

2015-11-01

Chemical transport models involve considerable computational expense. Fine temporal resolution offers accuracy at the expense of computation time. Assessment is needed of the sensitivity of simulation accuracy to the duration of chemical and transport operators. We conduct a series of simulations with the GEOS-Chem chemical transport model at different temporal and spatial resolutions to examine the sensitivity of simulated atmospheric composition to temporal resolution. Subsequently, we compare the tracers simulated with operator durations from 10 to 60 min as typically used by global chemical transport models, and identify the timesteps that optimize both computational expense and simulation accuracy. We found that longer transport timesteps increase concentrations of emitted species such as nitrogen oxides and carbon monoxide since a more homogeneous distribution reduces loss through chemical reactions and dry deposition. The increased concentrations of ozone precursors increase ozone production at longer transport timesteps. Longer chemical timesteps decrease sulfate and ammonium but increase nitrate due to feedbacks with in-cloud sulfur dioxide oxidation and aerosol thermodynamics. The simulation duration decreases by an order of magnitude from fine (5 min) to coarse (60 min) temporal resolution. We assess the change in simulation accuracy with resolution by comparing the root mean square difference in ground-level concentrations of nitrogen oxides, ozone, carbon monoxide and secondary inorganic aerosols with a finer temporal or spatial resolution taken as truth. Simulation error for these species increases by more than a factor of 5 from the shortest (5 min) to longest (60 min) temporal resolution. Chemical timesteps twice that of the transport timestep offer more simulation accuracy per unit computation. However, simulation error from coarser spatial resolution generally exceeds that from longer timesteps; e.g. degrading from 2° × 2.5° to 4° × 5�

Implementing displacement damage calculations for electrons and gamma rays in the Particle and Heavy-Ion Transport code System

NASA Astrophysics Data System (ADS)

Iwamoto, Yosuke

2018-03-01

In this study, the Monte Carlo displacement damage calculation method in the Particle and Heavy-Ion Transport code System (PHITS) was improved to calculate displacements per atom (DPA) values due to irradiation by electrons (or positrons) and gamma rays. For the damage due to electrons and gamma rays, PHITS simulates electromagnetic cascades using the Electron Gamma Shower version 5 (EGS5) algorithm and calculates DPA values using the recoil energies and the McKinley-Feshbach cross section. A comparison of DPA values calculated by PHITS and the Monte Carlo assisted Classical Method (MCCM) reveals that they were in good agreement for gamma-ray irradiations of silicon and iron at energies that were less than 10 MeV. Above 10 MeV, PHITS can calculate DPA values not only for electrons but also for charged particles produced by photonuclear reactions. In DPA depth distributions under electron and gamma-ray irradiations, build-up effects can be observed near the target's surface. For irradiation of 90-cm-thick carbon by protons with energies of more than 30 GeV, the ratio of the secondary electron DPA values to the total DPA values is more than 10% and increases with an increase in incident energy. In summary, PHITS can calculate DPA values for all particles and materials over a wide energy range between 1 keV and 1 TeV for electrons, gamma rays, and charged particles and between 10-5 eV and 1 TeV for neutrons.

Direct comparisons of X-ray scattering and atomistic molecular dynamics simulations for precise acid copolymers and ionomers

DOE PAGES

Buitrago, C. Francisco; Bolintineanu, Dan; Seitz, Michelle E.; ...

2015-02-09

Designing acid- and ion-containing polymers for optimal proton, ion, or water transport would benefit profoundly from predictive models or theories that relate polymer structures with ionomer morphologies. Recently, atomistic molecular dynamics (MD) simulations were performed to study the morphologies of precise poly(ethylene-co-acrylic acid) copolymer and ionomer melts. Here, we present the first direct comparisons between scattering profiles, I(q), calculated from these atomistic MD simulations and experimental X-ray data for 11 materials. This set of precise polymers has spacers of exactly 9, 15, or 21 carbons between acid groups and has been partially neutralized with Li, Na, Cs, or Zn. Inmore » these polymers, the simulations at 120 °C reveal ionic aggregates with a range of morphologies, from compact, isolated aggregates (type 1) to branched, stringy aggregates (type 2) to branched, stringy aggregates that percolate through the simulation box (type 3). Excellent agreement is found between the simulated and experimental scattering peak positions across all polymer types and aggregate morphologies. The shape of the amorphous halo in the simulated I(q) profile is in excellent agreement with experimental I(q). We found that the modified hard-sphere scattering model fits both the simulation and experimental I(q) data for type 1 aggregate morphologies, and the aggregate sizes and separations are in agreement. Given the stringy structure in types 2 and 3, we develop a scattering model based on cylindrical aggregates. Both the spherical and cylindrical scattering models fit I(q) data from the polymers with type 2 and 3 aggregates equally well, and the extracted aggregate radii and inter- and intra-aggregate spacings are in agreement between simulation and experiment. Furthermore, these dimensions are consistent with real-space analyses of the atomistic MD simulations. By combining simulations and experiments, the ionomer scattering peak can be associated with the

Simulating Picosecond X-ray Diffraction from shocked crystals by Post-processing Molecular Dynamics Calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kimminau, G; Nagler, B; Higginbotham, A

2008-06-19

Calculations of the x-ray diffraction patterns from shocked crystals derived from the results of Non-Equilibrium-Molecular-Dynamics (NEMD) simulations are presented. The atomic coordinates predicted by the NEMD simulations combined with atomic form factors are used to generate a discrete distribution of electron density. A Fast-Fourier-Transform (FFT) of this distribution provides an image of the crystal in reciprocal space, which can be further processed to produce quantitative simulated data for direct comparison with experiments that employ picosecond x-ray diffraction from laser-irradiated crystalline targets.

Modification of the TASMIP x-ray spectral model for the simulation of microfocus x-ray sources

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sisniega, A.; Vaquero, J. J., E-mail: juanjose.vaquero@uc3m.es; Instituto de Investigación Sanitaria Gregorio Marañón, Madrid ES28007

2014-01-15

Purpose: The availability of accurate and simple models for the estimation of x-ray spectra is of great importance for system simulation, optimization, or inclusion of photon energy information into data processing. There is a variety of publicly available tools for estimation of x-ray spectra in radiology and mammography. However, most of these models cannot be used directly for modeling microfocus x-ray sources due to differences in inherent filtration, energy range and/or anode material. For this reason the authors propose in this work a new model for the simulation of microfocus spectra based on existing models for mammography and radiology, modifiedmore » to compensate for the effects of inherent filtration and energy range. Methods: The authors used the radiology and mammography versions of an existing empirical model [tungsten anode spectral model interpolating polynomials (TASMIP)] as the basis of the microfocus model. First, the authors estimated the inherent filtration included in the radiology model by comparing the shape of the spectra with spectra from the mammography model. Afterwards, the authors built a unified spectra dataset by combining both models and, finally, they estimated the parameters of the new version of TASMIP for microfocus sources by calibrating against experimental exposure data from a microfocus x-ray source. The model was validated by comparing estimated and experimental exposure and attenuation data for different attenuating materials and x-ray beam peak energy values, using two different x-ray tubes. Results: Inherent filtration for the radiology spectra from TASMIP was found to be equivalent to 1.68 mm Al, as compared to spectra obtained from the mammography model. To match the experimentally measured exposure data the combined dataset required to apply a negative filtration of about 0.21 mm Al and an anode roughness of 0.003 mm W. The validation of the model against real acquired data showed errors in exposure and

Control of the Low-energy X-rays by Using MCNP5 and Numerical Analysis for a New Concept Intra-oral X-ray Imaging System

NASA Astrophysics Data System (ADS)

Huh, Jangyong; Ji, Yunseo; Lee, Rena

2018-05-01

An X-ray control algorithm to modulate the X-ray intensity distribution over the FOV (field of view) has been developed by using numerical analysis and MCNP5, a particle transport simulation code on the basis of the Monte Carlo method. X-rays, which are widely used in medical diagnostic imaging, should be controlled in order to maximize the performance of the X-ray imaging system. However, transporting X-rays, like a liquid or a gas is conveyed through a physical form such as pipes, is not possible. In the present study, an X-ray control algorithm and technique to uniformize the Xray intensity projected on the image sensor were developed using a flattening filter and a collimator in order to alleviate the anisotropy of the distribution of X-rays due to intrinsic features of the X-ray generator. The proposed method, which is combined with MCNP5 modeling and numerical analysis, aimed to optimize a flattening filter and a collimator for a uniform distribution of X-rays. Their size and shape were estimated from the method. The simulation and the experimental results both showed that the method yielded an intensity distribution over an X-ray field of 6×4 cm2 at SID (source to image-receptor distance) of 5 cm with a uniformity of more than 90% when the flattening filter and the collimator were mounted on the system. The proposed algorithm and technique are not only confined to flattening filter development but can also be applied for other X-ray related research and development efforts.

Brownian Dynamics Simulations of Ion Transport through the VDAC

PubMed Central

Lee, Kyu Il; Rui, Huan; Pastor, Richard W.; Im, Wonpil

2011-01-01

It is important to gain a physical understanding of ion transport through the voltage-dependent anion channel (VDAC) because this channel provides primary permeation pathways for metabolites and electrolytes between the cytosol and mitochondria. We performed grand canonical Monte Carlo/Brownian dynamics (GCMC/BD) simulations to explore the ion transport properties of human VDAC isoform 1 (hVDAC1; PDB:2K4T) embedded in an implicit membrane. When the MD-derived, space-dependent diffusion constant was used in the GCMC/BD simulations, the current-voltage characteristics and ion number profiles inside the pore showed excellent agreement with those calculated from all-atom molecular-dynamics (MD) simulations, thereby validating the GCMC/BD approach. Of the 20 NMR models of hVDAC1 currently available, the third one (NMR03) best reproduces both experimental single-channel conductance and ion selectivity (i.e., the reversal potential). In addition, detailed analyses of the ion trajectories, one-dimensional multi-ion potential of mean force, and protein charge distribution reveal that electrostatic interactions play an important role in the channel structure and ion transport relationship. Finally, the GCMC/BD simulations of various mutants based on NMR03 show good agreement with experimental ion selectivity. The difference in ion selectivity between the wild-type and the mutants is the result of altered potential of mean force profiles that are dominated by the electrostatic interactions. PMID:21281575

Jet simulations and gamma-ray burst afterglow jet breaks

NASA Astrophysics Data System (ADS)

van Eerten, H. J.; Meliani, Z.; Wijers, R. A. M. J.; Keppens, R.

2011-01-01

The conventional derivation of the gamma-ray burst afterglow jet break time uses only the blast wave fluid Lorentz factor and therefore leads to an achromatic break. We show that in general gamma-ray burst afterglow jet breaks are chromatic across the self-absorption break. Depending on circumstances, the radio jet break may be postponed significantly. Using high-accuracy adaptive mesh fluid simulations in one dimension, coupled to a detailed synchrotron radiation code, we demonstrate that this is true even for the standard fireball model and hard-edged jets. We confirm these effects with a simulation in two dimensions. The frequency dependence of the jet break is a result of the angle dependence of the emission, the changing optical depth in the self-absorbed regime and the shape of the synchrotron spectrum in general. In the optically thin case the conventional analysis systematically overestimates the jet break time, leading to inferred opening angles that are underestimated by a factor of ˜1.3 and explosion energies that are underestimated by a factor of ˜1.7, for explosions in a homogeneous environment. The methods presented in this paper can be applied to adaptive mesh simulations of arbitrary relativistic fluid flows. All analysis presented here makes the usual assumption of an on-axis observer.

High energy irradiations simulating cosmic-ray-induced planetary gamma ray production. I - Fe target

NASA Technical Reports Server (NTRS)

Metzger, A. E.; Parker, R. H.; Yellin, J.

1986-01-01

Two thick Fe targets were bombarded by a series of 6 GeV proton irradiations for the purpose of simulating the cosmic ray bombardment of planetary objects in space. Gamma ray energy spectra were obtained with a germanium solid state detector during the bombardment, and 46 of the gamma ray lines were ascribed to the Fe targets. A comparison between observed and predicted values showed good agreement for Fe lines from neutron inelastic scattering and spallation reactions, and less satisfactory agreement for neutron capture reactions, the latter attributed to the difference in composition between the Fe target and the mean lunar abundance used in the modeling. Through an analysis of the irradiation results together with continuum data obtained in lunar orbit, it was found that 100 hours of measurement with a current instrument should generate a spectrum containing approximately 20 lines due to Fe alone, with a 2-sigma sensitivity for detection of about 0.2 percent.

Simulations of reactive transport and precipitation with smoothed particle hydrodynamics

NASA Astrophysics Data System (ADS)

Tartakovsky, Alexandre M.; Meakin, Paul; Scheibe, Timothy D.; Eichler West, Rogene M.

2007-03-01

A numerical model based on smoothed particle hydrodynamics (SPH) was developed for reactive transport and mineral precipitation in fractured and porous materials. Because of its Lagrangian particle nature, SPH has several advantages for modeling Navier-Stokes flow and reactive transport including: (1) in a Lagrangian framework there is no non-linear term in the momentum conservation equation, so that accurate solutions can be obtained for momentum dominated flows and; (2) complicated physical and chemical processes such as surface growth due to precipitation/dissolution and chemical reactions are easy to implement. In addition, SPH simulations explicitly conserve mass and linear momentum. The SPH solution of the diffusion equation with fixed and moving reactive solid-fluid boundaries was compared with analytical solutions, Lattice Boltzmann [Q. Kang, D. Zhang, P. Lichtner, I. Tsimpanogiannis, Lattice Boltzmann model for crystal growth from supersaturated solution, Geophysical Research Letters, 31 (2004) L21604] simulations and diffusion limited aggregation (DLA) [P. Meakin, Fractals, scaling and far from equilibrium. Cambridge University Press, Cambridge, UK, 1998] model simulations. To illustrate the capabilities of the model, coupled three-dimensional flow, reactive transport and precipitation in a fracture aperture with a complex geometry were simulated.

Simulations of X-ray diffraction of shock-compressed single-crystal tantalum with synchrotron undulator sources.

PubMed

Tang, M X; Zhang, Y Y; E, J C; Luo, S N

2018-05-01

Polychromatic synchrotron undulator X-ray sources are useful for ultrafast single-crystal diffraction under shock compression. Here, simulations of X-ray diffraction of shock-compressed single-crystal tantalum with realistic undulator sources are reported, based on large-scale molecular dynamics simulations. Purely elastic deformation, elastic-plastic two-wave structure, and severe plastic deformation under different impact velocities are explored, as well as an edge release case. Transmission-mode diffraction simulations consider crystallographic orientation, loading direction, incident beam direction, X-ray spectrum bandwidth and realistic detector size. Diffraction patterns and reciprocal space nodes are obtained from atomic configurations for different loading (elastic and plastic) and detection conditions, and interpretation of the diffraction patterns is discussed.

The role of merged interaction regions and drafts in the heliospheric modulation of cosmic rays beyond 20 AU - A computer simulation

NASA Technical Reports Server (NTRS)

Potgieter, M. S.; Le Roux, J. A.; Burlaga, L. F.; Mcdonald, F. B.

1993-01-01

Voyager 2 magnetic field measurements are used to simulate merged interaction and rarefaction regions (MIRs and RRs) for 1985-1989 via numerical solutions of the time-dependent, axially symmetric transport equation of cosmic rays in the heliosphere, together with the concurrent use of the wavy neutral sheet as a time-dependent drift parameter. This drift approach was found to be more successful, because it was able to reproduce the intensity levels, the factor modulation, and latitudinal gradients for 1 GeV protons at 23 AU.

Gyrokinetic simulation of residual turbulence in transport barriers

NASA Astrophysics Data System (ADS)

Jenko, Frank; Told, Daniel; Goerler, Tobias; Brunner, Stephan; Sautter, Olivier

2011-10-01

One of the ultimate aims for gyrokinetic simulation is to describe the formation and evolution of transport barriers. An important step in that direction is the study of the residual turbulence in established barriers - a challenging task in itself, given that a wide range of spatio-temporal scales can be involved. In the present work, we employ the physically comprehensive, nonlocal gyrokinetic turbulence code GENE to study turbulence in both core and edge transport barriers. First, we apply GENE to a set of discharges in the TCV tokamak which exhibit electron ITBs. Nonlinear gyrokinetic simulations are used to examine the influence of a varying current profile on the strength of the barrier. For each case, the transport spectra reveal how much transport (for each channel) is done in the low-k, medium-k, and high-k regimes, respectively. The role of ETG turbulence is discussed. Second, we explore the role of ETG turbulence in a typical ASDEX Upgrade H-mode discharge. Numerical convergence is carefully examined, and new insights on the characteristics of ETG turbulence in the edge will be discussed, focusing particularly on the role of streamers, which had been found to be a necessary ingredient for experimentally relevant ETG transport in core plasmas. The radial dependence of the resulting electron heat diffusivity is also examined and a simple ETG model is presented which can be used in future edge modeling efforts.

Role of sediment transport model to improve the tsunami numerical simulation

NASA Astrophysics Data System (ADS)

Sugawara, D.; Yamashita, K.; Takahashi, T.; Imamura, F.

2015-12-01

Are we overlooking an important factor for improved numerical prediction of tsunamis in shallow sea to onshore? In this presentation, several case studies on numerical modeling of tsunami-induced sediment transport are reviewed, and the role of sediment transport models for tsunami inundation simulation is discussed. Large-scale sediment transport and resulting geomorphological change occurred in the coastal areas of Tohoku, Japan, due to the 2011 Tohoku Earthquake Tsunami. Datasets obtained after the tsunami, including geomorphological and sedimentological data as well as hydrodynamic records, allows us to validate the numerical model in detail. The numerical modeling of the sediment transport by the 2011 tsunami depicted the severest erosion of sandy beach, as well as characteristic spatial patterns of erosion and deposition on the seafloor, which have taken place in Hirota Bay, Sanriku Coast. Quantitative comparisons of observation and simulation of the geomorphological changes in Sanriku Coast and Sendai Bay showed that the numerical model can predict the volumes of erosion and deposition with a right order. In addition, comparison of the simulation with aerial video footages demonstrated the numerical model is capable of tracking the overall processes of tsunami sediment transport. Although tsunami-induced sediment erosion and deposition sometimes cause significant geomorphological change, and may enhance tsunami hydrodynamic impact to the coastal zones, most tsunami simulations do not include sediment transport modeling. A coupled modeling of tsunami hydrodynamics and sediment transport draws a different picture of tsunami hazard, comparing with simple hydrodynamic modeling of tsunami inundation. Since tsunami-induced erosion, deposition and geomorphological change sometimes extend more than several kilometers across the coastline, two-dimensional horizontal model are typically used for the computation of tsunami hydrodynamics and sediment transport

Monte Carlo simulation of Ray-Scan 64 PET system and performance evaluation using GATE toolkit

NASA Astrophysics Data System (ADS)

Li, Suying; Zhang, Qiushi; Vuletic, Ivan; Xie, Zhaoheng; Yang, Kun; Ren, Qiushi

2017-02-01

In this study, we aimed to develop a GATE model for the simulation of Ray-Scan 64 PET scanner and model its performance characteristics. A detailed implementation of system geometry and physical process were included in the simulation model. Then we modeled the performance characteristics of Ray-Scan 64 PET system for the first time, based on National Electrical Manufacturers Association (NEMA) NU-2 2007 protocols and validated the model against experimental measurement, including spatial resolution, sensitivity, counting rates and noise equivalent count rate (NECR). Moreover, an accurate dead time module was investigated to simulate the counting rate performance. Overall results showed reasonable agreement between simulation and experimental data. The validation results showed the reliability and feasibility of the GATE model to evaluate major performance of Ray-Scan 64 PET system. It provided a useful tool for a wide range of research applications.

Time-resolved soft-x-ray studies of energy transport in layered and planar laser-driven targets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stradling, G.L.

New low-energy x-ray diagnostic techniques are used to explore energy-transport processes in laser heated plasmas. Streak cameras are used to provide 15-psec time-resolution measurements of subkeV x-ray emission. A very thin (50 ..mu..g/cm/sup 2/) carbon substrate provides a low-energy x-ray transparent window to the transmission photocathode of this soft x-ray streak camera. Active differential vacuum pumping of the instrument is required. The use of high-sensitivity, low secondary-electron energy-spread CsI photocathodes in x-ray streak cameras is also described. Significant increases in sensitivity with only a small and intermittant decrease in dynamic range were observed. These coherent, complementary advances in subkeV, time-resolvedmore » x-ray diagnostic capability are applied to energy-transport investigations of 1.06-..mu..m laser plasmas. Both solid disk targets of a variety of Z's as well as Be-on-Al layered-disk targets were irradiated with 700-psec laser pulses of selected intensity between 3 x 10/sup 14/ W/cm/sup 2/ and 1 x 10/sup 15/ W/cm/sup 2/.« less

Iterated transportation simulations for Dallas and Portland

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nagel, K.; Simon, P.; Rickert, M.

1998-09-02

The goal of the TRansportation ANalysis and SIMulation System (TRANSIMS) is to combine the most important aspects of human decision-making related to transportation, from activities planning (sleep, work, eat, shop,...) via modal and route planning to driving, into a single, consistent methodological and software framework. This is meant to combine the functionalities of activities-based travel demand generation, modal choice and route assignment, and micro-simulation. TRANSIMS attempts to employ advanced methodologies in all these modules. Yet, it is probably the overall framework that is the most important part of this attempt. It is, for example, possible to replace the TRANSIMS microsimulationmore » by another micro-simulation that uses the same input and generates the same output. TRANSIMS uses specific regions as examples in order to ensure that the technology is rooted in the real world. Until about the middle of 1997, an approximately five miles by five miles area in Dallas/Texas was used. Since then, TRANSIMS has moved to using data from Portland/Oregon; a case study for this region is planned to be completed by the end of the year 2000. In this paper the authors give short descriptions of these projects and give references to related publications.« less

Rare event simulation in radiation transport

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kollman, Craig

1993-10-01

This dissertation studies methods for estimating extremely small probabilities by Monte Carlo simulation. Problems in radiation transport typically involve estimating very rare events or the expected value of a random variable which is with overwhelming probability equal to zero. These problems often have high dimensional state spaces and irregular geometries so that analytic solutions are not possible. Monte Carlo simulation must be used to estimate the radiation dosage being transported to a particular location. If the area is well shielded the probability of any one particular particle getting through is very small. Because of the large number of particles involved,more » even a tiny fraction penetrating the shield may represent an unacceptable level of radiation. It therefore becomes critical to be able to accurately estimate this extremely small probability. Importance sampling is a well known technique for improving the efficiency of rare event calculations. Here, a new set of probabilities is used in the simulation runs. The results are multiple by the likelihood ratio between the true and simulated probabilities so as to keep the estimator unbiased. The variance of the resulting estimator is very sensitive to which new set of transition probabilities are chosen. It is shown that a zero variance estimator does exist, but that its computation requires exact knowledge of the solution. A simple random walk with an associated killing model for the scatter of neutrons is introduced. Large deviation results for optimal importance sampling in random walks are extended to the case where killing is present. An adaptive ``learning`` algorithm for implementing importance sampling is given for more general Markov chain models of neutron scatter. For finite state spaces this algorithm is shown to give with probability one, a sequence of estimates converging exponentially fast to the true solution.« less

Random walk numerical simulation for hopping transport at finite carrier concentrations: diffusion coefficient and transport energy concept.

PubMed

Gonzalez-Vazquez, J P; Anta, Juan A; Bisquert, Juan

2009-11-28

The random walk numerical simulation (RWNS) method is used to compute diffusion coefficients for hopping transport in a fully disordered medium at finite carrier concentrations. We use Miller-Abrahams jumping rates and an exponential distribution of energies to compute the hopping times in the random walk simulation. The computed diffusion coefficient shows an exponential dependence with respect to Fermi-level and Arrhenius behavior with respect to temperature. This result indicates that there is a well-defined transport level implicit to the system dynamics. To establish the origin of this transport level we construct histograms to monitor the energies of the most visited sites. In addition, we construct "corrected" histograms where backward moves are removed. Since these moves do not contribute to transport, these histograms provide a better estimation of the effective transport level energy. The analysis of this concept in connection with the Fermi-level dependence of the diffusion coefficient and the regime of interest for the functioning of dye-sensitised solar cells is thoroughly discussed.

MCNPX Cosmic Ray Shielding Calculations with the NORMAN Phantom Model

NASA Technical Reports Server (NTRS)

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.

Monte Carlo simulations of quantum dot solar concentrators: ray tracing based on fluorescence mapping

NASA Astrophysics Data System (ADS)

Schuler, A.; Kostro, A.; Huriet, B.; Galande, C.; Scartezzini, J.-L.

2008-08-01

One promising application of semiconductor nanostructures in the field of photovoltaics might be quantum dot solar concentrators. Quantum dot containing nanocomposite thin films are synthesized at EPFL-LESO by a low cost sol-gel process. In order to study the potential of the novel planar photoluminescent concentrators, reliable computer simulations are needed. A computer code for ray tracing simulations of quantum dot solar concentrators has been developed at EPFL-LESO on the basis of Monte Carlo methods that are applied to polarization-dependent reflection/transmission at interfaces, photon absorption by the semiconductor nanocrystals and photoluminescent reemission. The software allows importing measured or theoretical absorption/reemission spectra describing the photoluminescent properties of the quantum dots. Hereby the properties of photoluminescent reemission are described by a set of emission spectra depending on the energy of the incoming photon, allowing to simulate the photoluminescent emission using the inverse function method. By our simulations, the importance of two main factors is revealed, an emission spectrum matched to the spectral efficiency curve of the photovoltaic cell, and a large Stokes shift, which is advantageous for the lateral energy transport. No significant energy losses are implied when the quantum dots are contained within a nanocomposite coating instead of being dispersed in the entire volume of the pane. Together with the knowledge on the optoelectronical properties of suitable photovoltaic cells, the simulations allow to predict the total efficiency of the envisaged concentrating PV systems, and to optimize photoluminescent emission frequencies, optical densities, and pane dimensions.

Effect of clenbuterol on tracheal mucociliary transport in horses undergoing simulated long-distance transportation.

PubMed

Norton, J L; Jackson, K; Chen, J W; Boston, R; Nolen-Walston, R D

2013-01-01

Pneumonia is observed in horses after long-distance transportation in association with confinement of head position leading to reduction in tracheal mucociliary clearance rate (TMCR). Clenbuterol, a beta-2 agonist shown to increase TMCR in the horse, will ameliorate the effects of a fixed elevated head position on large airway contamination and inflammation in a model of long-distance transportation model. Six adult horses. A cross-over designed prospective study. Horses were maintained with a fixed elevated head position for 48 hours to simulate long-distance transport, and treated with clenbuterol (0.8 μg/kg PO q12h) or a placebo starting 12 hours before simulated transportation. TMCR was measured using a charcoal clearance technique. Data were collected at baseline and 48 hours, and included TMCR, tracheal wash cytology and quantitative culture, rectal temperature, CBC, fibrinogen, and serum TNFα, IL-10, and IL-2 levels. There was a 18-21 day washout between study arms, and data were analyzed using regression analysis and Wilcoxon rank-sum tests. Tracheal mucociliary clearance rate was significantly decreased after transportation in both treatment (P = .002) and placebo (P = .03) groups. There was a significant effect of treatment on TMCR, with the treatment group showing half the reduction in TMCR compared with the placebo group (P = .002). Other significant differences between before- and after-transportation samples occurred for serum fibrinogen, peripheral eosinophil count, quantitative culture, tracheal bacteria, and degenerate neutrophils, though no treatment effect was found. Treatment with clenbuterol modestly attenuates the deleterious effects of this long-distance transportation model on tracheal mucociliary clearance. Copyright © 2013 by the American College of Veterinary Internal Medicine.

Water transport in limestone by X-ray CAT scanning

USGS Publications Warehouse

Mossoti, Victor G.; Castanier, Louis M.

1989-01-01

The transport of water through the interior of Salem limestone test briquettes can be dynamically monitored by computer aided tomography (commonly called CAT scanning in medical diagnostics). Most significantly, unless evaporation from a particular face of the briquette is accelerated by forced air flow (wind simulation), the distribution of water in the interior of the briquette remains more or less uniform throughout the complete drying cycle. Moreover, simulated solar illumination of the test briquette does not result in the production of significant water gradients in the briquette under steady-state drying conditions.

Bio-Inspired Multi-Functional Drug Transport Design Concept and Simulations.

PubMed

Pidaparti, Ramana M; Cartin, Charles; Su, Guoguang

2017-04-25

In this study, we developed a microdevice concept for drug/fluidic transport taking an inspiration from supramolecular motor found in biological cells. Specifically, idealized multi-functional design geometry (nozzle/diffuser/nozzle) was developed for (i) fluidic/particle transport; (ii) particle separation; and (iii) droplet generation. Several design simulations were conducted to demonstrate the working principles of the multi-functional device. The design simulations illustrate that the proposed design concept is feasible for multi-functionality. However, further experimentation and optimization studies are needed to fully evaluate the multifunctional device concept for multiple applications.

Sensitivity of chemistry-transport model simulations to the duration of chemical and transport operators: a case study with GEOS-Chem v10-01

NASA Astrophysics Data System (ADS)

Philip, Sajeev; Martin, Randall V.; Keller, Christoph A.

2016-05-01

Chemistry-transport models involve considerable computational expense. Fine temporal resolution offers accuracy at the expense of computation time. Assessment is needed of the sensitivity of simulation accuracy to the duration of chemical and transport operators. We conduct a series of simulations with the GEOS-Chem chemistry-transport model at different temporal and spatial resolutions to examine the sensitivity of simulated atmospheric composition to operator duration. Subsequently, we compare the species simulated with operator durations from 10 to 60 min as typically used by global chemistry-transport models, and identify the operator durations that optimize both computational expense and simulation accuracy. We find that longer continuous transport operator duration increases concentrations of emitted species such as nitrogen oxides and carbon monoxide since a more homogeneous distribution reduces loss through chemical reactions and dry deposition. The increased concentrations of ozone precursors increase ozone production with longer transport operator duration. Longer chemical operator duration decreases sulfate and ammonium but increases nitrate due to feedbacks with in-cloud sulfur dioxide oxidation and aerosol thermodynamics. The simulation duration decreases by up to a factor of 5 from fine (5 min) to coarse (60 min) operator duration. We assess the change in simulation accuracy with resolution by comparing the root mean square difference in ground-level concentrations of nitrogen oxides, secondary inorganic aerosols, ozone and carbon monoxide with a finer temporal or spatial resolution taken as "truth". Relative simulation error for these species increases by more than a factor of 5 from the shortest (5 min) to longest (60 min) operator duration. Chemical operator duration twice that of the transport operator duration offers more simulation accuracy per unit computation. However, the relative simulation error from coarser spatial resolution generally

Simulation and Laboratory results of the Hard X-ray Polarimeter: X-Calibur

NASA Astrophysics Data System (ADS)

Guo, Qingzhen; Beilicke, M.; Kislat, F.; Krawczynski, H.

2014-01-01

X-ray polarimetry promises to give qualitatively new information about high-energy sources, such as binary black hole (BH) systems, Microquasars, active galactic nuclei (AGN), GRBs, etc. We designed, built and tested a hard X-ray polarimeter 'X-Calibur' to be flown in the focal plane of the InFOCuS grazing incidence hard X-ray telescope in 2014. X-Calibur combines a low-Z Compton scatterer with a CZT detector assembly to measure the polarization of 20- 80 keV X-rays making use of the fact that polarized photons Compton scatter preferentially perpendicular to the E field orientation. X-Calibur achieves a high detection efficiency of order unity. We optimized of the design of the instrument based on Monte Carlo simulations of polarized and unpolarized X-ray beams and of the most important background components. We have calibrated and tested X-Calibur extensively in the laboratory at Washington University and at the Cornell High-Energy Synchrotron Source (CHESS). Measurements using the highly polarized synchrotron beam at CHESS confirm the polarization sensitivity of the instrument. In this talk we report on the optimization of the design of the instrument based on Monte Carlo simulations, as well as results of laboratory calibration measurements characterizing the performance of the instrument.

Earth Model with Laser Beam Simulating Seismic Ray Paths.

ERIC Educational Resources Information Center

Ryan, John Arthur; Handzus, Thomas Jay, Jr.

1988-01-01

Described is a simple device, that uses a laser beam to simulate P waves. It allows students to follow ray paths, reflections and refractions within the earth. Included is a set of exercises that lead students through the steps by which the presence of the outer and inner cores can be recognized. (Author/CW)

Introduction of Shear-Based Transport Mechanisms in Radial-Axial Hybrid Hall Thruster Simulations

NASA Astrophysics Data System (ADS)

Scharfe, Michelle; Gascon, Nicolas; Scharfe, David; Cappelli, Mark; Fernandez, Eduardo

2007-11-01

Electron diffusion across magnetic field lines in Hall effect thrusters is experimentally observed to be higher than predicted by classical diffusion theory. Motivated by theoretical work for fusion applications and experimental measurements of Hall thrusters, numerical models for the electron transport are implemented in radial-axial hybrid simulations in order to compute the electron mobility using simulated plasma properties and fitting parameters. These models relate the cross-field transport to the imposed magnetic field distribution through shear suppression of turbulence-enhanced transport. While azimuthal waves likely enhance cross field mobility, axial shear in the electron fluid may reduce transport due to a reduction in turbulence amplitudes and modification of phase shifts between fluctuating properties. The sensitivity of the simulation results to the fitting parameters is evaluated and an examination is made of the transportability of these parameters to several Hall thruster devices.

Simulations of X-ray diffraction of shock-compressed single-crystal tantalum with synchrotron undulator sources

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tang, M. X.; Zhang, Y. Y.; E, J. C.

Polychromatic synchrotron undulator X-ray sources are useful for ultrafast single-crystal diffraction under shock compression. Here, simulations of X-ray diffraction of shock-compressed single-crystal tantalum with realistic undulator sources are reported, based on large-scale molecular dynamics simulations. Purely elastic deformation, elastic–plastic two-wave structure, and severe plastic deformation under different impact velocities are explored, as well as an edge release case. Transmission-mode diffraction simulations consider crystallographic orientation, loading direction, incident beam direction, X-ray spectrum bandwidth and realistic detector size. Diffraction patterns and reciprocal space nodes are obtained from atomic configurations for different loading (elastic and plastic) and detection conditions, and interpretation of themore » diffraction patterns is discussed.« less

Hydrodynamic simulations of stellar wind disruption by a compact X-ray source

NASA Technical Reports Server (NTRS)

Blondin, John M.; Kallman, Timothy R.; Fryxell, Bruce A.; Taam, Ronald E.

1990-01-01

This paper presents two-dimensional numerical simulations of the gas flow in the orbital plane of a massive X-ray binary system, in which the mass accretion is fueled by a radiation-driven wind from an early-type companion star. These simulations are used to examine the role of the compact object (either a neutron star or a black hole) in disturbing the radiatively accelerating wind of the OB companion, with an emphasis on understanding the origin of the observed soft X-ray photoelectric absorption seen at late orbital phases in these systems. On the basis of these simulations, it is suggested that the phase-dependent photoelectric absorption seen in several of these systems can be explained by dense filaments of compressend gas formed in the nonsteady accreation bow shock and wake of the compact object.

Simulation of gamma-ray spectra for a variety of user-specified detector designs

NASA Technical Reports Server (NTRS)

Rester, A. C., Jr.

1994-01-01

The gamma-ray spectrum simulation program BSIMUL was designed to allow the operator to follow the path of a gamma-ray through a detector, shield and collimator whose dimensions are entered by the operator. It can also be used to simulate spectra that would be generated by a detector. Several improvements have been made to the program within the last few months. The detector, shield and collimator dimensions can now be entered through an interactive menu whose options are discussed below. In addition, spectra containing more than one gamma-ray energy can now be generated with the menu - for isotopes listed in the program. Adding isotopes to the main routine is also quite easy. Subroutines have been added to enable the operator to specify the material and dimensions of a collimator. This report details the progress made in simulating gamma-ray spectra for a variety of user-specified detector designs. In addition, a short discussion of work done in the related areas of pulse shape analysis and the spectral analysis is included. The pulse shape analysis and spectral analysis work is being performed pursuant to the requirements of contract F-94-C-0006, for the Advanced Research Projects Agency and the U.S. Air Force.

MCNP6 simulation of radiographs generated from megaelectron volt X-rays for characterizing a computed tomography system

NASA Astrophysics Data System (ADS)

Dooraghi, Alex A.; Tringe, Joseph W.

2018-04-01

To evaluate conventional munition, we simulated an x-ray computed tomography (CT) system for generating radiographs from nominal x-ray energies of 6 or 9 megaelectron volts (MeV). CT simulations, informed by measured data, allow for optimization of both system design and acquisition techniques necessary to enhance image quality. MCNP6 radiographic simulation tools were used to model ideal detector responses (DR) that assume either (1) a detector response proportional to photon flux (N) or (2) a detector response proportional to energy flux (E). As scatter may become significant with MeV x-ray systems, simulations were performed with and without the inclusion of object scatter. Simulations were compared against measurements of a cylindrical munition component principally composed of HMX, tungsten and aluminum encased in carbon fiber. Simulations and measurements used a 6 MeV peak energy x-ray spectrum filtered with 3.175 mm of tantalum. A detector response proportional to energy which includes object scatter agrees to within 0.6 % of the measured line integral of the linear attenuation coefficient. Exclusion of scatter increases the difference between measurement and simulation to 5 %. A detector response proportional to photon flux agrees to within 20 % when object scatter is included in the simulation and 27 % when object scatter is excluded.

Kinetic Theory and Simulation of Single-Channel Water Transport

NASA Astrophysics Data System (ADS)

Tajkhorshid, Emad; Zhu, Fangqiang; Schulten, Klaus

Water translocation between various compartments of a system is a fundamental process in biology of all living cells and in a wide variety of technological problems. The process is of interest in different fields of physiology, physical chemistry, and physics, and many scientists have tried to describe the process through physical models. Owing to advances in computer simulation of molecular processes at an atomic level, water transport has been studied in a variety of molecular systems ranging from biological water channels to artificial nanotubes. While simulations have successfully described various kinetic aspects of water transport, offering a simple, unified model to describe trans-channel translocation of water turned out to be a nontrivial task.

Database Driven 6-DOF Trajectory Simulation for Debris Transport Analysis

NASA Technical Reports Server (NTRS)

West, Jeff

2008-01-01

Debris mitigation and risk assessment have been carried out by NASA and its contractors supporting Space Shuttle Return-To-Flight (RTF). As a part of this assessment, analysis of transport potential for debris that may be liberated from the vehicle or from pad facilities prior to tower clear (Lift-Off Debris) is being performed by MSFC. This class of debris includes plume driven and wind driven sources for which lift as well as drag are critical for the determination of the debris trajectory. As a result, NASA MSFC has a need for a debris transport or trajectory simulation that supports the computation of lift effect in addition to drag without the computational expense of fully coupled CFD with 6-DOF. A database driven 6-DOF simulation that uses aerodynamic force and moment coefficients for the debris shape that are interpolated from a database has been developed to meet this need. The design, implementation, and verification of the database driven six degree of freedom (6-DOF) simulation addition to the Lift-Off Debris Transport Analysis (LODTA) software are discussed in this paper.

Validation of the mean radiant temperature simulated by the RayMan software in urban environments.

PubMed

Lee, Hyunjung; Mayer, Helmut

2016-11-01

The RayMan software is worldwide applied in investigations on different issues in human-biometeorology. However, only the simulated mean radiant temperature (T mrt ) has been validated so far in a few case studies. They are based on T mrt values, which were experimentally determined in urban environments by use of a globe thermometer or applying the six-directional method. This study analyses previous T mrt validations in a comparative manner. Their results are extended by a recent validation of T mrt in an urban micro-environment in Freiburg (southwest Germany), which can be regarded as relatively heterogeneous due to different shading intensities by tree crowns. In addition, a validation of the physiologically equivalent temperature (PET) simulated by RayMan is conducted for the first time. The validations are based on experimentally determined T mrt and PET values, which were calculated from measured meteorological variables in the daytime of a clear-sky summer day. In total, the validation results show that RayMan is capable of simulating T mrt satisfactorily under relatively homogeneous site conditions. However, the inaccuracy of simulated T mrt is increasing with lower sun elevation and growing heterogeneity of the simulation site. As T mrt represents the meteorological variable that mostly governs PET in the daytime of clear-sky summer days, the accuracy of simulated T mrt is mainly responsible for the accuracy of simulated PET. The T mrt validations result in some recommendations, which concern an update of physical principles applied in the RayMan software to simulate the short- and long-wave radiant flux densities, especially from vertical building walls and tree crowns.

A Monte Carlo Ray Tracing Model to Improve Simulations of Solar-Induced Chlorophyll Fluorescence Radiative Transfer

NASA Astrophysics Data System (ADS)

Halubok, M.; Gu, L.; Yang, Z. L.

2017-12-01

A model of light transport in a three-dimensional vegetation canopy is being designed and evaluated. The model employs Monte Carlo ray tracing technique which offers simple yet rigorous approach of quantifying the photon transport in a plant canopy. This method involves simulation of a chain of scattering and absorption events incurred by a photon on its path from the light source. Implementation of weighting mechanism helps avoid `all-or-nothing' type of interaction between a photon packet and a canopy element, i.e. at each interaction a photon packet is split into three parts, namely, reflected, transmitted and absorbed, instead of assuming complete absorption, reflection or transmission. Canopy scenes in the model are represented by a number of polygons with specified set of reflectances and transmittances. The performance of the model is being evaluated through comparison against established plant canopy reflectance models, such as 3D Radiosity-Graphics combined model which calculates bidirectional reflectance distribution function of a 3D canopy scene. This photon transport model is to be coupled to a leaf level solar-induced chlorophyll fluorescence (SIF) model with the aim of further advancing of accuracy of the modeled SIF, which, in its turn, has a potential of improving our predictive capability of terrestrial carbon uptake.

VS2DRTI: Simulating Heat and Reactive Solute Transport in Variably Saturated Porous Media.

PubMed

Healy, Richard W; Haile, Sosina S; Parkhurst, David L; Charlton, Scott R

2018-01-29

Variably saturated groundwater flow, heat transport, and solute transport are important processes in environmental phenomena, such as the natural evolution of water chemistry of aquifers and streams, the storage of radioactive waste in a geologic repository, the contamination of water resources from acid-rock drainage, and the geologic sequestration of carbon dioxide. Up to now, our ability to simulate these processes simultaneously with fully coupled reactive transport models has been limited to complex and often difficult-to-use models. To address the need for a simple and easy-to-use model, the VS2DRTI software package has been developed for simulating water flow, heat transport, and reactive solute transport through variably saturated porous media. The underlying numerical model, VS2DRT, was created by coupling the flow and transport capabilities of the VS2DT and VS2DH models with the equilibrium and kinetic reaction capabilities of PhreeqcRM. Flow capabilities include two-dimensional, constant-density, variably saturated flow; transport capabilities include both heat and multicomponent solute transport; and the reaction capabilities are a complete implementation of geochemical reactions of PHREEQC. The graphical user interface includes a preprocessor for building simulations and a postprocessor for visual display of simulation results. To demonstrate the simulation of multiple processes, the model is applied to a hypothetical example of injection of heated waste water to an aquifer with temperature-dependent cation exchange. VS2DRTI is freely available public domain software. © 2018, National Ground Water Association.

Simulation of a compact analyzer-based imaging system with a regular x-ray source

NASA Astrophysics Data System (ADS)

Caudevilla, Oriol; Zhou, Wei; Stoupin, Stanislav; Verman, Boris; Brankov, J. G.

2017-03-01

Analyzer-based Imaging (ABI) belongs to a broader family of phase-contrast (PC) X-ray techniques. PC measures X-ray deflection phenomena when interacting with a sample, which is known to provide higher contrast images of soft tissue than other X-ray methods. This is of high interest in the medical field, in particular for mammogram applications. This paper presents a simulation tool for table-top ABI systems using a conventional polychromatic X-ray source.

Simulation of image formation in x-ray coded aperture microscopy with polycapillary optics.

PubMed

Korecki, P; Roszczynialski, T P; Sowa, K M

2015-04-06

In x-ray coded aperture microscopy with polycapillary optics (XCAMPO), the microstructure of focusing polycapillary optics is used as a coded aperture and enables depth-resolved x-ray imaging at a resolution better than the focal spot dimensions. Improvements in the resolution and development of 3D encoding procedures require a simulation model that can predict the outcome of XCAMPO experiments. In this work we introduce a model of image formation in XCAMPO which enables calculation of XCAMPO datasets for arbitrary positions of the object relative to the focal plane as well as to incorporate optics imperfections. In the model, the exit surface of the optics is treated as a micro-structured x-ray source that illuminates a periodic object. This makes it possible to express the intensity of XCAMPO images as a convolution series and to perform simulations by means of fast Fourier transforms. For non-periodic objects, the model can be applied by enforcing artificial periodicity and setting the spatial period larger then the field-of-view. Simulations are verified by comparison with experimental data.

Simulating nanoparticle transport in 3D geometries with MNM3D

NASA Astrophysics Data System (ADS)

Bianco, Carlo; Tosco, Tiziana; Sethi, Rajandrea

2017-04-01

The application of NP transport to real cases, such as the design of a field-scale injection or the prediction of the long term fate of nanoparticles (NPs) in the environment, requires the support of mathematical tools to effectively assess the expected NP mobility at the field scale. In general, micro- and nanoparticle transport in porous media is controlled by particle-particle and particle-porous media interactions, which are in turn affected by flow velocity and pore water chemistry. During the injection, a strong perturbation of the flow field is induced around the well, and the NP transport is mainly controlled by the consequent sharp variation of pore-water velocity. Conversely, when the injection is stopped, the particles are transported solely due to the natural flow, and the influence of groundwater geochemistry (ionic strength, IS, in particular) on the particle behaviour becomes predominant. Pore-water velocity and IS are therefore important parameters influencing particle transport in groundwater, and have to be taken into account by the numerical codes used to simulate NP transport. Several analytical and numerical tools have been developed in recent years to model the transport of colloidal particles in simplified geometry and boundary conditions. For instance, the numerical tool MNMs was developed by the authors of this work to simulate colloidal transport in 1D Cartesian and radial coordinates. Only few simulation tools are instead available for 3D colloid transport, and none of them implements direct correlations accounting for variations of groundwater IS and flow velocity. In this work a new modelling tool, MNM3D (Micro and Nanoparticle transport Model in 3D geometries), is proposed for the simulation of injection and transport of nanoparticle suspensions in generic complex scenarios. MNM3D implements a new formulation to account for the simultaneous dependency of the attachment and detachment kinetic coefficients on groundwater IS and velocity

Galactic Cosmic Ray Simulator at the NASA Space Radiation Laboratory

NASA Technical Reports Server (NTRS)

Norbury, John W.; Slaba, Tony C.; Rusek, Adam

2015-01-01

The external Galactic Cosmic Ray (GCR) spectrum is significantly modified when it passes through spacecraft shielding and astronauts. One approach for simulating the GCR space radiation environment is to attempt to reproduce the unmodified, external GCR spectrum at a ground based accelerator. A possibly better approach would use the modified, shielded tissue spectrum, to select accelerator beams impinging on biological targets. NASA plans for implementation of a GCR simulator at the NASA Space Radiation Laboratory (NSRL) at Brookhaven National Laboratory will be discussed.

Alfven wave transport effects in the time evolution of parallel cosmic-ray modified shocks

NASA Technical Reports Server (NTRS)

Jones, T. W.

1993-01-01

Some of the issues associated with a more complete treatment of Alfven transport in cosmic ray shocks are explored qualitatively. The treatment is simplified in some important respects, but some new issues are examined and for the first time a nonlinear, time dependent study of plane cosmic ray mediated shocks with both the entropy producing effects of wave dissipation and effects due to the Alfven wave advection of the cosmic ray relative to the gas is included. Examination of the direct consequences of including the pressure and energy of the Alfven waves in the formalism began.

Geant4 simulations of soft proton scattering in X-ray optics. A tentative validation using laboratory measurements

NASA Astrophysics Data System (ADS)

Fioretti, Valentina; Mineo, Teresa; Bulgarelli, Andrea; Dondero, Paolo; Ivanchenko, Vladimir; Lei, Fan; Lotti, Simone; Macculi, Claudio; Mantero, Alfonso

2017-12-01

Low energy protons (< 300 keV) can enter the field of view of X-ray telescopes, scatter on their mirror surfaces at small incident angles, and deposit energy on the detector. This phenomenon can cause intense background flares at the focal plane decreasing the mission observing time (e.g. the XMM-Newton mission) or in the most extreme cases, damaging the X-ray detector. A correct modelization of the physics process responsible for the grazing angle scattering processes is mandatory to evaluate the impact of such events on the performance (e.g. observation time, sensitivity) of future X-ray telescopes as the ESA ATHENA mission. The Remizovich model describes particles reflected by solids at glancing angles in terms of the Boltzmann transport equation using the diffuse approximation and the model of continuous slowing down in energy. For the first time this solution, in the approximation of no energy losses, is implemented, verified, and qualitatively validated on top of the Geant4 release 10.2, with the possibility to add a constant energy loss to each interaction. This implementation is verified by comparing the simulated proton distribution to both the theoretical probability distribution and with independent ray-tracing simulations. Both the new scattering physics and the Coulomb scattering already built in the official Geant4 distribution are used to reproduce the latest experimental results on grazing angle proton scattering. At 250 keV multiple scattering delivers large proton angles and it is not consistent with the observation. Among the tested models, the single scattering seems to better reproduce the scattering efficiency at the three energies but energy loss obtained at small scattering angles is significantly lower than the experimental values. In general, the energy losses obtained in the experiment are higher than what obtained by the simulation. The experimental data are not completely representative of the soft proton scattering experienced by

Implications of Lagrangian transport for coupled chemistry-climate simulations

NASA Astrophysics Data System (ADS)

Stenke, A.; Dameris, M.; Grewe, V.; Garny, H.

2008-10-01

For the first time a purely Lagrangian transport algorithm is applied in a fully coupled chemistry-climate model (CCM). We use the Lagrangian scheme ATTILA for the transport of water vapour, cloud water and chemical trace species in the ECHAM4.L39(DLR)/CHEM (E39C) CCM. The advantage of the Lagrangian approach is that it is numerically non-diffusive and therefore maintains steeper and more realistic gradients than the operational semi-Lagrangian transport scheme. In case of radiatively active species changes in the simulated distributions feed back to model dynamics which in turn affect the modelled transport. The implications of the Lagrangian transport scheme for stratospheric model dynamics and tracer distributions in the upgraded model version E39C-ATTILA (E39C-A) are evaluated by comparison with observations and results of the E39C model with the operational semi-Lagrangian advection scheme. We find that several deficiencies in stratospheric dynamics in E39C seem to originate from a pronounced modelled wet bias and an associated cold bias in the extra-tropical lowermost stratosphere. The reduction of the simulated moisture and temperature bias in E39C-A leads to a significant advancement of stratospheric dynamics in terms of the mean state as well as annual and interannual variability. As a consequence of the favourable numerical characteristics of the Lagrangian transport scheme and the improved model dynamics, E39C-A generally shows more realistic stratospheric tracer distributions: Compared to E39C high stratospheric chlorine (Cly) concentrations extend further downward and agree now well with analyses derived from observations. Therefore E39C-A realistically covers the altitude of maximum ozone depletion in the stratosphere. The location of the ozonopause, i.e. the transition from low tropospheric to high stratospheric ozone values, is also clearly improved in E39C-A. Furthermore, the simulated temporal evolution of stratospheric Cly in the past is

Molecular dynamics simulations of Li transport between cathode crystals

NASA Astrophysics Data System (ADS)

Garofalini, S. H.

The molecular dynamics (MD) computer simulation technique has been used to study the effect of an amorphous intergranular film (IGF) present in a polycrystalline cathode on Li transport. The solid electrolyte is a model lithium silicate glass while the cathode is a nanocrystalline vanadia with an amorphous V 2O 5 IGF separating the crystals. Thin (˜1 to a few nanometer thick) IGFs are known to be present in most polycrystalline oxide materials. However, the role of such a film on Li transport in oxide cathodes has not been addressed. Current scanning probe microscopy (SPM) studies have shown that the orientation of the layered nanocrystalline vanadia crystals near the cathode/solid electrolyte interface is not optimized for Li ion transport. While the precise structure of the material between the crystals has not been identified, initially it can be initially considered as likely to be a thin non-crystalline (amorphous) film. This is based on the ubiquitous presence of such a structure in other polycrystalline oxides. Also, and with more relevance to the materials used in thin film batteries, an amorphous film can be expected to form between nanocrystals that crystallized from an amorphous matrix, as would be the case in a deposited thin film cathode. Consistent with simulations of Li transport in amorphous vanadia, the current simulations show that Li ions diffuse more rapidly into the amorphous intergranular thin film than into the layered vanadia with the (0 0 1) planes parallel to the cathode/electrolyte interface.

The NO vA simulation chain

DOE PAGES

Aurisano, A.; Backhouse, C.; Hatcher, R.; ...

2015-12-23

The NO vA experiment is a two-detector, long-baseline neutrino experiment operating in the recently upgraded NuMI muon neutrino beam. Simulating neutrino interactions and backgrounds requires many steps including: the simulation of the neutrino beam flux using FLUKA and the FLUGG interface, cosmic ray generation using CRY, neutrino interaction modeling using GENIE, and a simulation of the energy deposited in the detector using GEANT4. To shorten generation time, the modeling of detector-specific aspects, such as photon transport, detector and electronics noise, and readout electronics, employs custom, parameterized simulation applications. We will describe the NO vA simulation chain, and present details onmore » the techniques used in modeling photon transport near the ends of cells, and in developing a novel data-driven noise simulation. Due to the high intensity of the NuMI beam, the Near Detector samples a high rate of muons originating in the surrounding rock. In addition, due to its location on the surface at Ash River, MN, the Far Detector collects a large rate ((˜) 140 kHz) of cosmic muons. Furthermore, we will discuss the methods used in NO vA for overlaying rock muons and cosmic ray muons with simulated neutrino interactions and show how realistically the final simulation reproduces the preliminary NO vA data.« less

Comparing FDTD and Ray-Tracing Models in Numerical Simulation of HgCdTe LWIR Photodetectors

NASA Astrophysics Data System (ADS)

Vallone, Marco; Goano, Michele; Bertazzi, Francesco; Ghione, Giovanni; Schirmacher, Wilhelm; Hanna, Stefan; Figgemeier, Heinrich

2016-09-01

We present a simulation study of HgCdTe-based long-wavelength infrared detectors, focusing on methodological comparisons between the finite-difference time-domain (FDTD) and ray-tracing optical models. We performed three-dimensional simulations to determine the absorbed photon density distributions and the corresponding photocurrent and quantum efficiency spectra of isolated n-on- p uniform-composition pixels, systematically comparing the results obtained with FDTD and ray tracing. Since ray tracing is a classical optics approach, unable to describe interference effects, its applicability has been found to be strongly wavelength dependent, especially when reflections from metallic layers are relevant. Interesting cavity effects around the material cutoff wavelength are described, and the cases where ray tracing can be considered a viable approximation are discussed.

Cosmic-ray neutron simulations and measurements in Taiwan.

PubMed

Chen, Wei-Lin; Jiang, Shiang-Huei; Sheu, Rong-Jiun

2014-10-01

This study used simulations of galactic cosmic ray in the atmosphere to investigate the neutron background environment in Taiwan, emphasising its altitude dependence and spectrum variation near interfaces. The calculated results were analysed and compared with two measurements. The first measurement was a mobile neutron survey from sea level up to 3275 m in altitude conducted using a car-mounted high-sensitivity neutron detector. The second was a previous measured result focusing on the changes in neutron spectra near air/ground and air/water interfaces. The attenuation length of cosmic-ray neutrons in the lower atmosphere was estimated to be 163 g cm(-2) in Taiwan. Cosmic-ray neutron spectra vary with altitude and especially near interfaces. The determined spectra near the air/ground and air/water interfaces agree well with measurements for neutrons below 10 MeV. However, the high-energy portion of spectra was observed to be much higher than our previous estimation. Because high-energy neutrons contribute substantially to a dose evaluation, revising the annual sea-level effective dose from cosmic-ray neutrons at ground level in Taiwan to 35 μSv, which corresponds to a neutron flux of 5.30 × 10(-3) n cm(-2) s(-1), was suggested. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

X-ray microanalysis of porous materials using Monte Carlo simulations.

PubMed

Poirier, Dominique; Gauvin, Raynald

2011-01-01

Quantitative X-ray microanalysis models, such as ZAF or φ(ρz) methods, are normally based on solid, flat-polished specimens. This limits their use in various domains where porous materials are studied, such as powder metallurgy, catalysts, foams, etc. Previous experimental studies have shown that an increase in porosity leads to a deficit in X-ray emission for various materials, such as graphite, Cr(2) O(3) , CuO, ZnS (Ichinokawa et al., '69), Al(2) O(3) , and Ag (Lakis et al., '92). However, the mechanisms responsible for this decrease are unclear. The porosity by itself does not explain the loss in intensity, other mechanisms have therefore been proposed, such as extra energy loss by the diffusion of electrons by surface plasmons generated at the pores-solid interfaces, surface roughness, extra charging at the pores-solid interface, or carbon diffusion in the pores. However, the exact mechanism is still unclear. In order to better understand the effects of porosity on quantitative microanalysis, a new approach using Monte Carlo simulations was developed by Gauvin (2005) using a constant pore size. In this new study, the X-ray emissions model was modified to include a random log normal distribution of pores size in the simulated materials. This article presents, after a literature review of the previous works performed about X-ray microanalysis of porous materials, some of the results obtained with Gauvin's modified model. They are then compared with experimental results. Copyright © 2011 Wiley Periodicals, Inc.

X-ray transport and radiation response assessment (XTRRA) experiments at the National Ignition Facility.

PubMed

Fournier, K B; Brown, C G; Yeoman, M F; Fisher, J H; Seiler, S W; Hinshelwood, D; Compton, S; Holdener, F R; Kemp, G E; Newlander, C D; Gilliam, R P; Froula, N; Lilly, M; Davis, J F; Lerch, Maj A; Blue, B E

2016-11-01

Our team has developed an experimental platform to evaluate the x-ray-generated stress and impulse in materials. Experimental activities include x-ray source development, design of the sample mounting hardware and sensors interfaced to the National Ignition Facility's diagnostics insertion system, and system integration into the facility. This paper focuses on the X-ray Transport and Radiation Response Assessment (XTRRA) test cassettes built for these experiments. The test cassette is designed to position six samples at three predetermined distances from the source, each known to within ±1% accuracy. Built-in calorimeters give in situ measurements of the x-ray environment along the sample lines of sight. The measured accuracy of sample responses as well as planned modifications to the XTRRA cassette is discussed.

Implementing and Simulating Dynamic Traffic Assignment with Intelligent Transportation Systems in Cube Avenue

NASA Technical Reports Server (NTRS)

Foytik, Peter; Robinson, Mike

2010-01-01

As urban populations and traffic congestion levels increase, effective use of information and communication tools and intelligent transportation systems as becoming increasingly important in order to maximize the efficiency of transportation networks. The appropriate placement and employment of these tools within a network is critical to their effectiveness. This presentation proposes and demonstrates the use of a commercial transportation simulation tool to simulate dynamic traffic assignment and rerouting to model route modifications as a result of traffic information.

A comprehensive simulation framework for imaging single particles and biomolecules at the European X-ray Free-Electron Laser

PubMed Central

Yoon, Chun Hong; Yurkov, Mikhail V.; Schneidmiller, Evgeny A.; Samoylova, Liubov; Buzmakov, Alexey; Jurek, Zoltan; Ziaja, Beata; Santra, Robin; Loh, N. Duane; Tschentscher, Thomas; Mancuso, Adrian P.

2016-01-01

The advent of newer, brighter, and more coherent X-ray sources, such as X-ray Free-Electron Lasers (XFELs), represents a tremendous growth in the potential to apply coherent X-rays to determine the structure of materials from the micron-scale down to the Angstrom-scale. There is a significant need for a multi-physics simulation framework to perform source-to-detector simulations for a single particle imaging experiment, including (i) the multidimensional simulation of the X-ray source; (ii) simulation of the wave-optics propagation of the coherent XFEL beams; (iii) atomistic modelling of photon-material interactions; (iv) simulation of the time-dependent diffraction process, including incoherent scattering; (v) assembling noisy and incomplete diffraction intensities into a three-dimensional data set using the Expansion-Maximisation-Compression (EMC) algorithm and (vi) phase retrieval to obtain structural information. We demonstrate the framework by simulating a single-particle experiment for a nitrogenase iron protein using parameters of the SPB/SFX instrument of the European XFEL. This exercise demonstrably yields interpretable consequences for structure determination that are crucial yet currently unavailable for experiment design. PMID:27109208

A comprehensive simulation framework for imaging single particles and biomolecules at the European X-ray Free-Electron Laser

NASA Astrophysics Data System (ADS)

Yoon, Chun Hong; Yurkov, Mikhail V.; Schneidmiller, Evgeny A.; Samoylova, Liubov; Buzmakov, Alexey; Jurek, Zoltan; Ziaja, Beata; Santra, Robin; Loh, N. Duane; Tschentscher, Thomas; Mancuso, Adrian P.

2016-04-01

The advent of newer, brighter, and more coherent X-ray sources, such as X-ray Free-Electron Lasers (XFELs), represents a tremendous growth in the potential to apply coherent X-rays to determine the structure of materials from the micron-scale down to the Angstrom-scale. There is a significant need for a multi-physics simulation framework to perform source-to-detector simulations for a single particle imaging experiment, including (i) the multidimensional simulation of the X-ray source; (ii) simulation of the wave-optics propagation of the coherent XFEL beams; (iii) atomistic modelling of photon-material interactions; (iv) simulation of the time-dependent diffraction process, including incoherent scattering; (v) assembling noisy and incomplete diffraction intensities into a three-dimensional data set using the Expansion-Maximisation-Compression (EMC) algorithm and (vi) phase retrieval to obtain structural information. We demonstrate the framework by simulating a single-particle experiment for a nitrogenase iron protein using parameters of the SPB/SFX instrument of the European XFEL. This exercise demonstrably yields interpretable consequences for structure determination that are crucial yet currently unavailable for experiment design.

The NorM MATE transporter from N. gonorrhoeae: insights into drug and ion binding from atomistic molecular dynamics simulations.

PubMed

Leung, Yuk Ming; Holdbrook, Daniel A; Piggot, Thomas J; Khalid, Syma

2014-07-15

The multidrug and toxic compound extrusion transporters extrude a wide variety of substrates out of both mammalian and bacterial cells via the electrochemical gradient of protons and cations across the membrane. The substrates transported by these proteins include toxic metabolites and antimicrobial drugs. These proteins contribute to multidrug resistance in both mammalian and bacterial cells and are therefore extremely important from a biomedical perspective. Although specific residues of the protein are known to be responsible for the extrusion of solutes, mechanistic details and indeed structures of all the conformational states remain elusive. Here, we report the first, to our knowledge, simulation study of the recently resolved x-ray structure of the multidrug and toxic compound extrusion transporter, NorM from Neisseria gonorrhoeae (NorM_NG). Multiple, atomistic simulations of the unbound and bound forms of NorM in a phospholipid lipid bilayer allow us to identify the nature of the drug-protein/ion-protein interactions, and secondly determine how these interactions contribute to the conformational rearrangements of the protein. In particular, we identify the molecular rearrangements that occur to enable the Na(+) ion to enter the cation-binding cavity even in the presence of a bound drug molecule. These include side chain flipping of a key residue, GLU-261 from pointing toward the central cavity to pointing toward the cation binding side when bound to a Na(+) ion. Our simulations also provide support for cation binding in the drug-bound and apo states of NorM_NG. Copyright © 2014 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Simulations of eddy kinetic energy transport in barotropic turbulence

NASA Astrophysics Data System (ADS)

Grooms, Ian

2017-11-01

Eddy energy transport in rotating two-dimensional turbulence is investigated using numerical simulation. Stochastic forcing is used to generate an inhomogeneous field of turbulence and the time-mean energy profile is diagnosed. An advective-diffusive model for the transport is fit to the simulation data by requiring the model to accurately predict the observed time-mean energy distribution. Isotropic harmonic diffusion of energy is found to be an accurate model in the case of uniform, solid-body background rotation (the f plane), with a diffusivity that scales reasonably well with a mixing-length law κ ∝V ℓ , where V and ℓ are characteristic eddy velocity and length scales. Passive tracer dynamics are added and it is found that the energy diffusivity is 75 % of the tracer diffusivity. The addition of a differential background rotation with constant vorticity gradient β leads to significant changes to the energy transport. The eddies generate and interact with a mean flow that advects the eddy energy. Mean advection plus anisotropic diffusion (with reduced diffusivity in the direction of the background vorticity gradient) is moderately accurate for flows with scale separation between the eddies and mean flow, but anisotropic diffusion becomes a much less accurate model of the transport when scale separation breaks down. Finally, it is observed that the time-mean eddy energy does not look like the actual eddy energy distribution at any instant of time. In the future, stochastic models of the eddy energy transport may prove more useful than models of the mean transport for predicting realistic eddy energy distributions.

Galactic cosmic ray simulation at the NASA Space Radiation Laboratory

PubMed Central

Norbury, John W.; Schimmerling, Walter; Slaba, Tony C.; Azzam, Edouard I.; Badavi, Francis F.; Baiocco, Giorgio; Benton, Eric; Bindi, Veronica; Blakely, Eleanor A.; Blattnig, Steve R.; Boothman, David A.; Borak, Thomas B.; Britten, Richard A.; Curtis, Stan; Dingfelder, Michael; Durante, Marco; Dynan, William S.; Eisch, Amelia J.; Elgart, S. Robin; Goodhead, Dudley T.; Guida, Peter M.; Heilbronn, Lawrence H.; Hellweg, Christine E.; Huff, Janice L.; Kronenberg, Amy; La Tessa, Chiara; Lowenstein, Derek I.; Miller, Jack; Morita, Takashi; Narici, Livio; Nelson, Gregory A.; Norman, Ryan B.; Ottolenghi, Andrea; Patel, Zarana S.; Reitz, Guenther; Rusek, Adam; Schreurs, Ann-Sofie; Scott-Carnell, Lisa A.; Semones, Edward; Shay, Jerry W.; Shurshakov, Vyacheslav A.; Sihver, Lembit; Simonsen, Lisa C.; Story, Michael D.; Turker, Mitchell S.; Uchihori, Yukio; Williams, Jacqueline; Zeitlin, Cary J.

2017-01-01

Most accelerator-based space radiation experiments have been performed with single ion beams at fixed energies. However, the space radiation environment consists of a wide variety of ion species with a continuous range of energies. Due to recent developments in beam switching technology implemented at the NASA Space Radiation Laboratory (NSRL) at Brookhaven National Laboratory (BNL), it is now possible to rapidly switch ion species and energies, allowing for the possibility to more realistically simulate the actual radiation environment found in space. The present paper discusses a variety of issues related to implementation of galactic cosmic ray (GCR) simulation at NSRL, especially for experiments in radiobiology. Advantages and disadvantages of different approaches to developing a GCR simulator are presented. In addition, issues common to both GCR simulation and single beam experiments are compared to issues unique to GCR simulation studies. A set of conclusions is presented as well as a discussion of the technical implementation of GCR simulation. PMID:26948012

Galactic cosmic ray simulation at the NASA Space Radiation Laboratory.

PubMed

Norbury, John W; Schimmerling, Walter; Slaba, Tony C; Azzam, Edouard I; Badavi, Francis F; Baiocco, Giorgio; Benton, Eric; Bindi, Veronica; Blakely, Eleanor A; Blattnig, Steve R; Boothman, David A; Borak, Thomas B; Britten, Richard A; Curtis, Stan; Dingfelder, Michael; Durante, Marco; Dynan, William S; Eisch, Amelia J; Robin Elgart, S; Goodhead, Dudley T; Guida, Peter M; Heilbronn, Lawrence H; Hellweg, Christine E; Huff, Janice L; Kronenberg, Amy; La Tessa, Chiara; Lowenstein, Derek I; Miller, Jack; Morita, Takashi; Narici, Livio; Nelson, Gregory A; Norman, Ryan B; Ottolenghi, Andrea; Patel, Zarana S; Reitz, Guenther; Rusek, Adam; Schreurs, Ann-Sofie; Scott-Carnell, Lisa A; Semones, Edward; Shay, Jerry W; Shurshakov, Vyacheslav A; Sihver, Lembit; Simonsen, Lisa C; Story, Michael D; Turker, Mitchell S; Uchihori, Yukio; Williams, Jacqueline; Zeitlin, Cary J

2016-02-01

Most accelerator-based space radiation experiments have been performed with single ion beams at fixed energies. However, the space radiation environment consists of a wide variety of ion species with a continuous range of energies. Due to recent developments in beam switching technology implemented at the NASA Space Radiation Laboratory (NSRL) at Brookhaven National Laboratory (BNL), it is now possible to rapidly switch ion species and energies, allowing for the possibility to more realistically simulate the actual radiation environment found in space. The present paper discusses a variety of issues related to implementation of galactic cosmic ray (GCR) simulation at NSRL, especially for experiments in radiobiology. Advantages and disadvantages of different approaches to developing a GCR simulator are presented. In addition, issues common to both GCR simulation and single beam experiments are compared to issues unique to GCR simulation studies. A set of conclusions is presented as well as a discussion of the technical implementation of GCR simulation. Published by Elsevier Ltd.

Impact of Transport Zone Number in Simulation Models on Cost-Benefit Analysis Results in Transport Investments

NASA Astrophysics Data System (ADS)

Chmielewski, Jacek

2017-10-01

Nowadays, feasibility studies need to be prepared for all planned transport investments, mainly those co-financed with UE grants. One of the fundamental aspect of feasibility study is the economic justification of an investment, evaluated in an area of so called cost-benefit analysis (CBA). The main goal of CBA calculation is to prove that a transport investment is really important for the society and should be implemented as economically efficient one. It can be said that the number of hours (PH - passengers hours) in trips and travelled kilometres (PK - passengers kilometres) are the most important for CBA results. The differences between PH and PK calculated for particular investment scenarios are the base for benefits calculation. Typically, transport simulation models are the best source for such data. Transport simulation models are one of the most powerful tools for transport network planning. They make it possible to evaluate forecast traffic volume and passenger flows in a public transport system for defined scenarios of transport and area development. There are many different transport models. Their construction is often similar, and they mainly differ in the level of their accuracy. Even models for the same area may differ in this matter. Typically, such differences come from the accuracy of supply side representation: road and public transport network representation. In many cases only main roads and a public transport network are represented, while local and service roads are eliminated as a way of reality simplification. This also enables a faster and more effective calculation process. On the other hand, the description of demand part of these models based on transport zones is often stable. Difficulties with data collection, mainly data on land use, resulted in the lack of changes in the analysed land division into so called transport zones. In this paper the author presents an influence of land division on the results of traffic analyses, and hence

Simulating tracer transport in variably saturated soils and shallow groundwater

USDA-ARS?s Scientific Manuscript database

The objective of this study was to develop a realistic model to simulate the complex processes of flow and tracer transport in variably saturated soils and to compare simulation results with the detailed monitoring observations. The USDA-ARS OPE3 field site was selected for the case study due to ava...

Monte-Carlo background simulations of present and future detectors in x-ray astronomy

NASA Astrophysics Data System (ADS)

Tenzer, C.; Kendziorra, E.; Santangelo, A.

2008-07-01

Reaching a low-level and well understood internal instrumental background is crucial for the scientific performance of an X-ray detector and, therefore, a main objective of the instrument designers. Monte-Carlo simulations of the physics processes and interactions taking place in a space-based X-ray detector as a result of its orbital environment can be applied to explain the measured background of existing missions. They are thus an excellent tool to predict and optimize the background of future observatories. Weak points of a design and the main sources of the background can be identified and methods to reduce them can be implemented and studied within the simulations. Using the Geant4 Monte-Carlo toolkit, we have created a simulation environment for space-based detectors and we present results of such background simulations for XMM-Newton's EPIC pn-CCD camera. The environment is also currently used to estimate and optimize the background of the future instruments Simbol-X and eRosita.

Simulation framework for intelligent transportation systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ewing, T.; Doss, E.; Hanebutte, U.

1996-10-01

A simulation framework has been developed for a large-scale, comprehensive, scaleable simulation of an Intelligent Transportation System (ITS). The simulator is designed for running on parallel computers and distributed (networked) computer systems, but can run on standalone workstations for smaller simulations. The simulator currently models instrumented smart vehicles with in-vehicle navigation units capable of optimal route planning and Traffic Management Centers (TMC). The TMC has probe vehicle tracking capabilities (display position and attributes of instrumented vehicles), and can provide two-way interaction with traffic to provide advisories and link times. Both the in-vehicle navigation module and the TMC feature detailed graphicalmore » user interfaces to support human-factors studies. Realistic modeling of variations of the posted driving speed are based on human factors studies that take into consideration weather, road conditions, driver personality and behavior, and vehicle type. The prototype has been developed on a distributed system of networked UNIX computers but is designed to run on parallel computers, such as ANL`s IBM SP-2, for large-scale problems. A novel feature of the approach is that vehicles are represented by autonomous computer processes which exchange messages with other processes. The vehicles have a behavior model which governs route selection and driving behavior, and can react to external traffic events much like real vehicles. With this approach, the simulation is scaleable to take advantage of emerging massively parallel processor (MPP) systems.« less

Parametric sensitivity analysis of leachate transport simulations at landfills.

PubMed

Bou-Zeid, E; El-Fadel, M

2004-01-01

This paper presents a case study in simulating leachate generation and transport at a 2000 ton/day landfill facility and assesses leachate migration away from the landfill in order to control associated environmental impacts, particularly on groundwater wells down gradient of the site. The site offers unique characteristics in that it is a former quarry converted to a landfill and is planned to have refuse depths that could reach 100 m, making it one of the deepest in the world. Leachate quantity and potential percolation into the subsurface are estimated using the Hydrologic Evaluation of Landfill Performance (HELP) model. A three-dimensional subsurface model (PORFLOW) was adopted to simulate ground water flow and contaminant transport away from the site. A comprehensive sensitivity analysis to leachate transport control parameters was also conducted. Sensitivity analysis suggests that changes in partition coefficient, source strength, aquifer hydraulic conductivity, and dispersivity have the most significant impact on model output indicating that these parameters should be carefully selected when similar modeling studies are performed. Copyright 2004 Elsevier Ltd.

GYROKINETIC PARTICLE SIMULATION OF TURBULENT TRANSPORT IN BURNING PLASMAS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Horton, Claude Wendell

2014-06-10

The SciDAC project at the IFS advanced the state of high performance computing for turbulent structures and turbulent transport. The team project with Prof Zhihong Lin [PI] at Univ California Irvine produced new understanding of the turbulent electron transport. The simulations were performed at the Texas Advanced Computer Center TACC and the NERSC facility by Wendell Horton, Lee Leonard and the IFS Graduate Students working in that group. The research included a Validation of the electron turbulent transport code using the data from a steady state university experiment at the University of Columbia in which detailed probe measurements of themore » turbulence in steady state were used for wide range of temperature gradients to compare with the simulation data. These results were published in a joint paper with Texas graduate student Dr. Xiangrong Fu using the work in his PhD dissertation. X.R. Fu, W. Horton, Y. Xiao, Z. Lin, A.K. Sen and V. Sokolov, “Validation of electron Temperature gradient turbulence in the Columbia Linear Machine, Phys. Plasmas 19, 032303 (2012).« less

Diagnostic x-ray dosimetry using Monte Carlo simulation.

PubMed

Ioppolo, J L; Price, R I; Tuchyna, T; Buckley, C E

2002-05-21

An Electron Gamma Shower version 4 (EGS4) based user code was developed to simulate the absorbed dose in humans during routine diagnostic radiological procedures. Measurements of absorbed dose using thermoluminescent dosimeters (TLDs) were compared directly with EGS4 simulations of absorbed dose in homogeneous, heterogeneous and anthropomorphic phantoms. Realistic voxel-based models characterizing the geometry of the phantoms were used as input to the EGS4 code. The voxel geometry of the anthropomorphic Rando phantom was derived from a CT scan of Rando. The 100 kVp diagnostic energy x-ray spectra of the apparatus used to irradiate the phantoms were measured, and provided as input to the EGS4 code. The TLDs were placed at evenly spaced points symmetrically about the central beam axis, which was perpendicular to the cathode-anode x-ray axis at a number of depths. The TLD measurements in the homogeneous and heterogenous phantoms were on average within 7% of the values calculated by EGS4. Estimates of effective dose with errors less than 10% required fewer numbers of photon histories (1 x 10(7)) than required for the calculation of dose profiles (1 x 10(9)). The EGS4 code was able to satisfactorily predict and thereby provide an instrument for reducing patient and staff effective dose imparted during radiological investigations.

Diagnostic x-ray dosimetry using Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Ioppolo, J. L.; Price, R. I.; Tuchyna, T.; Buckley, C. E.

2002-05-01

An Electron Gamma Shower version 4 (EGS4) based user code was developed to simulate the absorbed dose in humans during routine diagnostic radiological procedures. Measurements of absorbed dose using thermoluminescent dosimeters (TLDs) were compared directly with EGS4 simulations of absorbed dose in homogeneous, heterogeneous and anthropomorphic phantoms. Realistic voxel-based models characterizing the geometry of the phantoms were used as input to the EGS4 code. The voxel geometry of the anthropomorphic Rando phantom was derived from a CT scan of Rando. The 100 kVp diagnostic energy x-ray spectra of the apparatus used to irradiate the phantoms were measured, and provided as input to the EGS4 code. The TLDs were placed at evenly spaced points symmetrically about the central beam axis, which was perpendicular to the cathode-anode x-ray axis at a number of depths. The TLD measurements in the homogeneous and heterogenous phantoms were on average within 7% of the values calculated by EGS4. Estimates of effective dose with errors less than 10% required fewer numbers of photon histories (1 × 107) than required for the calculation of dose profiles (1 × 109). The EGS4 code was able to satisfactorily predict and thereby provide an instrument for reducing patient and staff effective dose imparted during radiological investigations.

Investigations of Turbulent Transport Channels in Gyrokinetic Simulations

NASA Astrophysics Data System (ADS)

Dimits, A. M.; Candy, J.; Guttenfelder, W.; Holland, C.; Howard, N.; Nevins, W. M.; Wang, E.

2014-10-01

Magnetic-field stochasticity arises due to microtearing perturbations, which can be driven linearly or nonlinearly (in cases where they are linearly stable), even at very modest values of the plasma beta. The resulting magnetic-flutter contribution may or may not be a significant component of the overall electron (particle and thermal) transport. Investigations of the effect of ExB flow shear on electron-drift magnetic-flutter diffusion coefficient Dedr (r ,v||) using perturbed magnetic fields from simulations, using the GYRO code, of ITG turbulence show a significant effect for electrons with parallel velocities v|| surprisingly far from the resonant velocity. We further examine changes in the radial dependence of this diffusion coefficient vs. v|| and which resonant magnetic-field perturbations are important to the values and radial structure of Dedr. The resulting electron transport fluxes are compared with the simulation results. Improvements over in treating the ambipolar field in the relationship between the magnetic (or drift) diffusion coefficients and the transport have been made in these comparisons. Prepared for US DOE by LLNL under Contract DE-AC52-07NA27344, by GA under Contract DE-FG03-95ER54309, and by PPPL under Contract DE-AC02-09CH11466.

Physics-based agent to simulant correlations for vapor phase mass transport.

PubMed

Willis, Matthew P; Varady, Mark J; Pearl, Thomas P; Fouse, Janet C; Riley, Patrick C; Mantooth, Brent A; Lalain, Teri A

2013-12-15

Chemical warfare agent simulants are often used as an agent surrogate to perform environmental testing, mitigating exposure hazards. This work specifically addresses the assessment of downwind agent vapor concentration resulting from an evaporating simulant droplet. A previously developed methodology was used to estimate the mass diffusivities of the chemical warfare agent simulants methyl salicylate, 2-chloroethyl ethyl sulfide, di-ethyl malonate, and chloroethyl phenyl sulfide. Along with the diffusivity of the chemical warfare agent bis(2-chloroethyl) sulfide, the simulant diffusivities were used in an advection-diffusion model to predict the vapor concentrations downwind from an evaporating droplet of each chemical at various wind velocities and temperatures. The results demonstrate that the simulant-to-agent concentration ratio and the corresponding vapor pressure ratio are equivalent under certain conditions. Specifically, the relationship is valid within ranges of measurement locations relative to the evaporating droplet and observation times. The valid ranges depend on the relative transport properties of the agent and simulant, and whether vapor transport is diffusion or advection dominant. Published by Elsevier B.V.

Comparison of simulated and measured spectra from an X-ray tube for the energies between 20 and 35 keV

NASA Astrophysics Data System (ADS)

Yücel, M.; Emirhan, E.; Bayrak, A.; Ozben, C. S.; Yücel, E. Barlas

2015-11-01

Design and production of a simple and low cost X-ray imaging system that can be used for light industrial applications was targeted in the Nuclear Physics Laboratory of Istanbul Technical University. In this study, production, transmission and detection of X-rays were simulated for the proposed imaging device. OX/70-P dental tube was used and X-ray spectra simulated by Geant4 were validated by comparison with X-ray spectra measured between 20 and 35 keV. Relative detection efficiency of the detector was also determined to confirm the physics processes used in the simulations. Various time optimization tools were performed to reduce the simulation time.

Intercomparison of 3D pore-scale flow and solute transport simulation methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Xiaofan; Mehmani, Yashar; Perkins, William A.

2016-09-01

Multiple numerical approaches have been developed to simulate porous media fluid flow and solute transport at the pore scale. These include methods that 1) explicitly model the three-dimensional geometry of pore spaces and 2) those that conceptualize the pore space as a topologically consistent set of stylized pore bodies and pore throats. In previous work we validated a model of class 1, based on direct numerical simulation using computational fluid dynamics (CFD) codes, against magnetic resonance velocimetry (MRV) measurements of pore-scale velocities. Here we expand that validation to include additional models of class 1 based on the immersed-boundary method (IMB),more » lattice Boltzmann method (LBM), smoothed particle hydrodynamics (SPH), as well as a model of class 2 (a pore-network model or PNM). The PNM approach used in the current study was recently improved and demonstrated to accurately simulate solute transport in a two-dimensional experiment. While the PNM approach is computationally much less demanding than direct numerical simulation methods, the effect of conceptualizing complex three-dimensional pore geometries on solute transport in the manner of PNMs has not been fully determined. We apply all four approaches (CFD, LBM, SPH and PNM) to simulate pore-scale velocity distributions and nonreactive solute transport, and intercompare the model results with previously reported experimental observations. Experimental observations are limited to measured pore-scale velocities, so solute transport comparisons are made only among the various models. Comparisons are drawn both in terms of macroscopic variables (e.g., permeability, solute breakthrough curves) and microscopic variables (e.g., local velocities and concentrations).« less

Simulations of electron transport and ignition for direct-drive fast-ignition targets

NASA Astrophysics Data System (ADS)

Solodov, A. A.; Anderson, K. S.; Betti, R.; Gotcheva, V.; Myatt, J.; Delettrez, J. A.; Skupsky, S.; Theobald, W.; Stoeckl, C.

2008-11-01

The performance of high-gain, fast-ignition fusion targets is investigated using one-dimensional hydrodynamic simulations of implosion and two-dimensional (2D) hybrid fluid-particle simulations of hot-electron transport, ignition, and burn. The 2D/3D hybrid-particle-in-cell code LSP [D. R. Welch et al., Nucl. Instrum. Methods Phys. Res. A 464, 134 (2001)] and the 2D fluid code DRACO [P. B. Radha et al., Phys. Plasmas 12, 056307 (2005)] are integrated to simulate the hot-electron transport and heating for direct-drive fast-ignition targets. LSP simulates the transport of hot electrons from the place where they are generated to the dense fuel core where their energy is absorbed. DRACO includes the physics required to simulate compression, ignition, and burn of fast-ignition targets. The self-generated resistive magnetic field is found to collimate the hot-electron beam, increase the coupling efficiency of hot electrons with the target, and reduce the minimum energy required for ignition. Resistive filamentation of the hot-electron beam is also observed. The minimum energy required for ignition is found for hot electrons with realistic angular spread and Maxwellian energy-distribution function.

Generation of High Brightness X-rays with the PLEIADES Thomson X-ray Source

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brown, W J; Anderson, S G; Barty, C P J

2003-05-28

The use of short laser pulses to generate high peak intensity, ultra-short x-ray pulses enables exciting new experimental capabilities, such as femtosecond pump-probe experiments used to temporally resolve material structural dynamics on atomic time scales. PLEIADES (Picosecond Laser Electron InterAction for Dynamic Evaluation of Structures) is a next generation Thomson scattering x-ray source being developed at Lawrence Livermore National Laboratory (LLNL). Ultra-fast picosecond x-rays (10-200 keV) are generated by colliding an energetic electron beam (20-100 MeV) with a high intensity, sub-ps, 800 nm laser pulse. The peak brightness of the source is expected to exceed 10{sup 20} photons/s/0.1% bandwidth/mm2/mrad2. Simulationsmore » of the electron beam production, transport, and final focus are presented. Electron beam measurements, including emittance and final focus spot size are also presented and compared to simulation results. Measurements of x-ray production are also reported and compared to theoretical calculations.« less

X-ray transport and radiation response assessment (XTRRA) experiments at the National Ignition Facility

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fournier, K. B., E-mail: fournier2@llnl.gov; Brown, C. G.; Yeoman, M. F.

2016-11-15

Our team has developed an experimental platform to evaluate the x-ray-generated stress and impulse in materials. Experimental activities include x-ray source development, design of the sample mounting hardware and sensors interfaced to the National Ignition Facility’s diagnostics insertion system, and system integration into the facility. This paper focuses on the X-ray Transport and Radiation Response Assessment (XTRRA) test cassettes built for these experiments. The test cassette is designed to position six samples at three predetermined distances from the source, each known to within ±1% accuracy. Built-in calorimeters give in situ measurements of the x-ray environment along the sample lines ofmore » sight. The measured accuracy of sample responses as well as planned modifications to the XTRRA cassette is discussed.« less

X-ray transport and radiation response assessment (XTRRA) experiments at the National Ignition Facility

DOE PAGES

Fournier, K. B.; Brown, Jr., C. G.; Yeoman, M. F.; ...

2016-08-10

Our team has developed an experimental platform to evaluate the x-ray-generated stress and impulse in materials. Experimental activities include x-ray source development, design of the sample mounting hardware and sensors interfaced to the NIF’s diagnostics insertion system, and system integration into the facility. This paper focuses on the X-ray Transport and Radiation Response Assessment (XTRRA) test cassettes built for these experiments. The test cassette is designed to position six samples at three predetermined distances from the source, each known to within ±1% accuracy. Built in calorimeters give in situ measurements of the x-ray environment along the sample lines of sight.more » We discuss the measured accuracy of sample responses, as well as planned modifications to the XTRRA cassette.« less

Bio-Inspired Multi-Functional Drug Transport Design Concept and Simulations †

PubMed Central

Pidaparti, Ramana M.; Cartin, Charles; Su, Guoguang

2017-01-01

In this study, we developed a microdevice concept for drug/fluidic transport taking an inspiration from supramolecular motor found in biological cells. Specifically, idealized multi-functional design geometry (nozzle/diffuser/nozzle) was developed for (i) fluidic/particle transport; (ii) particle separation; and (iii) droplet generation. Several design simulations were conducted to demonstrate the working principles of the multi-functional device. The design simulations illustrate that the proposed design concept is feasible for multi-functionality. However, further experimentation and optimization studies are needed to fully evaluate the multifunctional device concept for multiple applications. PMID:28952516

New Approaches to Quantifying Transport Model Error in Atmospheric CO2 Simulations

NASA Technical Reports Server (NTRS)

Ott, L.; Pawson, S.; Zhu, Z.; Nielsen, J. E.; Collatz, G. J.; Gregg, W. W.

2012-01-01

In recent years, much progress has been made in observing CO2 distributions from space. However, the use of these observations to infer source/sink distributions in inversion studies continues to be complicated by difficulty in quantifying atmospheric transport model errors. We will present results from several different experiments designed to quantify different aspects of transport error using the Goddard Earth Observing System, Version 5 (GEOS-5) Atmospheric General Circulation Model (AGCM). In the first set of experiments, an ensemble of simulations is constructed using perturbations to parameters in the model s moist physics and turbulence parameterizations that control sub-grid scale transport of trace gases. Analysis of the ensemble spread and scales of temporal and spatial variability among the simulations allows insight into how parameterized, small-scale transport processes influence simulated CO2 distributions. In the second set of experiments, atmospheric tracers representing model error are constructed using observation minus analysis statistics from NASA's Modern-Era Retrospective Analysis for Research and Applications (MERRA). The goal of these simulations is to understand how errors in large scale dynamics are distributed, and how they propagate in space and time, affecting trace gas distributions. These simulations will also be compared to results from NASA's Carbon Monitoring System Flux Pilot Project that quantified the impact of uncertainty in satellite constrained CO2 flux estimates on atmospheric mixing ratios to assess the major factors governing uncertainty in global and regional trace gas distributions.

Time-resolved X-ray Absorption Spectroscopy for Electron Transport Study in Warm Dense Gold

NASA Astrophysics Data System (ADS)

Lee, Jong-Won; Bae, Leejin; Engelhorn, Kyle; Heimann, Philip; Ping, Yuan; Barbrel, Ben; Fernandez, Amalia; Beckwith, Martha Anne; Cho, Byoung-Ick; GIST Team; IBS Team; LBNL Collaboration; SLAC Collaboration; LLNL Collaboration

2015-11-01

The warm dense Matter represents states of which the temperature is comparable to Fermi energy and ions are strongly coupled. One of the experimental techniques to create such state in the laboratory condition is the isochoric heating of thin metal foil with femtosecond laser pulses. This concept largely relies on the ballistic transport of electrons near the Fermi-level, which were mainly studied for the metals in ambient conditions. However, they were barely investigated in warm dense conditions. We present a time-resolved x-ray absorption spectroscopy measured for the Au/Cu dual layered sample. The front Au layer was isochorically heated with a femtosecond laser pulse, and the x-ray absorption changes around L-edge of Cu, which was attached on the backside of Au, was measured with a picosecond resolution. Time delays between the heating of the `front surface' of Au layer and the alternation of x-ray spectrum of Cu attached on the `rear surface' of Au indicate the energetic electron transport mechanism through Au in the warm dense conditions. IBS (IBS-R012-D1) and the NRF (No. 2013R1A1A1007084) of Korea.

Simulation and optimization of the SIRIUS IPE soft x-ray beamline

NASA Astrophysics Data System (ADS)

Meyer, Bernd C.; Rocha, Tulio C. R.; Luiz, Sergio A. L.; C. Pinto, Artur; Westfahl, Harry

2017-08-01

The soft X-ray beamline IPE is one of the first phase SIRIUS beamlines at the LNLS, Brazil. Divided into two branches, IPE is designed to perform ambient pressure X-ray photo-electron spectroscopy (AP-XPS) and high resolution resonant inelastic X-ray scattering (RIXS) for samples in operando/environmental conditions inside cells and liquid jets. The aim is to maximize the photon flux in the energy range 200-1400 eV generated by an elliptically polarizing undulator source (EPU) and focus it to a 1 μm vertical spot size at the RIXS station and 10 μm at the AP-XPS station. In order to achieve the required resolving power (40.000 at 930 eV) for RIXS both the dispersion properties of the plane grating monochromator (PGM) and the thermal deformation of the optical elements need special attention. The grating parameters were optimized with the REFLEC code to maximize the efficiency at the required resolution. Thermal deformation of the PGM plane mirror limits the possible range of cff parameters depending of the photon energy used. Hence, resolution of the PGM and thermal deformation effects define the boundary conditions of the optical concept and the simulations of the IPE beamline. We compare simulations performed by geometrical ray-tracing (SHADOW) and wave front propagation (SRW) and show that wave front diffraction effects (apertures, optical surface error profiles) has a small effect on the beam spot size and shape.

Multiscale optical simulation settings: challenging applications handled with an iterative ray-tracing FDTD interface method.

PubMed

Leiner, Claude; Nemitz, Wolfgang; Schweitzer, Susanne; Kuna, Ladislav; Wenzl, Franz P; Hartmann, Paul; Satzinger, Valentin; Sommer, Christian

2016-03-20

We show that with an appropriate combination of two optical simulation techniques-classical ray-tracing and the finite difference time domain method-an optical device containing multiple diffractive and refractive optical elements can be accurately simulated in an iterative simulation approach. We compare the simulation results with experimental measurements of the device to discuss the applicability and accuracy of our iterative simulation procedure.

A transport model for computer simulation of wildfires

DOE Office of Scientific and Technical Information (OSTI.GOV)

Linn, R.

1997-12-31

Realistic self-determining simulation of wildfires is a difficult task because of a large variety of important length scales (including scales on the size of twigs or grass and the size of large trees), imperfect data, complex fluid mechanics and heat transfer, and very complicated chemical reactions. The author uses a transport approach to produce a model that exhibits a self-determining propagation rate. The transport approach allows him to represent a large number of environments such as those with nonhomogeneous vegetation and terrain. He accounts for the microscopic details of a fire with macroscopic resolution by dividing quantities into mean andmore » fluctuating parts similar to what is done in traditional turbulence modeling. These divided quantities include fuel, wind, gas concentrations, and temperature. Reaction rates are limited by the mixing process and not the chemical kinetics. The author has developed a model that includes the transport of multiple gas species, such as oxygen and volatile hydrocarbons, and tracks the depletion of various fuels and other stationary solids and liquids. From this model he develops a simplified local burning model with which he performs a number of simulations that demonstrate that he is able to capture the important physics with the transport approach. With this simplified model he is able to pick up the essence of wildfire propagation, including such features as acceleration when transitioning to upsloping terrain, deceleration of fire fronts when they reach downslopes, and crowning in the presence of high winds.« less

A comprehensive simulation framework for imaging single particles and biomolecules at the European X-ray Free-Electron Laser

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yoon, Chun Hong; Yurkov, Mikhail V.; Schneidmiller, Evgeny A.

The advent of newer, brighter, and more coherent X-ray sources, such as X-ray Free-Electron Lasers (XFELs), represents a tremendous growth in the potential to apply coherent X-rays to determine the structure of materials from the micron-scale down to the Angstrom-scale. There is a significant need for a multi-physics simulation framework to perform source-to-detector simulations for a single particle imaging experiment, including (i) the multidimensional simulation of the X-ray source; (ii) simulation of the wave-optics propagation of the coherent XFEL beams; (iii) atomistic modelling of photon-material interactions; (iv) simulation of the time-dependent diffraction process, including incoherent scattering; (v) assembling noisy andmore » incomplete diffraction intensities into a three-dimensional data set using the Expansion-Maximisation-Compression (EMC) algorithm and (vi) phase retrieval to obtain structural information. Furthermore, we demonstrate the framework by simulating a single-particle experiment for a nitrogenase iron protein using parameters of the SPB/SFX instrument of the European XFEL. This exercise demonstrably yields interpretable consequences for structure determination that are crucial yet currently unavailable for experiment design.« less

A comprehensive simulation framework for imaging single particles and biomolecules at the European X-ray Free-Electron Laser

DOE PAGES

Yoon, Chun Hong; Yurkov, Mikhail V.; Schneidmiller, Evgeny A.; ...

2016-04-25

The advent of newer, brighter, and more coherent X-ray sources, such as X-ray Free-Electron Lasers (XFELs), represents a tremendous growth in the potential to apply coherent X-rays to determine the structure of materials from the micron-scale down to the Angstrom-scale. There is a significant need for a multi-physics simulation framework to perform source-to-detector simulations for a single particle imaging experiment, including (i) the multidimensional simulation of the X-ray source; (ii) simulation of the wave-optics propagation of the coherent XFEL beams; (iii) atomistic modelling of photon-material interactions; (iv) simulation of the time-dependent diffraction process, including incoherent scattering; (v) assembling noisy andmore » incomplete diffraction intensities into a three-dimensional data set using the Expansion-Maximisation-Compression (EMC) algorithm and (vi) phase retrieval to obtain structural information. Furthermore, we demonstrate the framework by simulating a single-particle experiment for a nitrogenase iron protein using parameters of the SPB/SFX instrument of the European XFEL. This exercise demonstrably yields interpretable consequences for structure determination that are crucial yet currently unavailable for experiment design.« less

Study on photon transport problem based on the platform of molecular optical simulation environment.

PubMed

Peng, Kuan; Gao, Xinbo; Liang, Jimin; Qu, Xiaochao; Ren, Nunu; Chen, Xueli; Ma, Bin; Tian, Jie

2010-01-01

As an important molecular imaging modality, optical imaging has attracted increasing attention in the recent years. Since the physical experiment is usually complicated and expensive, research methods based on simulation platforms have obtained extensive attention. We developed a simulation platform named Molecular Optical Simulation Environment (MOSE) to simulate photon transport in both biological tissues and free space for optical imaging based on noncontact measurement. In this platform, Monte Carlo (MC) method and the hybrid radiosity-radiance theorem are used to simulate photon transport in biological tissues and free space, respectively, so both contact and noncontact measurement modes of optical imaging can be simulated properly. In addition, a parallelization strategy for MC method is employed to improve the computational efficiency. In this paper, we study the photon transport problems in both biological tissues and free space using MOSE. The results are compared with Tracepro, simplified spherical harmonics method (SP(n)), and physical measurement to verify the performance of our study method on both accuracy and efficiency.

Alamethicin in lipid bilayers: combined use of X-ray scattering and MD simulations.

PubMed

Pan, Jianjun; Tieleman, D Peter; Nagle, John F; Kucerka, Norbert; Tristram-Nagle, Stephanie

2009-06-01

We study fully hydrated bilayers of two di-monounsaturated phospholipids diC18:1PC (DOPC) and diC22:1PC with varying amounts of alamethicin (Alm). We combine the use of X-ray diffuse scattering and molecular dynamics simulations to determine the orientation of alamethicin in model lipids. Comparison of the experimental and simulated form factors shows that Alm helices are inserted transmembrane at high humidity and high concentrations, in agreement with earlier results. The X-ray scattering data and the MD simulations agree that membrane thickness changes very little up to 1/10 Alm/DOPC. In contrast, the X-ray data indicate that the thicker diC22:1PC membrane thins with added Alm, a total decrease in thickness of 4 A at 1/10 Alm/diC22:1PC. The different effect of Alm on the thickness changes of the two bilayers is consistent with Alm having a hydrophobic thickness close to the hydrophobic thickness of 27 A for DOPC; Alm is then mismatched with the 7 A thicker diC22:1PC bilayer. The X-ray data indicate that Alm decreases the bending modulus (K(C)) by a factor of approximately 2 in DOPC and a factor of approximately 10 in diC22:1PC membranes (P/L approximately 1/10). The van der Waals and fluctuational interactions between bilayers are also evaluated through determination of the anisotropic B compressibility modulus.

Multiscale Simulations of Reactive Transport

NASA Astrophysics Data System (ADS)

Tartakovsky, D. M.; Bakarji, J.

2014-12-01

Discrete, particle-based simulations offer distinct advantages when modeling solute transport and chemical reactions. For example, Brownian motion is often used to model diffusion in complex pore networks, and Gillespie-type algorithms allow one to handle multicomponent chemical reactions with uncertain reaction pathways. Yet such models can be computationally more intensive than their continuum-scale counterparts, e.g., advection-dispersion-reaction equations. Combining the discrete and continuum models has a potential to resolve the quantity of interest with a required degree of physicochemical granularity at acceptable computational cost. We present computational examples of such "hybrid models" and discuss the challenges associated with coupling these two levels of description.

Realistic wave-optics simulation of X-ray phase-contrast imaging at a human scale

NASA Astrophysics Data System (ADS)

Sung, Yongjin; Segars, W. Paul; Pan, Adam; Ando, Masami; Sheppard, Colin J. R.; Gupta, Rajiv

2015-07-01

X-ray phase-contrast imaging (XPCI) can dramatically improve soft tissue contrast in X-ray medical imaging. Despite worldwide efforts to develop novel XPCI systems, a numerical framework to rigorously predict the performance of a clinical XPCI system at a human scale is not yet available. We have developed such a tool by combining a numerical anthropomorphic phantom defined with non-uniform rational B-splines (NURBS) and a wave optics-based simulator that can accurately capture the phase-contrast signal from a human-scaled numerical phantom. Using a synchrotron-based, high-performance XPCI system, we provide qualitative comparison between simulated and experimental images. Our tool can be used to simulate the performance of XPCI on various disease entities and compare proposed XPCI systems in an unbiased manner.

Monte Carlo ray-tracing simulations of luminescent solar concentrators for building integrated photovoltaics

NASA Astrophysics Data System (ADS)

Leow, Shin Woei; Corrado, Carley; Osborn, Melissa; Carter, Sue A.

2013-09-01

Luminescent solar concentrators (LSCs) have the ability to receive light from a wide range of angles, concentrating the captured light onto small photo active areas. This enables greater incorporation of LSCs into building designs as windows, skylights and wall claddings in addition to rooftop installations of current solar panels. Using relatively cheap luminescent dyes and acrylic waveguides to effect light concentration onto lesser photovoltaic (PV) cells, there is potential for this technology to approach grid price parity. We employ a panel design in which the front facing PV cells collect both direct and concentrated light ensuring a gain factor greater than one. This also allows for flexibility in determining the placement and percentage coverage of PV cells during the design process to balance reabsorption losses against the power output and level of light concentration desired. To aid in design optimization, a Monte-Carlo ray tracing program was developed to study the transport of photons and loss mechanisms in LSC panels. The program imports measured absorption/emission spectra and transmission coefficients as simulation parameters with interactions of photons in the panel determined by comparing calculated probabilities with random number generators. LSC panels with multiple dyes or layers can also be simulated. Analysis of the results reveals optimal panel dimensions and PV cell layouts for maximum power output for a given dye concentration, absorbtion/emission spectrum and quantum efficiency.

Gray: a ray tracing-based Monte Carlo simulator for PET.

PubMed

Freese, David L; Olcott, Peter D; Buss, Samuel R; Levin, Craig S

2018-05-21

Monte Carlo simulation software plays a critical role in PET system design. Performing complex, repeated Monte Carlo simulations can be computationally prohibitive, as even a single simulation can require a large amount of time and a computing cluster to complete. Here we introduce Gray, a Monte Carlo simulation software for PET systems. Gray exploits ray tracing methods used in the computer graphics community to greatly accelerate simulations of PET systems with complex geometries. We demonstrate the implementation of models for positron range, annihilation acolinearity, photoelectric absorption, Compton scatter, and Rayleigh scatter. For validation, we simulate the GATE PET benchmark, and compare energy, distribution of hits, coincidences, and run time. We show a [Formula: see text] speedup using Gray, compared to GATE for the same simulation, while demonstrating nearly identical results. We additionally simulate the Siemens Biograph mCT system with both the NEMA NU-2 scatter phantom and sensitivity phantom. We estimate the total sensitivity within [Formula: see text]% when accounting for differences in peak NECR. We also estimate the peak NECR to be [Formula: see text] kcps, or within [Formula: see text]% of published experimental data. The activity concentration of the peak is also estimated within 1.3%.

Gray: a ray tracing-based Monte Carlo simulator for PET

NASA Astrophysics Data System (ADS)

Freese, David L.; Olcott, Peter D.; Buss, Samuel R.; Levin, Craig S.

2018-05-01

Monte Carlo simulation software plays a critical role in PET system design. Performing complex, repeated Monte Carlo simulations can be computationally prohibitive, as even a single simulation can require a large amount of time and a computing cluster to complete. Here we introduce Gray, a Monte Carlo simulation software for PET systems. Gray exploits ray tracing methods used in the computer graphics community to greatly accelerate simulations of PET systems with complex geometries. We demonstrate the implementation of models for positron range, annihilation acolinearity, photoelectric absorption, Compton scatter, and Rayleigh scatter. For validation, we simulate the GATE PET benchmark, and compare energy, distribution of hits, coincidences, and run time. We show a speedup using Gray, compared to GATE for the same simulation, while demonstrating nearly identical results. We additionally simulate the Siemens Biograph mCT system with both the NEMA NU-2 scatter phantom and sensitivity phantom. We estimate the total sensitivity within % when accounting for differences in peak NECR. We also estimate the peak NECR to be kcps, or within % of published experimental data. The activity concentration of the peak is also estimated within 1.3%.

Ray tracing the Wigner distribution function for optical simulations

NASA Astrophysics Data System (ADS)

Mout, Marco; Wick, Michael; Bociort, Florian; Petschulat, Joerg; Urbach, Paul

2018-01-01

We study a simulation method that uses the Wigner distribution function to incorporate wave optical effects in an established framework based on geometrical optics, i.e., a ray tracing engine. We use the method to calculate point spread functions and show that it is accurate for paraxial systems but produces unphysical results in the presence of aberrations. The cause of these anomalies is explained using an analytical model.

An MCNP-based model of a medical linear accelerator x-ray photon beam.

PubMed

Ajaj, F A; Ghassal, N M

2003-09-01

The major components in the x-ray photon beam path of the treatment head of the VARIAN Clinac 2300 EX medical linear accelerator were modeled and simulated using the Monte Carlo N-Particle radiation transport computer code (MCNP). Simulated components include x-ray target, primary conical collimator, x-ray beam flattening filter and secondary collimators. X-ray photon energy spectra and angular distributions were calculated using the model. The x-ray beam emerging from the secondary collimators were scored by considering the total x-ray spectra from the target as the source of x-rays at the target position. The depth dose distribution and dose profiles at different depths and field sizes have been calculated at a nominal operating potential of 6 MV and found to be within acceptable limits. It is concluded that accurate specification of the component dimensions, composition and nominal accelerating potential gives a good assessment of the x-ray energy spectra.

Systematic design and three-dimensional simulation of X-ray FEL oscillator for Shanghai Coherent Light Facility

NASA Astrophysics Data System (ADS)

Li, Kai; Deng, Haixiao

2018-07-01

The Shanghai Coherent Light Facility (SCLF) is a quasi-continuous wave hard X-ray free electron laser facility, which is currently under construction. Due to the high repetition rate and high-quality electron beams, it is straightforward to consider X-ray free electron laser oscillator (XFELO) operation for the SCLF. In this paper, the main processes for XFELO design, and parameter optimization of the undulator, X-ray cavity, and electron beam are described. A three-dimensional X-ray crystal Bragg diffraction code, named BRIGHT, was introduced for the first time, which can be combined with the GENESIS and OPC codes for the numerical simulations of the XFELO. The performance of the XFELO of the SCLF is investigated and optimized by theoretical analysis and numerical simulation.

Stress in cynomolgus monkeys (Macaca fascicularis) subjected to long-distance transport and simulated transport housing conditions.

PubMed

Fernström, A L; Sutian, W; Royo, F; Westlund, K; Nilsson, T; Carlsson, H-E; Paramastri, Y; Pamungkas, J; Sajuthi, D; Schapiro, S J; Hau, J

2008-11-01

The stress associated with transportation of non-human primates used in scientific research is an important but almost unexplored part of laboratory animal husbandry. The procedures and routines concerning transport are not only important for the animals' physical health but also for their mental health as well. The transport stress in cynomolgus monkeys (Macaca fascicularis) was studied in two experiments. In Experiment 1, 25 adult female cynomolgus monkeys were divided into five groups of five animals each that received different diets during the transport phase of the experiment. All animals were transported in conventional single animal transport cages with no visual or tactile contact with conspecifics. The animals were transported by lorry for 24 h at ambient temperatures ranging between 20 degrees C and 35 degrees C. Urine produced before, during and after transport was collected and analysed for cortisol by enzyme-linked immunosorbent assay (ELISA). All monkeys exhibited a significant increase in cortisol excretion per time unit during the transport and on the first day following transport.Although anecdotal reports concerning diet during transport, including the provision of fruits and/or a tranquiliser, was thought likely to influence stress responses, these were not corrobated by the present study. In Experiment 2, behavioural data were collected from 18 cynomolgus macaques before and after transfer from group cages to either single or pair housing, and also before and after a simulated transport, in which the animals were housed in transport cages. The single housed monkeys were confined to single transport cages and the pair housed monkeys were kept in their pairs in double size cages. Both pair housed and singly housed monkeys showed clear behavioural signs of stress soon after their transfer out of their group cages.However, stress-associated behaviours were more prevalent in singly housed animals than in pair housed animals, and these behaviours

Simulations of groundwater flow, transport, and age in Albuquerque, New Mexico, for a study of transport of anthropogenic and natural contaminants (TANC) to public-supply wells

USGS Publications Warehouse

Heywood, Charles E.

2013-01-01

Vulnerability to contamination from manmade and natural sources can be characterized by the groundwater-age distribution measured in a supply well and the associated implications for the source depths of the withdrawn water. Coupled groundwater flow and transport models were developed to simulate the transport of the geochemical age-tracers carbon-14, tritium, and three chlorofluorocarbon species to public-supply wells in Albuquerque, New Mexico. A separate, regional-scale simulation of transport of carbon-14 that used the flow-field computed by a previously documented regional groundwater flow model was calibrated and used to specify the initial concentrations of carbon-14 in the local-scale transport model. Observations of the concentrations of each of the five chemical species, in addition to water-level observations and measurements of intra-borehole flow within a public-supply well, were used to calibrate parameters of the local-scale groundwater flow and transport models. The calibrated groundwater flow model simulates the mixing of “young” groundwater, which entered the groundwater flow system after 1950 as recharge at the water table, with older resident groundwater that is more likely associated with natural contaminants. Complexity of the aquifer system in the zone of transport between the water table and public-supply well screens was simulated with a geostatistically generated stratigraphic realization based upon observed lithologic transitions at borehole control locations. Because effective porosity was simulated as spatially uniform, the simulated age tracers are more efficiently transported through the portions of the simulated aquifer with relatively higher simulated hydraulic conductivity. Non-pumping groundwater wells with long screens that connect aquifer intervals having different hydraulic heads can provide alternate pathways for contaminant transport that are faster than the advective transport through the aquifer material. Simulation of

The NorM MATE Transporter from N. gonorrhoeae: Insights into Drug and Ion Binding from Atomistic Molecular Dynamics Simulations

PubMed Central

Leung, Yuk Ming; Holdbrook, Daniel A.; Piggot, Thomas J.; Khalid, Syma

2014-01-01

The multidrug and toxic compound extrusion transporters extrude a wide variety of substrates out of both mammalian and bacterial cells via the electrochemical gradient of protons and cations across the membrane. The substrates transported by these proteins include toxic metabolites and antimicrobial drugs. These proteins contribute to multidrug resistance in both mammalian and bacterial cells and are therefore extremely important from a biomedical perspective. Although specific residues of the protein are known to be responsible for the extrusion of solutes, mechanistic details and indeed structures of all the conformational states remain elusive. Here, we report the first, to our knowledge, simulation study of the recently resolved x-ray structure of the multidrug and toxic compound extrusion transporter, NorM from Neisseria gonorrhoeae (NorM_NG). Multiple, atomistic simulations of the unbound and bound forms of NorM in a phospholipid lipid bilayer allow us to identify the nature of the drug-protein/ion-protein interactions, and secondly determine how these interactions contribute to the conformational rearrangements of the protein. In particular, we identify the molecular rearrangements that occur to enable the Na+ ion to enter the cation-binding cavity even in the presence of a bound drug molecule. These include side chain flipping of a key residue, GLU-261 from pointing toward the central cavity to pointing toward the cation binding side when bound to a Na+ ion. Our simulations also provide support for cation binding in the drug-bound and apo states of NorM_NG. PMID:25028887

GPU accelerated simulations of 3D deterministic particle transport using discrete ordinates method

NASA Astrophysics Data System (ADS)

Gong, Chunye; Liu, Jie; Chi, Lihua; Huang, Haowei; Fang, Jingyue; Gong, Zhenghu

2011-07-01

Graphics Processing Unit (GPU), originally developed for real-time, high-definition 3D graphics in computer games, now provides great faculty in solving scientific applications. The basis of particle transport simulation is the time-dependent, multi-group, inhomogeneous Boltzmann transport equation. The numerical solution to the Boltzmann equation involves the discrete ordinates ( Sn) method and the procedure of source iteration. In this paper, we present a GPU accelerated simulation of one energy group time-independent deterministic discrete ordinates particle transport in 3D Cartesian geometry (Sweep3D). The performance of the GPU simulations are reported with the simulations of vacuum boundary condition. The discussion of the relative advantages and disadvantages of the GPU implementation, the simulation on multi GPUs, the programming effort and code portability are also reported. The results show that the overall performance speedup of one NVIDIA Tesla M2050 GPU ranges from 2.56 compared with one Intel Xeon X5670 chip to 8.14 compared with one Intel Core Q6600 chip for no flux fixup. The simulation with flux fixup on one M2050 is 1.23 times faster than on one X5670.

Simulations of in situ x-ray diffraction from uniaxially compressed highly textured polycrystalline targets

DOE Office of Scientific and Technical Information (OSTI.GOV)

McGonegle, David, E-mail: d.mcgonegle1@physics.ox.ac.uk; Wark, Justin S.; Higginbotham, Andrew

2015-08-14

A growing number of shock compression experiments, especially those involving laser compression, are taking advantage of in situ x-ray diffraction as a tool to interrogate structure and microstructure evolution. Although these experiments are becoming increasingly sophisticated, there has been little work on exploiting the textured nature of polycrystalline targets to gain information on sample response. Here, we describe how to generate simulated x-ray diffraction patterns from materials with an arbitrary texture function subject to a general deformation gradient. We will present simulations of Debye-Scherrer x-ray diffraction from highly textured polycrystalline targets that have been subjected to uniaxial compression, as maymore » occur under planar shock conditions. In particular, we study samples with a fibre texture, and find that the azimuthal dependence of the diffraction patterns contains information that, in principle, affords discrimination between a number of similar shock-deformation mechanisms. For certain cases, we compare our method with results obtained by taking the Fourier transform of the atomic positions calculated by classical molecular dynamics simulations. Illustrative results are presented for the shock-induced α–ϵ phase transition in iron, the α–ω transition in titanium and deformation due to twinning in tantalum that is initially preferentially textured along [001] and [011]. The simulations are relevant to experiments that can now be performed using 4th generation light sources, where single-shot x-ray diffraction patterns from crystals compressed via laser-ablation can be obtained on timescales shorter than a phonon period.« less

Simulations of in situ x-ray diffraction from uniaxially compressed highly textured polycrystalline targets

DOE PAGES

McGonegle, David; Milathianaki, Despina; Remington, Bruce A.; ...

2015-08-11

A growing number of shock compression experiments, especially those involving laser compression, are taking advantage of in situ x-ray diffraction as a tool to interrogate structure and microstructure evolution. Although these experiments are becoming increasingly sophisticated, there has been little work on exploiting the textured nature of polycrystalline targets to gain information on sample response. Here, we describe how to generate simulated x-ray diffraction patterns from materials with an arbitrary texture function subject to a general deformation gradient. We will present simulations of Debye-Scherrer x-ray diffraction from highly textured polycrystalline targets that have been subjected to uniaxial compression, as maymore » occur under planar shock conditions. In particular, we study samples with a fibre texture, and find that the azimuthal dependence of the diffraction patterns contains information that, in principle, affords discrimination between a number of similar shock-deformation mechanisms. For certain cases, we compare our method with results obtained by taking the Fourier transform of the atomic positions calculated by classical molecular dynamics simulations. Illustrative results are presented for the shock-induced α–ϵ phase transition in iron, the α–ω transition in titanium and deformation due to twinning in tantalum that is initially preferentially textured along [001] and [011]. In conclusion, the simulations are relevant to experiments that can now be performed using 4th generation light sources, where single-shot x-ray diffraction patterns from crystals compressed via laser-ablation can be obtained on timescales shorter than a phonon period.« less

Intercomparison of 3D pore-scale flow and solute transport simulation methods

DOE PAGES

Mehmani, Yashar; Schoenherr, Martin; Pasquali, Andrea; ...

2015-09-28

Multiple numerical approaches have been developed to simulate porous media fluid flow and solute transport at the pore scale. These include 1) methods that explicitly model the three-dimensional geometry of pore spaces and 2) methods that conceptualize the pore space as a topologically consistent set of stylized pore bodies and pore throats. In previous work we validated a model of the first type, using computational fluid dynamics (CFD) codes employing a standard finite volume method (FVM), against magnetic resonance velocimetry (MRV) measurements of pore-scale velocities. Here we expand that validation to include additional models of the first type based onmore » the lattice Boltzmann method (LBM) and smoothed particle hydrodynamics (SPH), as well as a model of the second type, a pore-network model (PNM). The PNM approach used in the current study was recently improved and demonstrated to accurately simulate solute transport in a two-dimensional experiment. While the PNM approach is computationally much less demanding than direct numerical simulation methods, the effect of conceptualizing complex three-dimensional pore geometries on solute transport in the manner of PNMs has not been fully determined. We apply all four approaches (FVM-based CFD, LBM, SPH and PNM) to simulate pore-scale velocity distributions and (for capable codes) nonreactive solute transport, and intercompare the model results. Comparisons are drawn both in terms of macroscopic variables (e.g., permeability, solute breakthrough curves) and microscopic variables (e.g., local velocities and concentrations). Generally good agreement was achieved among the various approaches, but some differences were observed depending on the model context. The intercomparison work was challenging because of variable capabilities of the codes, and inspired some code enhancements to allow consistent comparison of flow and transport simulations across the full suite of methods. This paper provides support for

Intercomparison of 3D pore-scale flow and solute transport simulation methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Xiaofan; Mehmani, Yashar; Perkins, William A.

2016-09-01

Multiple numerical approaches have been developed to simulate porous media fluid flow and solute transport at the pore scale. These include 1) methods that explicitly model the three-dimensional geometry of pore spaces and 2) methods that conceptualize the pore space as a topologically consistent set of stylized pore bodies and pore throats. In previous work we validated a model of the first type, using computational fluid dynamics (CFD) codes employing a standard finite volume method (FVM), against magnetic resonance velocimetry (MRV) measurements of pore-scale velocities. Here we expand that validation to include additional models of the first type based onmore » the lattice Boltzmann method (LBM) and smoothed particle hydrodynamics (SPH), as well as a model of the second type, a pore-network model (PNM). The PNM approach used in the current study was recently improved and demonstrated to accurately simulate solute transport in a two-dimensional experiment. While the PNM approach is computationally much less demanding than direct numerical simulation methods, the effect of conceptualizing complex three-dimensional pore geometries on solute transport in the manner of PNMs has not been fully determined. We apply all four approaches (FVM-based CFD, LBM, SPH and PNM) to simulate pore-scale velocity distributions and (for capable codes) nonreactive solute transport, and intercompare the model results. Comparisons are drawn both in terms of macroscopic variables (e.g., permeability, solute breakthrough curves) and microscopic variables (e.g., local velocities and concentrations). Generally good agreement was achieved among the various approaches, but some differences were observed depending on the model context. The intercomparison work was challenging because of variable capabilities of the codes, and inspired some code enhancements to allow consistent comparison of flow and transport simulations across the full suite of methods. This study provides support for

COUPLED FREE AND DISSOLVED PHASE TRANSPORT: NEW SIMULATION CAPABILITIES AND PARAMETER INVERSION

EPA Science Inventory

The vadose zone free-phase simulation capabilities of the US EPA Hydrocarbon Spill Screening Model (HSSM)have been linked with the 3-D multi-species dissolved-phase contaminant transport simulator MT3DMS.

Galactic Cosmic Ray Simulation at the NASA Space Radiation Laboratory

NASA Technical Reports Server (NTRS)

Norbury, John W.; Slaba, Tony C.; Rusek, Adam

2015-01-01

The external Galactic Cosmic Ray (GCR) spectrum is significantly modified when it passes through spacecraft shielding and astronauts. One approach for simulating the GCR space radiation environment at ground based accelerators would use the modified spectrum, rather than the external spectrum, in the accelerator beams impinging on biological targets. Two recent workshops have studied such GCR simulation. The first workshop was held at NASA Langley Research Center in October 2014. The second workshop was held at the NASA Space Radiation Investigators' workshop in Galveston, Texas in January 2015. The results of these workshops will be discussed in this paper.

Monte Carlo simulations of the gamma-ray exposure rates of common rocks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haber, Daniel A.; Malchow, Russell L.; Burnley, Pamela C.

Monte Carlo simulations have been performed to model the gamma ray emission and attenuation properties of common rocks. In geologic materials, 40K, 238U, and 232Th are responsible for most gamma ray production. If the concentration of these radioelements and attenuation factors such as degree of water saturation are known, an estimate of the gamma-ray exposure rate can be made. The results show that there are no significant differences in gamma-ray screening between major rock types. If the total number of radionuclide atoms are held constant then the major controlling factor is density of the rock. Finally, the thickness of regolithmore » or soil overlying rock can be estimated by modeling the exposure rate if the radionuclide contents of both materials are known.« less

Monte Carlo simulations of the gamma-ray exposure rates of common rocks

DOE PAGES

Haber, Daniel A.; Malchow, Russell L.; Burnley, Pamela C.

2016-11-24

Monte Carlo simulations have been performed to model the gamma ray emission and attenuation properties of common rocks. In geologic materials, 40K, 238U, and 232Th are responsible for most gamma ray production. If the concentration of these radioelements and attenuation factors such as degree of water saturation are known, an estimate of the gamma-ray exposure rate can be made. The results show that there are no significant differences in gamma-ray screening between major rock types. If the total number of radionuclide atoms are held constant then the major controlling factor is density of the rock. Lastly, the thickness of regolithmore » or soil overlying rock can be estimated by modeling the exposure rate if the radionuclide contents of both materials are known.« less

Monte Carlo simulations of the gamma-ray exposure rates of common rocks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haber, Daniel A.; Malchow, Russell L.; Burnley, Pamela C.

Monte Carlo simulations have been performed to model the gamma ray emission and attenuation properties of common rocks. In geologic materials, 40K, 238U, and 232Th are responsible for most gamma ray production. If the concentration of these radioelements and attenuation factors such as degree of water saturation are known, an estimate of the gamma-ray exposure rate can be made. The results show that there are no significant differences in gamma-ray screening between major rock types. If the total number of radionuclide atoms are held constant then the major controlling factor is density of the rock. Lastly, the thickness of regolithmore » or soil overlying rock can be estimated by modeling the exposure rate if the radionuclide contents of both materials are known.« less

Multi-Band Light Curves from Two-Dimensional Simulations of Gamma-Ray Burst Afterglows

NASA Astrophysics Data System (ADS)

MacFadyen, Andrew

2010-01-01

The dynamics of gamma-ray burst outflows is inherently multi-dimensional. 1.) We present high resolution two-dimensional relativistic hydrodynamics simulations of GRBs in the afterglow phase using adaptive mesh refinement (AMR). Using standard synchrotron radiation models, we compute multi-band light curves, from the radio to X-ray, directly from the 2D hydrodynamics simulation data. We will present on-axis light curves for both constant density and wind media. We will also present off-axis light curves relevant for searches for orphan afterglows. We find that jet breaks are smoothed due to both off-axis viewing and wind media effects. 2.) Non-thermal radiation mechanisms in GRB afterglows require substantial magnetic field strengths. In turbulence driven by shear instabilities in relativistic magnetized gas, we demonstrate that magnetic field is naturally amplified to half a percent of the total energy (epsilon B = 0.005). We will show high resolution three dimensional relativistic MHD simulations of this process as well as particle in cell (PIC) simulations of mildly relativistic collisionless shocks.

Thermal transport across metal silicide-silicon interfaces: First-principles calculations and Green's function transport simulations

NASA Astrophysics Data System (ADS)

Sadasivam, Sridhar; Ye, Ning; Feser, Joseph P.; Charles, James; Miao, Kai; Kubis, Tillmann; Fisher, Timothy S.

2017-02-01

Heat transfer across metal-semiconductor interfaces involves multiple fundamental transport mechanisms such as elastic and inelastic phonon scattering, and electron-phonon coupling within the metal and across the interface. The relative contributions of these different transport mechanisms to the interface conductance remains unclear in the current literature. In this work, we use a combination of first-principles calculations under the density functional theory framework and heat transport simulations using the atomistic Green's function (AGF) method to quantitatively predict the contribution of the different scattering mechanisms to the thermal interface conductance of epitaxial CoSi2-Si interfaces. An important development in the present work is the direct computation of interfacial bonding from density functional perturbation theory (DFPT) and hence the avoidance of commonly used "mixing rules" to obtain the cross-interface force constants from bulk material force constants. Another important algorithmic development is the integration of the recursive Green's function (RGF) method with Büttiker probe scattering that enables computationally efficient simulations of inelastic phonon scattering and its contribution to the thermal interface conductance. First-principles calculations of electron-phonon coupling reveal that cross-interface energy transfer between metal electrons and atomic vibrations in the semiconductor is mediated by delocalized acoustic phonon modes that extend on both sides of the interface, and phonon modes that are localized inside the semiconductor region of the interface exhibit negligible coupling with electrons in the metal. We also provide a direct comparison between simulation predictions and experimental measurements of thermal interface conductance of epitaxial CoSi2-Si interfaces using the time-domain thermoreflectance technique. Importantly, the experimental results, performed across a wide temperature range, only agree well with

Combining Monte Carlo methods with coherent wave optics for the simulation of phase-sensitive X-ray imaging

PubMed Central

Peter, Silvia; Modregger, Peter; Fix, Michael K.; Volken, Werner; Frei, Daniel; Manser, Peter; Stampanoni, Marco

2014-01-01

Phase-sensitive X-ray imaging shows a high sensitivity towards electron density variations, making it well suited for imaging of soft tissue matter. However, there are still open questions about the details of the image formation process. Here, a framework for numerical simulations of phase-sensitive X-ray imaging is presented, which takes both particle- and wave-like properties of X-rays into consideration. A split approach is presented where we combine a Monte Carlo method (MC) based sample part with a wave optics simulation based propagation part, leading to a framework that takes both particle- and wave-like properties into account. The framework can be adapted to different phase-sensitive imaging methods and has been validated through comparisons with experiments for grating interferometry and propagation-based imaging. The validation of the framework shows that the combination of wave optics and MC has been successfully implemented and yields good agreement between measurements and simulations. This demonstrates that the physical processes relevant for developing a deeper understanding of scattering in the context of phase-sensitive imaging are modelled in a sufficiently accurate manner. The framework can be used for the simulation of phase-sensitive X-ray imaging, for instance for the simulation of grating interferometry or propagation-based imaging. PMID:24763652

Progress on 3-D ICF simulations and Ray-Traced Power Deposition Method

NASA Astrophysics Data System (ADS)

Schmitt, Andrew J.; Fyfe, David E.

2016-10-01

We have performed 3D simulations of Omega-scale and NIF-scale spherical direct-drive targets with the massively parallel fastrad3d code. Of particular interest is the robustness of the targets to the low mode perturbations impressed on the target by the laser system and how it compares to the influence of the perturbations produced by laser imprinting. As part of this simulation capability, we have upgraded our smoothed 3D raytrace package to run in spherical geometry. This package, which connects rays to form bundles and performs power deposition calculations on the bundles, can decrease laser absorption noise while using fewer rays and less message passing. This model produces both the imprint and the low-mode asymmetry drive that we are interested in here. We show recent simulation results of directly-driven targets using conventional ignition drive, and report on the influences of the two sources - low mode asymmetry and laser imprint - as the pellet conditions (e.g. adiabat) are varied. Work supported by DoE/NNSA.

Rare Event Simulation in Radiation Transport

NASA Astrophysics Data System (ADS)

Kollman, Craig

This dissertation studies methods for estimating extremely small probabilities by Monte Carlo simulation. Problems in radiation transport typically involve estimating very rare events or the expected value of a random variable which is with overwhelming probability equal to zero. These problems often have high dimensional state spaces and irregular geometries so that analytic solutions are not possible. Monte Carlo simulation must be used to estimate the radiation dosage being transported to a particular location. If the area is well shielded the probability of any one particular particle getting through is very small. Because of the large number of particles involved, even a tiny fraction penetrating the shield may represent an unacceptable level of radiation. It therefore becomes critical to be able to accurately estimate this extremely small probability. Importance sampling is a well known technique for improving the efficiency of rare event calculations. Here, a new set of probabilities is used in the simulation runs. The results are multiplied by the likelihood ratio between the true and simulated probabilities so as to keep our estimator unbiased. The variance of the resulting estimator is very sensitive to which new set of transition probabilities are chosen. It is shown that a zero variance estimator does exist, but that its computation requires exact knowledge of the solution. A simple random walk with an associated killing model for the scatter of neutrons is introduced. Large deviation results for optimal importance sampling in random walks are extended to the case where killing is present. An adaptive "learning" algorithm for implementing importance sampling is given for more general Markov chain models of neutron scatter. For finite state spaces this algorithm is shown to give, with probability one, a sequence of estimates converging exponentially fast to the true solution. In the final chapter, an attempt to generalize this algorithm to a continuous

Realistic wave-optics simulation of X-ray phase-contrast imaging at a human scale

PubMed Central

Sung, Yongjin; Segars, W. Paul; Pan, Adam; Ando, Masami; Sheppard, Colin J. R.; Gupta, Rajiv

2015-01-01

X-ray phase-contrast imaging (XPCI) can dramatically improve soft tissue contrast in X-ray medical imaging. Despite worldwide efforts to develop novel XPCI systems, a numerical framework to rigorously predict the performance of a clinical XPCI system at a human scale is not yet available. We have developed such a tool by combining a numerical anthropomorphic phantom defined with non-uniform rational B-splines (NURBS) and a wave optics-based simulator that can accurately capture the phase-contrast signal from a human-scaled numerical phantom. Using a synchrotron-based, high-performance XPCI system, we provide qualitative comparison between simulated and experimental images. Our tool can be used to simulate the performance of XPCI on various disease entities and compare proposed XPCI systems in an unbiased manner. PMID:26169570

Combining experiment and optical simulation in coherent X-ray nanobeam characterization of Si/SiGe semiconductor heterostructures

DOE PAGES

Tilka, J. A.; Park, J.; Ahn, Y.; ...

2016-07-06

Here, the highly coherent and tightly focused x-ray beams produced by hard x-ray light sources enable the nanoscale characterization of the structure of electronic materials but are accompanied by significant challenges in the interpretation of diffraction and scattering patterns. X-ray nanobeams exhibit optical coherence combined with a large angular divergence introduced by the x-ray focusing optics. The scattering of nanofocused x-ray beams from intricate semiconductor heterostructures produces a complex distribution of scattered intensity. We report here an extension of coherent xray optical simulations of convergent x-ray beam diffraction patterns to arbitrary x-ray incident angles to allow the nanobeam diffraction patternsmore » of complex heterostructures to be simulated faithfully. These methods are used to extract the misorientation of lattice planes and the strain of individual layers from synchrotron x-ray nanobeam diffraction patterns of Si/SiGe heterostructures relevant to applications in quantum electronic devices. The systematic interpretation of nanobeam diffraction patterns from semiconductor heterostructures presents a new opportunity in characterizing and ultimately designing electronic materials.« less

Numerical simulation of turbulence and sediment transport of medium sand

NASA Astrophysics Data System (ADS)

Schmeeckle, M. W.

2012-12-01

Eleven numerical simulations, ranging from no transport to bedload to vigorous suspension transport, are presented of a combined large eddy simulation (LES) and distinct element model (DEM) of an initially flat bed of medium sand. The fluid and particles are fully coupled in momentum. The friction coefficient, defined here as the squared ratio of the friction velocity to the depth-averaged velocity, is in good agreement with well-known rough bed relations at no transport and increases with the intensity of bedload transport. The friction coefficient nearly doubles in value at the onset of sediment suspension owing to a rapid increase of the depth over which particles and fluid exchange momentum. The friction coefficient decreases with increasing suspension intensity because of increasingly stable stratification. Fluid Reynolds stress and time-averaged velocity profiles in the bedload regime agree well with previous experiments and simulations. Also consistent with previous studies of suspended sediment, there is an increase in slope of the lower portion of the velocity profile that has been modeled in the past using stably stratified eddy viscosity closures or an adjusted von Karman constant. Stokes numbers in the simulations, using an estimated lagrangian integral time scale, are less than unity. As such, particles faithfully follow the fluid, except for particle settling and grain-grain interactions near the bed. Fluid-particle velocity correlation coefficients approach one in portions of the flow where volumetric sediment concentrations are below about ten percent. Bedload entrainment is critically connected to vertical velocity fluctuations. When a fluid packet approaches the bed from the interior of the flow (i.e. a sweep), fluid is forced into the bed, and at the edges of the sweep, fluid is forced out of the bed. Much of the particle entrainment occurs at these sweep edges. Fluid velocity statistics following the particles reveal that moving bedload

Interstellar gamma-ray emission from cosmic rays in star-forming galaxies

NASA Astrophysics Data System (ADS)

Martin, P.

2014-04-01

Context. Fermi/LAT observations of star-forming galaxies in the ~0.1-100 GeV range have made possible a first population study. Evidence was found for a correlation between γ-ray luminosity and tracers of the star formation activity. Studying galactic cosmic rays (CRs) in various global conditions can yield information about their origin and transport in the interstellar medium (ISM). Aims: This work addresses the question of the scaling laws that can be expected for the interstellar γ-ray emission as a function of global galactic properties, with the goal of establishing whether the current experimental data in the GeV range can be constraining. Methods: I developed a 2D model for the non-thermal emissions from steady-state CR populations interacting with the ISM in star-forming galaxies. Most CR-related parameters were taken from Milky Way studies, and a large number of galaxies were then simulated with sizes from 4 to 40 kpc, several gas distributions, and star formation rates (SFRs) covering six orders of magnitude. Results: The evolution of the γ-ray luminosity over the 100 keV-100 TeV range is presented, with emphasis on the contribution of the different emission processes and particle populations, and on the transition between transport regimes. The model can reproduce the normalisation and trend inferred from the Fermi/LAT population study over most of the SFR range. This is obtained with a plain diffusion scheme, a single diffusion coefficient, and the assumption that CRs experience large-scale volume-averaged interstellar conditions. There is, however, no universal relation between high-energy γ-ray luminosity and star formation activity, as illustrated by the scatter introduced by different galactic global properties and the downturn in γ-ray emission at the low end. Conclusions: The current Fermi/LAT population study does not call for major modifications of the transport scheme for CRs in the Milky Way when extrapolated to other systems, probably

Simulation and optimization of a soft gamma-ray concentrator using thin film multilayer structures

NASA Astrophysics Data System (ADS)

Shirazi, Farzane; Bloser, Peter F.; Krzanowski, James E.; Legere, Jason S.; McConnell, Mark L.

2017-08-01

We are reporting the investigation result of using multilayer thin film structures for channeling and concentrating soft gamma rays with energies greater than 100 keV, beyond the reach of current grazing-incidence hard X-ray mirrors. This will enable future telescopes for higher energies with same mission parameters already proven by NuSTAR. A suitable arrangement of bent multilayer structures of alternating low and high-density materials will channel soft gamma-ray photons via total external reflection and then concentrate the incident radiation to a point. We present the latest results of producing Ir/Si and W/Si multilayers with the required thicknesses and smoothness by using magnetron sputter technique. In addition to experimental works, we have been working on gamma-ray tracking model of the concentrator by IDL, making use of optical properties calculated by the IMD software. This modeling allows us to calculate efficiency and track photon for different energy bands and materials and compare them with experimental result. Also, we describe combine concentrator modeling result and detector simulation by MEGAlib to archive a complete package of gamma-ray telescope simulation. This technology offers the potential for soft gamma-ray telescopes with focal lengths of less than 10 m, removing the need for formation flying spacecraft and providing greatly increased sensitivity for modest cost and complexity and opening the field up to balloon-borne instruments.

Study on Photon Transport Problem Based on the Platform of Molecular Optical Simulation Environment

PubMed Central

Peng, Kuan; Gao, Xinbo; Liang, Jimin; Qu, Xiaochao; Ren, Nunu; Chen, Xueli; Ma, Bin; Tian, Jie

2010-01-01

As an important molecular imaging modality, optical imaging has attracted increasing attention in the recent years. Since the physical experiment is usually complicated and expensive, research methods based on simulation platforms have obtained extensive attention. We developed a simulation platform named Molecular Optical Simulation Environment (MOSE) to simulate photon transport in both biological tissues and free space for optical imaging based on noncontact measurement. In this platform, Monte Carlo (MC) method and the hybrid radiosity-radiance theorem are used to simulate photon transport in biological tissues and free space, respectively, so both contact and noncontact measurement modes of optical imaging can be simulated properly. In addition, a parallelization strategy for MC method is employed to improve the computational efficiency. In this paper, we study the photon transport problems in both biological tissues and free space using MOSE. The results are compared with Tracepro, simplified spherical harmonics method (S P n), and physical measurement to verify the performance of our study method on both accuracy and efficiency. PMID:20445737

PhreeqcRM: A reaction module for transport simulators based on the geochemical model PHREEQC

USGS Publications Warehouse

Parkhurst, David L.; Wissmeier, Laurin

2015-01-01

PhreeqcRM is a geochemical reaction module designed specifically to perform equilibrium and kinetic reaction calculations for reactive transport simulators that use an operator-splitting approach. The basic function of the reaction module is to take component concentrations from the model cells of the transport simulator, run geochemical reactions, and return updated component concentrations to the transport simulator. If multicomponent diffusion is modeled (e.g., Nernst–Planck equation), then aqueous species concentrations can be used instead of component concentrations. The reaction capabilities are a complete implementation of the reaction capabilities of PHREEQC. In each cell, the reaction module maintains the composition of all of the reactants, which may include minerals, exchangers, surface complexers, gas phases, solid solutions, and user-defined kinetic reactants.PhreeqcRM assigns initial and boundary conditions for model cells based on standard PHREEQC input definitions (files or strings) of chemical compositions of solutions and reactants. Additional PhreeqcRM capabilities include methods to eliminate reaction calculations for inactive parts of a model domain, transfer concentrations and other model properties, and retrieve selected results. The module demonstrates good scalability for parallel processing by using multiprocessing with MPI (message passing interface) on distributed memory systems, and limited scalability using multithreading with OpenMP on shared memory systems. PhreeqcRM is written in C++, but interfaces allow methods to be called from C or Fortran. By using the PhreeqcRM reaction module, an existing multicomponent transport simulator can be extended to simulate a wide range of geochemical reactions. Results of the implementation of PhreeqcRM as the reaction engine for transport simulators PHAST and FEFLOW are shown by using an analytical solution and the reactive transport benchmark of MoMaS.

TEMPS (Transportable EMP Simulator) Final Report. Volume 2. Appendixes

DTIC Science & Technology

1973-08-01

Electromagnetic pulse Pulser system Pulse generator 20. ASSTRPACT (Confirma an reverse ese It neessary and IdmntSIy by Weeck pmbff) This report...Research Institute I>, PIFR-372 A.1 INTRODUCTION The Transportable Electromagnetic Pulse Simulator (TEMPS) was built for the Harry Diamond Laboratories

Simulation of bipolar charge transport in nanocomposite polymer films

NASA Astrophysics Data System (ADS)

Lean, Meng H.; Chu, Wei-Ping L.

2015-03-01

This paper describes 3D particle-in-cell simulation of bipolar charge injection and transport through nanocomposite film comprised of ferroelectric ceramic nanofillers in an amorphous polymer matrix. The classical electrical double layer (EDL) model for a monopolar core is extended (eEDL) to represent the nanofiller by replacing it with a dipolar core. Charge injection at the electrodes assumes metal-polymer Schottky emission at low to moderate fields and Fowler-Nordheim tunneling at high fields. Injected particles migrate via field-dependent Poole-Frenkel mobility and recombine with Monte Carlo selection. The simulation algorithm uses a boundary integral equation method for solution of the Poisson equation coupled with a second-order predictor-corrector scheme for robust time integration of the equations of motion. The stability criterion of the explicit algorithm conforms to the Courant-Friedrichs-Levy limit assuring robust and rapid convergence. The model is capable of simulating a wide dynamic range spanning leakage current to pre-breakdown. Simulation results for BaTiO3 nanofiller in amorphous polymer matrix indicate that charge transport behavior depend on nanoparticle polarization with anti-parallel orientation showing the highest leakage conduction and therefore lowest level of charge trapping in the interaction zone. Charge recombination is also highest, at the cost of reduced leakage conduction charge. The eEDL model predicts the meandering pathways of charge particle trajectories.

Modeling and experimental investigation of x-ray spectra from a liquid metal anode x-ray tube

NASA Astrophysics Data System (ADS)

David, Bernd R.; Thran, Axel; Eckart, Rainer

2004-11-01

This paper presents simulated and measured spectra of a novel type of x-ray tube. The bremsstrahlung generating principle of this tube is based on the interaction of high energetic electrons with a turbulently flowing liquid metal separated from the vacuum by a thin window. We simulated the interaction of 50-150 keV electrons with liquid metal targets composed of the elements Ga, In, Sn, as well as the solid elements C, W and Re used for the electron windows. We obtained x-ray spectra and energy loss curves for various liquid metal/window combinations and thicknesses of the window material. In terms of optimum heat transport a thin diamond window in combination with the liquid metal GaInSn is the best suited system. If photon flux is the optimization criteria, thin tungsten/rhenium windows cooled by GaInSn should be preferred.

Simulation and Optimization of Soft Gamma-Ray Concentrator Using Thin Film Multilayer Structures

NASA Astrophysics Data System (ADS)

Shirazi, Farzane; Bloser, Peter F.; Aliotta, Paul H.; Echt, Olof; Krzanowski, James E.; Legere, Jason S.; McConnell, Mark L.; Tsavalas, John G.; Wong, Emily N.; Kippen, R. Marc

2016-04-01

We are reporting the investigation result of channeling and concentrating soft gamma rays (above 100 keV) using multilayer thin films of alternating low and high-density materials. This will enable future telescopes for higher energies with same mission parameters already proven by NuSTAR. Base on initial investigations at Los Alamos National Laboratory (LANL) we are investigating of producing these multilayers with the required thicknesses and smoothness using magnetron sputter (MS) and pulsed laser deposition (PLD) techniques. A suitable arrangement of bent multilayer structures of alternating low and high-density materials will channel soft gamma-ray photons via total external reflection and then concentrate the incident radiation to a point. The high-energy astrophysics group at the UNH Space Science Center (SSC) is testing these structures for their ability to channel 122 keV gamma rays in the laboratory. In addition of experimental works, we have been working on gamma ray tracing model of the concentrator by IDL, making use of optical properties calculated by the IMD software. This modeling allows us to calculate efficiency and focal length for different energy bands and materials and compare them with experimental result. Also we will combine concentrator modeling result and detector simulation by Geant4 to archive a complete package of gamma-ray telescope simulation. If successful, this technology will offer the potential for soft gamma-ray telescopes with focal lengths of less than 10 m, removing the need for formation flying spacecraft and opening the field up to balloon-borne instruments and providing greatly increased sensitivity for modest cost and complexity.

Modelling of an Orthovoltage X-ray Therapy Unit with the EGSnrc Monte Carlo Package

NASA Astrophysics Data System (ADS)

Knöös, Tommy; Rosenschöld, Per Munck Af; Wieslander, Elinore

2007-06-01

Simulations with the EGSnrc code package of an orthovoltage x-ray machine have been performed. The BEAMnrc code was used to transport electrons, produce x-ray photons in the target and transport of these through the treatment machine down to the exit level of the applicator. Further transport in water or CT based phantoms was facilitated by the DOSXYZnrc code. Phase space files were scored with BEAMnrc and analysed regarding the energy spectra at the end of the applicator. Tuning of simulation parameters was based on the half-value layer quantity for the beams in either Al or Cu. Calculated depth dose and profile curves have been compared against measurements and show good agreement except at shallow depths. The MC model tested in this study can be used for various dosimetric studies as well as generating a library of typical treatment cases that can serve as both educational material and guidance in the clinical practice

Environmental radionuclides as contaminants of HPGe gamma-ray spectrometers: Monte Carlo simulations for Modane underground laboratory.

PubMed

Breier, R; Brudanin, V B; Loaiza, P; Piquemal, F; Povinec, P P; Rukhadze, E; Rukhadze, N; Štekl, I

2018-05-21

The main limitation in the high-sensitive HPGe gamma-ray spectrometry has been the detector background, even for detectors placed deep underground. Environmental radionuclides such as 40 K and decay products in the 238 U and 232 Th chains have been identified as the most important radioactive contaminants of construction parts of HPGe gamma-ray spectrometers. Monte Carlo simulations have shown that the massive inner and outer lead shields have been the main contributors to the HPGe-detector background, followed by aluminum cryostat, copper cold finger, detector holder and the lead ring with FET. The Monte Carlo simulated cosmic-ray background gamma-ray spectrum has been by about three orders of magnitude lower than the experimental spectrum measured in the Modane underground laboratory (4800 m w.e.), underlying the importance of using radiopure materials for the construction of ultra-low-level HPGe gamma-ray spectrometers. Copyright © 2018 Elsevier Ltd. All rights reserved.

Diffusive, Supersonic X-ray Transport in Foam Cylinders

NASA Astrophysics Data System (ADS)

Back, Christina A.

1999-11-01

Diffusive supersonic radiation transport, where the ratio of the diffusive radiation front velocity to the material sound speed >2 has been studied in a series of laboratory experiments on low density foams. This work is of interest for radiation transport in basic science and astrophysics. The Marshak radiation wave transport is studied for both low and high Z foam materials and for different length foams in a novel hohlraum geometry that allows direct comparisons with 2-dimensional analytic models and code simulations. The radiation wave is created by a ~ 80 eV near blackbody 12-ns long drive or a ~ 200 eV 1.2-2.4 ns long drive generated by laser-heated Au hohlraums. The targets are SiO2 and Ta2O5 aerogel foams of varying lengths which span 10 to 50 mg/cc densities. Clean signatures of radiation breakout were observed by radially resolved face-on transmission measurements of the radiation flux at a photon energy of 250 eV or 550 eV. The high quality data provides new detailed information on the importance of both the fill and wall material opacities and heat capacities in determining the radiation front speed and curvature. note number.

Using full-mission simulation for human factors research in air transport operations

NASA Technical Reports Server (NTRS)

Orlady, Harry W.; Hennessy, Robert W.; Obermayer, Richard; Vreuls, Donald; Murphy, Miles R.

1988-01-01

This study examined state-of-the-art mission oriented simulation and its use in human factors research. Guidelines were developed for doing full-mission human factors research on crew member behavior during simulated air transport operations. The existing literature was reviewed. However, interviews with experienced investigators provided the most useful information. The fundamental scientific and practical issues of behavioral research in a simulation environment are discussed. Guidelines are presented for planning, scenario development, and the execution of behavioral research using full-mission simulation in the context of air transport flight operations . Research is recommended to enhance the validity and productivity of full-mission research by: (1) validating the need for high-fidelity simulation of all major elements in the operational environment, (2) improving methods for conducting full-mission research, and (3) examining part-task research on specific problems through the use of vehicles which contain higher levels of abstraction (and lower fidelity) of the operational environment.

Numerical simulation and comparison of nonlinear self-focusing based on iteration and ray tracing

NASA Astrophysics Data System (ADS)

Li, Xiaotong; Chen, Hao; Wang, Weiwei; Ruan, Wangchao; Zhang, Luwei; Cen, Zhaofeng

2017-05-01

Self-focusing is observed in nonlinear materials owing to the interaction between laser and matter when laser beam propagates. Some of numerical simulation strategies such as the beam propagation method (BPM) based on nonlinear Schrödinger equation and ray tracing method based on Fermat's principle have applied to simulate the self-focusing process. In this paper we present an iteration nonlinear ray tracing method in that the nonlinear material is also cut into massive slices just like the existing approaches, but instead of paraxial approximation and split-step Fourier transform, a large quantity of sampled real rays are traced step by step through the system with changing refractive index and laser intensity by iteration. In this process a smooth treatment is employed to generate a laser density distribution at each slice to decrease the error caused by the under-sampling. The characteristics of this method is that the nonlinear refractive indices of the points on current slice are calculated by iteration so as to solve the problem of unknown parameters in the material caused by the causal relationship between laser intensity and nonlinear refractive index. Compared with the beam propagation method, this algorithm is more suitable for engineering application with lower time complexity, and has the calculation capacity for numerical simulation of self-focusing process in the systems including both of linear and nonlinear optical media. If the sampled rays are traced with their complex amplitudes and light paths or phases, it will be possible to simulate the superposition effects of different beam. At the end of the paper, the advantages and disadvantages of this algorithm are discussed.

Seismic wavefield propagation in 2D anisotropic media: Ray theory versus wave-equation simulation

NASA Astrophysics Data System (ADS)

Bai, Chao-ying; Hu, Guang-yi; Zhang, Yan-teng; Li, Zhong-sheng

2014-05-01

Despite the ray theory that is based on the high frequency assumption of the elastic wave-equation, the ray theory and the wave-equation simulation methods should be mutually proof of each other and hence jointly developed, but in fact parallel independent progressively. For this reason, in this paper we try an alternative way to mutually verify and test the computational accuracy and the solution correctness of both the ray theory (the multistage irregular shortest-path method) and the wave-equation simulation method (both the staggered finite difference method and the pseudo-spectral method) in anisotropic VTI and TTI media. Through the analysis and comparison of wavefield snapshot, common source gather profile and synthetic seismogram, it is able not only to verify the accuracy and correctness of each of the methods at least for kinematic features, but also to thoroughly understand the kinematic and dynamic features of the wave propagation in anisotropic media. The results show that both the staggered finite difference method and the pseudo-spectral method are able to yield the same results even for complex anisotropic media (such as a fault model); the multistage irregular shortest-path method is capable of predicting similar kinematic features as the wave-equation simulation method does, which can be used to mutually test each other for methodology accuracy and solution correctness. In addition, with the aid of the ray tracing results, it is easy to identify the multi-phases (or multiples) in the wavefield snapshot, common source point gather seismic section and synthetic seismogram predicted by the wave-equation simulation method, which is a key issue for later seismic application.

Simulations of Turbulent Momentum and Scalar Transport in Confined Swirling Coaxial Jets

NASA Technical Reports Server (NTRS)

Shih, Tsan-Hsing; Liu, Nan-Suey

2014-01-01

This paper presents the numerical simulations of confined three dimensional coaxial water jets. The objectives are to validate the newly proposed nonlinear turbulence models of momentum and scalar transport, and to evaluate the newly introduced scalar APDF and DWFDF equation along with its Eulerian implementation in the National Combustion Code (NCC). Simulations conducted include the steady RANS, the unsteady RANS (URANS), and the time-filtered Navier-Stokes (TFNS) with and without invoking the APDF or DWFDF equation. When the APDF or DWFDF equation is invoked, the simulations are of a hybrid nature, i.e., the transport equations of energy and species are replaced by the APDF or DWFDF equation. Results of simulations are compared with the available experimental data. Some positive impacts of the nonlinear turbulence models and the Eulerian scalar APDF and DWFDF approach are observed.

Development and validation of real-time simulation of X-ray imaging with respiratory motion.

PubMed

Vidal, Franck P; Villard, Pierre-Frédéric

2016-04-01

We present a framework that combines evolutionary optimisation, soft tissue modelling and ray tracing on GPU to simultaneously compute the respiratory motion and X-ray imaging in real-time. Our aim is to provide validated building blocks with high fidelity to closely match both the human physiology and the physics of X-rays. A CPU-based set of algorithms is presented to model organ behaviours during respiration. Soft tissue deformation is computed with an extension of the Chain Mail method. Rigid elements move according to kinematic laws. A GPU-based surface rendering method is proposed to compute the X-ray image using the Beer-Lambert law. It is provided as an open-source library. A quantitative validation study is provided to objectively assess the accuracy of both components: (i) the respiration against anatomical data, and (ii) the X-ray against the Beer-Lambert law and the results of Monte Carlo simulations. Our implementation can be used in various applications, such as interactive medical virtual environment to train percutaneous transhepatic cholangiography in interventional radiology, 2D/3D registration, computation of digitally reconstructed radiograph, simulation of 4D sinograms to test tomography reconstruction tools. Copyright © 2015 Elsevier Ltd. All rights reserved.

Quantitative Assessment of Transportation Network Vulnerability with Dynamic Traffic Simulation Methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shekar, Venkateswaran; Fiondella, Lance; Chatterjee, Samrat

Transportation networks are critical to the social and economic function of nations. Given the continuing increase in the populations of cities throughout the world, the criticality of transportation infrastructure is expected to increase. Thus, it is ever more important to mitigate congestion as well as to assess the impact disruptions would have on individuals who depend on transportation for their work and livelihood. Moreover, several government organizations are responsible for ensuring transportation networks are available despite the constant threat of natural disasters and terrorist activities. Most of the previous transportation network vulnerability research has been performed in the context ofmore » static traffic models, many of which are formulated as traditional optimization problems. However, transportation networks are dynamic because their usage varies over time. Thus, more appropriate methods to characterize the vulnerability of transportation networks should consider their dynamic properties. This paper presents a quantitative approach to assess the vulnerability of a transportation network to disruptions with methods from traffic simulation. Our approach can prioritize the critical links over time and is generalizable to the case where both link and node disruptions are of concern. We illustrate the approach through a series of examples. Our results demonstrate that the approach provides quantitative insight into the time varying criticality of links. Such an approach could be used as the objective function of less traditional optimization methods that use simulation and other techniques to evaluate the relative utility of a particular network defense to reduce vulnerability and increase resilience.« less

Global diffusion of cosmic rays in random magnetic fields

NASA Astrophysics Data System (ADS)

Snodin, A. P.; Shukurov, A.; Sarson, G. R.; Bushby, P. J.; Rodrigues, L. F. S.

2016-04-01

The propagation of charged particles, including cosmic rays, in a partially ordered magnetic field is characterized by a diffusion tensor whose components depend on the particle's Larmor radius RL and the degree of order in the magnetic field. Most studies of the particle diffusion presuppose a scale separation between the mean and random magnetic fields (e.g. there being a pronounced minimum in the magnetic power spectrum at intermediate scales). Scale separation is often a good approximation in laboratory plasmas, but not in most astrophysical environments such as the interstellar medium (ISM). Modern simulations of the ISM have numerical resolution of the order of 1 pc, so the Larmor radius of the cosmic rays that dominate in energy density is at least 106 times smaller than the resolved scales. Large-scale simulations of cosmic ray propagation in the ISM thus rely on oversimplified forms of the diffusion tensor. We take the first steps towards a more realistic description of cosmic ray diffusion for such simulations, obtaining direct estimates of the diffusion tensor from test particle simulations in random magnetic fields (with the Larmor radius scale being fully resolved), for a range of particle energies corresponding to 10-2 ≲ RL/lc ≲ 103, where lc is the magnetic correlation length. We obtain explicit expressions for the cosmic ray diffusion tensor for RL/lc ≪ 1, that might be used in a sub-grid model of cosmic ray diffusion. The diffusion coefficients obtained are closely connected with existing transport theories that include the random walk of magnetic lines.

Effect of anomalous transport on kinetic simulations of the H-mode pedestal

NASA Astrophysics Data System (ADS)

Bateman, G.; Pankin, A. Y.; Kritz, A. H.; Rafiq, T.; Park, G. Y.; Ku, S.; Chang, C. S.

2009-11-01

The MMM08 and MMM95 Multi-Mode transport models [1,2], are used to investigate the effect of anomalous transport in XGC0 gyrokinetic simulations [3] of tokamak H-mode pedestal growth. Transport models are implemented in XGC0 using the Framework for Modernization and Componentization of Fusion Modules (FMCFM). Anomalous transport is driven by steep temperature and density gradients and is suppressed by high values of flow shear in the pedestal. The radial electric field, used to calculate the flow shear rate, is computed self-consistently in the XGC0 code with the anomalous transport, Lagrangian charged particle dynamics and neutral particle effects. XGC0 simulations are used to provide insight into how thermal and particle transport, together with the sources of heat and charged particles, determine the shape and growth rate of the temperature and density profiles. [1] F.D. Halpern et al., Phys. Plasmas 15 (2008) 065033; J.Weiland et al., Nucl. Fusion 49 (2009) 965933; A.Kritz et al., EPS (2009) [2] G. Bateman, et al, Phys. Plasmas 5 (1998) 1793 [3] C.S. Chang, S. Ku, H. Weitzner, Phys. Plasmas 11 (2004) 2649

Measurement and simulation for a complementary imaging with the neutron and X-ray beams

NASA Astrophysics Data System (ADS)

Hara, Kaoru Y.; Sato, Hirotaka; Kamiyama, Takashi; Shinohara, Takenao

2017-09-01

By using a composite source system, we measured radiographs of the thermal neutron and keV X-ray in the 45-MeV electron linear accelerator facility at Hokkaido University. The source system provides the alternative beam of neutron and X-ray by switching the production target onto the electron beam axis. In the measurement to demonstrate a complementary imaging, the detector based on a vacuum-tube type neutron color image intensifier was applied to the both beams for dual-purpose. On the other hand, for reducing background in a neutron transmission spectrum, test measurements using a gadolinium-type neutron grid were performed with a cold neutron source at Hokkaido University. In addition, the simulations of the neutron and X-ray transmissions for various substances were performed using the PHITS code. A data analysis procedure for estimating the substance of sample was investigated through the simulations.

TEMPEST simulations of the neoclassical transport in a single-null tokamak geometry

NASA Astrophysics Data System (ADS)

Xu, X. Q.; Cohen, R. H.; Rognlien, T. D.

2009-05-01

TEMPEST simulations were carried out for plasma transport and flow dynamics in a single-null tokamak geometry. The core radial boundary ion distribution is a fixed Maxwellian FM with N0=N(ψ0) and Ti0=Ti(ψ0)=300eV, and exterior radial boundary ion distribution is Neumann boundary condition with Fi(,,μ)/ψ|ψw=0 during a simulation. Given boundary conditions and initial profiles, the interior plasmas in the simulations should evolve into a neoclassical steady state. A volume source term in the private flux region is included, representing the ionization in the private flux region to achieve the neoclassical steady state. A series of TEMPEST simulations are conducted to investigate the scaling characteristics of the neoclassical transport and flow as a function of ν*i via a density scan. Here ν*i is the effective collision frequency, defined by ν*i=&-3/2circ;νii√2qR0/vTi, νii is the ion-ion collision, and vTi the ion thermal velocity. Simulation results show significant poloidal variation of density and ion temperature profiles due to the endloss machanism at the divertor plates. Each region (Edge, the SOL and private flux) achieves the dynamical steady state at its own time scale due to the different physical processes. The impact of self-consistent electric field on transport and flow will be presented.

Anisotropic imaging performance in indirect x-ray imaging detectors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Badano, Aldo; Kyprianou, Iacovos S.; Sempau, Josep

We report on the variability in imaging system performance due to oblique x-ray incidence, and the associated transport of quanta (both x rays and optical photons) through the phosphor, in columnar indirect digital detectors. The analysis uses MANTIS, a combined x-ray, electron, and optical Monte Carlo transport code freely available. We describe the main features of the simulation method and provide some validation of the phosphor screen models considered in this work. We report x-ray and electron three-dimensional energy deposition distributions and point-response functions (PRFs), including optical spread in columnar phosphor screens of thickness 100 and 500 {mu}m, for 19,more » 39, 59, and 79 keV monoenergetic x-ray beams incident at 0 deg., 10 deg., and 15 deg. . In addition, we present pulse-height spectra for the same phosphor thickness, x-ray energies, and angles of incidence. Our results suggest that the PRF due to the phosphor blur is highly nonsymmetrical, and that the resolution properties of a columnar screen in a tomographic, or tomosynthetic imaging system varies significantly with the angle of x-ray incidence. Moreover, we find that the noise due to the variability in the number of light photons detected per primary x-ray interaction, summarized in the information or Swank factor, is somewhat independent of thickness and incidence angle of the x-ray beam. Our results also suggest that the anisotropy in the PRF is not less in screens with absorptive backings, while the noise introduced by variations in the gain and optical transport is larger. Predictions from MANTIS, after additional validation, can provide the needed understanding of the extent of such variations, and eventually, lead to the incorporation of the changes in imaging performance with incidence angle into the reconstruction algorithms for volumetric x-ray imaging systems.« less

Theory-based transport simulations of TFTR L-mode temperature profiles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bateman, G.

1992-03-01

The temperature profiles from a selection of Tokamak Fusion Test Reactor (TFTR) L-mode discharges (17{ital th} {ital European} {ital Conference} {ital on} {ital Controlled} {ital Fusion} {ital and} {ital Plasma} {ital Heating}, Amsterdam, 1990 (EPS, Petit-Lancy, Switzerland, 1990, p. 114)) are simulated with the 1 (1)/(2) -D baldur transport code (Comput. Phys. Commun. {bold 49}, 275 (1988)) using a combination of theoretically derived transport models, called the Multi-Mode Model (Comments Plasma Phys. Controlled Fusion {bold 11}, 165 (1988)). The present version of the Multi-Mode Model consists of effective thermal diffusivities resulting from trapped electron modes and ion temperature gradient ({eta}{submore » {ital i}}) modes, which dominate in the core of the plasma, together with resistive ballooning modes, which dominate in the periphery. Within the context of this transport model and the TFTR simulations reported here, the scaling of confinement with heating power comes from the temperature dependence of the {eta}{sub {ital i}} and trapped electron modes, while the scaling with current comes mostly from resistive ballooning modes.« less

GRODY - GAMMA RAY OBSERVATORY DYNAMICS SIMULATOR IN ADA

NASA Technical Reports Server (NTRS)

Stark, M.

1994-01-01

Analysts use a dynamics simulator to test the attitude control system algorithms used by a satellite. The simulator must simulate the hardware, dynamics, and environment of the particular spacecraft and provide user services which enable the analyst to conduct experiments. Researchers at Goddard's Flight Dynamics Division developed GRODY alongside GROSS (GSC-13147), a FORTRAN simulator which performs the same functions, in a case study to assess the feasibility and effectiveness of the Ada programming language for flight dynamics software development. They used popular object-oriented design techniques to link the simulator's design with its function. GRODY is designed for analysts familiar with spacecraft attitude analysis. The program supports maneuver planning as well as analytical testing and evaluation of the attitude determination and control system used on board the Gamma Ray Observatory (GRO) satellite. GRODY simulates the GRO on-board computer and Control Processor Electronics. The analyst/user sets up and controls the simulation. GRODY allows the analyst to check and update parameter values and ground commands, obtain simulation status displays, interrupt the simulation, analyze previous runs, and obtain printed output of simulation runs. The video terminal screen display allows visibility of command sequences, full-screen display and modification of parameters using input fields, and verification of all input data. Data input available for modification includes alignment and performance parameters for all attitude hardware, simulation control parameters which determine simulation scheduling and simulator output, initial conditions, and on-board computer commands. GRODY generates eight types of output: simulation results data set, analysis report, parameter report, simulation report, status display, plots, diagnostic output (which helps the user trace any problems that have occurred during a simulation), and a permanent log of all runs and errors. The

Ligand Induced Conformational Changes of the Human Serotonin Transporter Revealed by Molecular Dynamics Simulations

PubMed Central

Grouleff, Julie; Schiøtt, Birgit

2013-01-01

The competitive inhibitor cocaine and the non-competitive inhibitor ibogaine induce different conformational states of the human serotonin transporter. It has been shown from accessibility experiments that cocaine mainly induces an outward-facing conformation, while the non-competitive inhibitor ibogaine, and its active metabolite noribogaine, have been proposed to induce an inward-facing conformation of the human serotonin transporter similar to what has been observed for the endogenous substrate, serotonin. The ligand induced conformational changes within the human serotonin transporter caused by these three different types of ligands, substrate, non-competitive and competitive inhibitors, are studied from multiple atomistic molecular dynamics simulations initiated from a homology model of the human serotonin transporter. The results reveal that diverse conformations of the human serotonin transporter are captured from the molecular dynamics simulations depending on the type of the ligand bound. The inward-facing conformation of the human serotonin transporter is reached with noribogaine bound, and this state resembles a previously identified inward-facing conformation of the human serotonin transporter obtained from molecular dynamics simulation with bound substrate, but also a recently published inward-facing conformation of a bacterial homolog, the leucine transporter from Aquifex Aoelicus. The differences observed in ligand induced behavior are found to originate from different interaction patterns between the ligands and the protein. Such atomic-level understanding of how an inhibitor can dictate the conformational response of a transporter by ligand binding may be of great importance for future drug design. PMID:23776432

Nanoscale radiation transport and clinical beam modeling for gold nanoparticle dose enhanced radiotherapy (GNPT) using X-rays

PubMed Central

Sajo, Erno

2016-01-01

We review radiation transport and clinical beam modelling for gold nanoparticle dose-enhanced radiotherapy using X-rays. We focus on the nanoscale radiation transport and its relation to macroscopic dosimetry for monoenergetic and clinical beams. Among other aspects, we discuss Monte Carlo and deterministic methods and their applications to predicting dose enhancement using various metrics. PMID:26642305

MCViNE- An object oriented Monte Carlo neutron ray tracing simulation package

DOE PAGES

Lin, J. Y. Y.; Smith, Hillary L.; Granroth, Garrett E.; ...

2015-11-28

MCViNE (Monte-Carlo VIrtual Neutron Experiment) is an open-source Monte Carlo (MC) neutron ray-tracing software for performing computer modeling and simulations that mirror real neutron scattering experiments. We exploited the close similarity between how instrument components are designed and operated and how such components can be modeled in software. For example we used object oriented programming concepts for representing neutron scatterers and detector systems, and recursive algorithms for implementing multiple scattering. Combining these features together in MCViNE allows one to handle sophisticated neutron scattering problems in modern instruments, including, for example, neutron detection by complex detector systems, and single and multiplemore » scattering events in a variety of samples and sample environments. In addition, MCViNE can use simulation components from linear-chain-based MC ray tracing packages which facilitates porting instrument models from those codes. Furthermore it allows for components written solely in Python, which expedites prototyping of new components. These developments have enabled detailed simulations of neutron scattering experiments, with non-trivial samples, for time-of-flight inelastic instruments at the Spallation Neutron Source. Examples of such simulations for powder and single-crystal samples with various scattering kernels, including kernels for phonon and magnon scattering, are presented. As a result, with simulations that closely reproduce experimental results, scattering mechanisms can be turned on and off to determine how they contribute to the measured scattering intensities, improving our understanding of the underlying physics.« less

Lagrangian transport simulations of volcanic sulfur dioxide emissions: impact of meteorological data products

NASA Astrophysics Data System (ADS)

Hoffmann, Lars; Rößler, Thomas; Griessbach, Sabine; Heng, Yi; Stein, Olaf

2017-04-01

Sulfur dioxide (SO2) emissions from strong volcanic eruptions are an important natural cause for climate variations. We applied our new Lagrangian transport model Massive-Parallel Trajectory Calculations (MPTRAC) to perform simulations for three case studies of volcanic eruption events. The case studies cover the eruptions of Grímsvötn, Iceland, Puyehue-Cordón Caulle, Chile, and Nabro, Eritrea, in May and June 2011. We used SO2 observations of the Atmospheric Infrared Sounder (AIRS/Aqua) and a backward trajectory approach to initialize the simulations. Besides validation of the new model, the main goal of our study was a comparison of simulations with different meteorological data products. We considered three reanalyses (ERA-Interim, MERRA, and NCAR/NCEP) and the European Centre for Medium-Range Weather Forecasts (ECMWF) operational analysis. Qualitatively, the SO2 distributions from the simulations compare well with the AIRS data, but also with Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) and Michelson Interferometer for Passive Atmospheric Sounding (MIPAS) aerosol observations. Transport deviations and the critical success index (CSI) are analyzed to evaluate the simulations quantitatively. During the first 5 or 10 days after the eruptions we found the best performance for the ECMWF analysis (CSI range of 0.25 - 0.31), followed by ERA-Interim (0.25 - 0.29), MERRA (0.23 - 0.27), and NCAR/NCEP (0.21 - 0.23). High temporal and spatial resolution of the meteorological data does lead to improved performance of Lagrangian transport simulations of volcanic emissions in the upper troposphere and lower stratosphere. Reference: Hoffmann L., Rößler, T., Griessbach, S., Heng, Y., and Stein, O., Lagrangian transport simulations of volcanic sulfur dioxide emissions: impact of meteorological data products, J. Geophys. Res., 121(9), 4651-4673, doi:10.1002/2015JD023749, 2016.

Intercomparison of Multiscale Modeling Approaches in Simulating Subsurface Flow and Transport

NASA Astrophysics Data System (ADS)

Yang, X.; Mehmani, Y.; Barajas-Solano, D. A.; Song, H. S.; Balhoff, M.; Tartakovsky, A. M.; Scheibe, T. D.

2016-12-01

Hybrid multiscale simulations that couple models across scales are critical to advance predictions of the larger system behavior using understanding of fundamental processes. In the current study, three hybrid multiscale methods are intercompared: multiscale loose-coupling method, multiscale finite volume (MsFV) method and multiscale mortar method. The loose-coupling method enables a parallel workflow structure based on the Swift scripting environment that manages the complex process of executing coupled micro- and macro-scale models without being intrusive to the at-scale simulators. The MsFV method applies microscale and macroscale models over overlapping subdomains of the modeling domain and enforces continuity of concentration and transport fluxes between models via restriction and prolongation operators. The mortar method is a non-overlapping domain decomposition approach capable of coupling all permutations of pore- and continuum-scale models with each other. In doing so, Lagrange multipliers are used at interfaces shared between the subdomains so as to establish continuity of species/fluid mass flux. Subdomain computations can be performed either concurrently or non-concurrently depending on the algorithm used. All the above methods have been proven to be accurate and efficient in studying flow and transport in porous media. However, there has not been any field-scale applications and benchmarking among various hybrid multiscale approaches. To address this challenge, we apply all three hybrid multiscale methods to simulate water flow and transport in a conceptualized 2D modeling domain of the hyporheic zone, where strong interactions between groundwater and surface water exist across multiple scales. In all three multiscale methods, fine-scale simulations are applied to a thin layer of riverbed alluvial sediments while the macroscopic simulations are used for the larger subsurface aquifer domain. Different numerical coupling methods are then applied between

Scaling and pedotransfer in numerical simulations of flow and transport in soils

USDA-ARS?s Scientific Manuscript database

Flow and transport parameters of soils in numerical simulations need to be defined at the support scale of computational grid cells. Such support scale can substantially differ from the support scale in laboratory or field measurements of flow and transport parameters. The scale-dependence of flow a...

A hybrid method for X-ray optics simulation: combining geometric ray-tracing and wavefront propagation

DOE PAGES

Shi, Xianbo; Reininger, Ruben; Sanchez del Rio, Manuel; ...

2014-05-15

A new method for beamline simulation combining ray-tracing and wavefront propagation is described. The 'Hybrid Method' computes diffraction effects when the beam is clipped by an aperture or mirror length and can also simulate the effect of figure errors in the optical elements when diffraction is present. The effect of different spatial frequencies of figure errors on the image is compared withSHADOWresults pointing to the limitations of the latter. The code has been benchmarked against the multi-electron version ofSRWin one dimension to show its validity in the case of fully, partially and non-coherent beams. The results demonstrate that the codemore » is considerably faster than the multi-electron version ofSRWand is therefore a useful tool for beamline design and optimization.« less

A Global System for Transportation Simulation and Visualization in Emergency Evacuation Scenarios

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lu, Wei; Liu, Cheng; Thomas, Neil

2015-01-01

Simulation-based studies are frequently used for evacuation planning and decision making processes. Given the transportation systems complexity and data availability, most evacuation simulation models focus on certain geographic areas. With routine improvement of OpenStreetMap road networks and LandScanTM global population distribution data, we present WWEE, a uniform system for world-wide emergency evacuation simulations. WWEE uses unified data structure for simulation inputs. It also integrates a super-node trip distribution model as the default simulation parameter to improve the system computational performance. Two levels of visualization tools are implemented for evacuation performance analysis, including link-based macroscopic visualization and vehicle-based microscopic visualization. Formore » left-hand and right-hand traffic patterns in different countries, the authors propose a mirror technique to experiment with both scenarios without significantly changing traffic simulation models. Ten cities in US, Europe, Middle East, and Asia are modeled for demonstration. With default traffic simulation models for fast and easy-to-use evacuation estimation and visualization, WWEE also retains the capability of interactive operation for users to adopt customized traffic simulation models. For the first time, WWEE provides a unified platform for global evacuation researchers to estimate and visualize their strategies performance of transportation systems under evacuation scenarios.« less

Initial performances of first undulator-based hard x-ray beamlines of NSLS-II compared to simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chubar, Oleg, E-mail: chubar@bnl.gov; Chu, Yong S.; Huang, Xiaojing

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.

Integrating surrogate models into subsurface simulation framework allows computation of complex reactive transport scenarios

NASA Astrophysics Data System (ADS)

De Lucia, Marco; Kempka, Thomas; Jatnieks, Janis; Kühn, Michael

2017-04-01

Reactive transport simulations - where geochemical reactions are coupled with hydrodynamic transport of reactants - are extremely time consuming and suffer from significant numerical issues. Given the high uncertainties inherently associated with the geochemical models, which also constitute the major computational bottleneck, such requirements may seem inappropriate and probably constitute the main limitation for their wide application. A promising way to ease and speed-up such coupled simulations is achievable employing statistical surrogates instead of "full-physics" geochemical models [1]. Data-driven surrogates are reduced models obtained on a set of pre-calculated "full physics" simulations, capturing their principal features while being extremely fast to compute. Model reduction of course comes at price of a precision loss; however, this appears justified in presence of large uncertainties regarding the parametrization of geochemical processes. This contribution illustrates the integration of surrogates into the flexible simulation framework currently being developed by the authors' research group [2]. The high level language of choice for obtaining and dealing with surrogate models is R, which profits from state-of-the-art methods for statistical analysis of large simulations ensembles. A stand-alone advective mass transport module was furthermore developed in order to add such capability to any multiphase finite volume hydrodynamic simulator within the simulation framework. We present 2D and 3D case studies benchmarking the performance of surrogates and "full physics" chemistry in scenarios pertaining the assessment of geological subsurface utilization. [1] Jatnieks, J., De Lucia, M., Dransch, D., Sips, M.: "Data-driven surrogate model approach for improving the performance of reactive transport simulations.", Energy Procedia 97, 2016, p. 447-453. [2] Kempka, T., Nakaten, B., De Lucia, M., Nakaten, N., Otto, C., Pohl, M., Chabab [Tillner], E., Kühn, M

Issues for Simulation of Galactic Cosmic Ray Exposures for Radiobiological Research at Ground-Based Accelerators

PubMed Central

Kim, Myung-Hee Y.; Rusek, Adam; Cucinotta, Francis A.

2015-01-01

For radiobiology research on the health risks of galactic cosmic rays (GCR) ground-based accelerators have been used with mono-energetic beams of single high charge, Z and energy, E (HZE) particles. In this paper, we consider the pros and cons of a GCR reference field at a particle accelerator. At the NASA Space Radiation Laboratory (NSRL), we have proposed a GCR simulator, which implements a new rapid switching mode and higher energy beam extraction to 1.5 GeV/u, in order to integrate multiple ions into a single simulation within hours or longer for chronic exposures. After considering the GCR environment and energy limitations of NSRL, we performed extensive simulation studies using the stochastic transport code, GERMcode (GCR Event Risk Model) to define a GCR reference field using 9 HZE particle beam–energy combinations each with a unique absorber thickness to provide fragmentation and 10 or more energies of proton and 4He beams. The reference field is shown to well represent the charge dependence of GCR dose in several energy bins behind shielding compared to a simulated GCR environment. However, a more significant challenge for space radiobiology research is to consider chronic GCR exposure of up to 3 years in relation to simulations with animal models of human risks. We discuss issues in approaches to map important biological time scales in experimental models using ground-based simulation, with extended exposure of up to a few weeks using chronic or fractionation exposures. A kinetics model of HZE particle hit probabilities suggests that experimental simulations of several weeks will be needed to avoid high fluence rate artifacts, which places limitations on the experiments to be performed. Ultimately risk estimates are limited by theoretical understanding, and focus on improving knowledge of mechanisms and development of experimental models to improve this understanding should remain the highest priority for space radiobiology research. PMID:26090339

Theoretical modeling of a portable x-ray tube based KXRF system to measure lead in bone

PubMed Central

Specht, Aaron J; Weisskopf, Marc G; Nie, Linda Huiling

2017-01-01

Objective K-shell x-ray fluorescence (KXRF) techniques have been used to identify health effects resulting from exposure to metals for decades, but the equipment is bulky and requires significant maintenance and licensing procedures. A portable x-ray fluorescence (XRF) device was developed to overcome these disadvantages, but introduced a measurement dependency on soft tissue thickness. With recent advances to detector technology, an XRF device utilizing the advantages of both systems should be feasible. Approach In this study, we used Monte Carlo simulations to test the feasibility of an XRF device with a high-energy x-ray tube and detector operable at room temperature. Main Results We first validated the use of Monte Carlo N-particle transport code (MCNP) for x-ray tube simulations, and found good agreement between experimental and simulated results. Then, we optimized x-ray tube settings and found the detection limit of the high-energy x-ray tube based XRF device for bone lead measurements to be 6.91 μg g−1 bone mineral using a cadmium zinc telluride detector. Significance In conclusion, this study validated the use of MCNP in simulations of x-ray tube physics and XRF applications, and demonstrated the feasibility of a high-energy x-ray tube based XRF for metal exposure assessment. PMID:28169835

Theoretical modeling of a portable x-ray tube based KXRF system to measure lead in bone.

PubMed

Specht, Aaron J; Weisskopf, Marc G; Nie, Linda Huiling

2017-03-01

K-shell x-ray fluorescence (KXRF) techniques have been used to identify health effects resulting from exposure to metals for decades, but the equipment is bulky and requires significant maintenance and licensing procedures. A portable x-ray fluorescence (XRF) device was developed to overcome these disadvantages, but introduced a measurement dependency on soft tissue thickness. With recent advances to detector technology, an XRF device utilizing the advantages of both systems should be feasible. In this study, we used Monte Carlo simulations to test the feasibility of an XRF device with a high-energy x-ray tube and detector operable at room temperature. We first validated the use of Monte Carlo N-particle transport code (MCNP) for x-ray tube simulations, and found good agreement between experimental and simulated results. Then, we optimized x-ray tube settings and found the detection limit of the high-energy x-ray tube based XRF device for bone lead measurements to be 6.91 µg g -1 bone mineral using a cadmium zinc telluride detector. In conclusion, this study validated the use of MCNP in simulations of x-ray tube physics and XRF applications, and demonstrated the feasibility of a high-energy x-ray tube based XRF for metal exposure assessment.

Internal protein motions in molecular-dynamics simulations of Bragg and diffuse X-ray scattering.

PubMed

Wall, Michael E

2018-03-01

Molecular-dynamics (MD) simulations of Bragg and diffuse X-ray scattering provide a means of obtaining experimentally validated models of protein conformational ensembles. This paper shows that compared with a single periodic unit-cell model, the accuracy of simulating diffuse scattering is increased when the crystal is modeled as a periodic supercell consisting of a 2 × 2 × 2 layout of eight unit cells. The MD simulations capture the general dependence of correlations on the separation of atoms. There is substantial agreement between the simulated Bragg reflections and the crystal structure; there are local deviations, however, indicating both the limitation of using a single structure to model disordered regions of the protein and local deviations of the average structure away from the crystal structure. Although it was anticipated that a simulation of longer duration might be required to achieve maximal agreement of the diffuse scattering calculation with the data using the supercell model, only a microsecond is required, the same as for the unit cell. Rigid protein motions only account for a minority fraction of the variation in atom positions from the simulation. The results indicate that protein crystal dynamics may be dominated by internal motions rather than packing interactions, and that MD simulations can be combined with Bragg and diffuse X-ray scattering to model the protein conformational ensemble.

Internal protein motions in molecular-dynamics simulations of Bragg and diffuse X-ray scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wall, Michael E.

Molecular-dynamics (MD) simulations of Bragg and diffuse X-ray scattering provide a means of obtaining experimentally validated models of protein conformational ensembles. This paper shows that compared with a single periodic unit-cell model, the accuracy of simulating diffuse scattering is increased when the crystal is modeled as a periodic supercell consisting of a 2 × 2 × 2 layout of eight unit cells. The MD simulations capture the general dependence of correlations on the separation of atoms. There is substantial agreement between the simulated Bragg reflections and the crystal structure; there are local deviations, however, indicating both the limitation of using a single structuremore » to model disordered regions of the protein and local deviations of the average structure away from the crystal structure. Although it was anticipated that a simulation of longer duration might be required to achieve maximal agreement of the diffuse scattering calculation with the data using the supercell model, only a microsecond is required, the same as for the unit cell. Rigid protein motions only account for a minority fraction of the variation in atom positions from the simulation. The results indicate that protein crystal dynamics may be dominated by internal motions rather than packing interactions, and that MD simulations can be combined with Bragg and diffuse X-ray scattering to model the protein conformational ensemble.« less

Internal protein motions in molecular-dynamics simulations of Bragg and diffuse X-ray scattering

DOE PAGES

Wall, Michael E.

2018-01-25

Molecular-dynamics (MD) simulations of Bragg and diffuse X-ray scattering provide a means of obtaining experimentally validated models of protein conformational ensembles. This paper shows that compared with a single periodic unit-cell model, the accuracy of simulating diffuse scattering is increased when the crystal is modeled as a periodic supercell consisting of a 2 × 2 × 2 layout of eight unit cells. The MD simulations capture the general dependence of correlations on the separation of atoms. There is substantial agreement between the simulated Bragg reflections and the crystal structure; there are local deviations, however, indicating both the limitation of using a single structuremore » to model disordered regions of the protein and local deviations of the average structure away from the crystal structure. Although it was anticipated that a simulation of longer duration might be required to achieve maximal agreement of the diffuse scattering calculation with the data using the supercell model, only a microsecond is required, the same as for the unit cell. Rigid protein motions only account for a minority fraction of the variation in atom positions from the simulation. The results indicate that protein crystal dynamics may be dominated by internal motions rather than packing interactions, and that MD simulations can be combined with Bragg and diffuse X-ray scattering to model the protein conformational ensemble.« less

Determining transport coefficients for a microscopic simulation of a hadron gas

NASA Astrophysics Data System (ADS)

Pratt, Scott; Baez, Alexander; Kim, Jane

2017-02-01

Quark-gluon plasmas produced in relativistic heavy-ion collisions quickly expand and cool, entering a phase consisting of multiple interacting hadronic resonances just below the QCD deconfinement temperature, T ˜155 MeV. Numerical microscopic simulations have emerged as the principal method for modeling the behavior of the hadronic stage of heavy-ion collisions, but the transport properties that characterize these simulations are not well understood. Methods are presented here for extracting the shear viscosity and two transport parameters that emerge in Israel-Stewart hydrodynamics. The analysis is based on studying how the stress-energy tensor responds to velocity gradients. Results are consistent with Kubo relations if viscous relaxation times are twice the collision time.

Numerical Simulation of Ion Transport in a Nano-Electrospray Ion Source at Atmospheric Pressure

NASA Astrophysics Data System (ADS)

Wang, Wei; Bajic, Steve; John, Benzi; Emerson, David R.

2018-03-01

Understanding ion transport properties from the ion source to the mass spectrometer (MS) is essential for optimizing device performance. Numerical simulation helps in understanding of ion transport properties and, furthermore, facilitates instrument design. In contrast to previously reported numerical studies, ion transport simulations in a continuous injection mode whilst considering realistic space-charge effects have been carried out. The flow field was solved using Reynolds-averaged Navier-Stokes (RANS) equations, and a particle-in-cell (PIC) method was applied to solve a time-dependent electric field with local charge density. A series of ion transport simulations were carried out at different cone gas flow rates, ion source currents, and capillary voltages. A force evaluation analysis reveals that the electric force, the drag force, and the Brownian force are the three dominant forces acting on the ions. Both the experimental and simulation results indicate that cone gas flow rates of ≤250 slph (standard liter per hour) are important for high ion transmission efficiency, as higher cone gas flow rates reduce the ion signal significantly. The simulation results also show that the ion transmission efficiency reduces exponentially with an increased ion source current. Additionally, the ion loss due to space-charge effects has been found to be predominant at a higher ion source current, a lower capillary voltage, and a stronger cone gas counterflow. The interaction of the ion driving force, ion opposing force, and ion dispersion is discussed to illustrate ion transport mechanism in the ion source at atmospheric pressure. [Figure not available: see fulltext.

Numerical Simulation of Ion Transport in a Nano-Electrospray Ion Source at Atmospheric Pressure.

PubMed

Wang, Wei; Bajic, Steve; John, Benzi; Emerson, David R

2018-03-01

Understanding ion transport properties from the ion source to the mass spectrometer (MS) is essential for optimizing device performance. Numerical simulation helps in understanding of ion transport properties and, furthermore, facilitates instrument design. In contrast to previously reported numerical studies, ion transport simulations in a continuous injection mode whilst considering realistic space-charge effects have been carried out. The flow field was solved using Reynolds-averaged Navier-Stokes (RANS) equations, and a particle-in-cell (PIC) method was applied to solve a time-dependent electric field with local charge density. A series of ion transport simulations were carried out at different cone gas flow rates, ion source currents, and capillary voltages. A force evaluation analysis reveals that the electric force, the drag force, and the Brownian force are the three dominant forces acting on the ions. Both the experimental and simulation results indicate that cone gas flow rates of ≤250 slph (standard liter per hour) are important for high ion transmission efficiency, as higher cone gas flow rates reduce the ion signal significantly. The simulation results also show that the ion transmission efficiency reduces exponentially with an increased ion source current. Additionally, the ion loss due to space-charge effects has been found to be predominant at a higher ion source current, a lower capillary voltage, and a stronger cone gas counterflow. The interaction of the ion driving force, ion opposing force, and ion dispersion is discussed to illustrate ion transport mechanism in the ion source at atmospheric pressure. Graphical Abstract.

Diffusive, supersonic x-ray transport in radiatively heated foam cylinders

NASA Astrophysics Data System (ADS)

Back, C. A.; Bauer, J. D.; Hammer, J. H.; Lasinski, B. F.; Turner, R. E.; Rambo, P. W.; Landen, O. L.; Suter, L. J.; Rosen, M. D.; Hsing, W. W.

2000-05-01

Diffusive supersonic radiation transport, where the ratio of the diffusive radiation front velocity to the material sound speed >2 has been studied in experiments on low density (40 mg/cc to 50 mg/cc) foams. Laser-heated Au hohlraums provided a radiation drive that heated SiO2 and Ta2O5 aerogel foams of varying lengths. Face-on emission measurements at 550 eV provided clean signatures of the radiation breakout. The high quality data provides new detailed information on the importance of both the fill and wall material opacities and heat capacities in determining the radiation front speed and curvature. The Marshak radiation wave transport is studied in a geometry that allows direct comparisons with analytic models and two-dimensional code simulations. Experiments show important effects that will affect even nondiffusive and transonic radiation transport experiments studied by others in the field. This work is of basic science interest with applications to inertial confinement fusion and astrophysics.

Gyrofluid theory and simulation of electromagnetic turbulence and transport in tokamak plasmas

NASA Astrophysics Data System (ADS)

Snyder, Philip Benjamin

1999-11-01

Turbulence and transport in toroidal plasmas is studied via the development of an electromagnetic gyrofluid model, and its implementation in realistic nonlinear simulations. This work extends earlier electrostatic gyrofluid models to include magnetic fluctuations and non-adiabatic passing electron dynamics. A new set of electron fluid equations is derived from the drift kinetic equation, via an expansion in the electron-ion mass ratio. These electron equations include descriptions of linear and nonlinear drift motion, Landau damping, and electron-ion collisions. Ion moment equations are derived from the electromagnetic gyrokinetic equation, and the gyrokinetic Poisson's Equation and Ampere's Law close the system. The model is benchmarked with linear gyrokinetic calculations, and good agreement is found for both the finite-β ion temperature gradient (ITG) and kinetic Alfvén ballooning (KBM) instabilities. Nonlinear simulations of ITG and KBM-driven turbulence are performed in toroidal flux tube geometry at a range of values of plasma β, and electromagnetic effects are found to significantly impact turbulent heat and particle transport. At low values of β, transport is reduced, as expected due to the finite-β stabilization of the ITG mode. However, as β approaches the Ideal-MHD stability threshold, transport can increase. In the presence of dissipation provided by a model of electron Landau damping and electron-ion collisions, this transport increase can be quite dramatic. Finally, the results of the simulations are compared to tokamak experiments, and encouraging agreement is found with measured density and temperature fluctuation spectra. Direct comparisons of transport fluxes reveal that electromagnetic effects are important at characteristic edge parameters, bringing predicted fluxes more closely in line with observations.

A simulation-based probabilistic design method for arctic sea transport systems

NASA Astrophysics Data System (ADS)

Martin, Bergström; Ove, Erikstad Stein; Sören, Ehlers

2016-12-01

When designing an arctic cargo ship, it is necessary to consider multiple stochastic factors. This paper evaluates the merits of a simulation-based probabilistic design method specifically developed to deal with this challenge. The outcome of the paper indicates that the incorporation of simulations and probabilistic design parameters into the design process enables more informed design decisions. For instance, it enables the assessment of the stochastic transport capacity of an arctic ship, as well as of its long-term ice exposure that can be used to determine an appropriate level of ice-strengthening. The outcome of the paper also indicates that significant gains in transport system cost-efficiency can be obtained by extending the boundaries of the design task beyond the individual vessel. In the case of industrial shipping, this allows for instance the consideration of port-based cargo storage facilities allowing for temporary shortages in transport capacity and thus a reduction in the required fleet size / ship capacity.

Plasma transport in a simulated magnetic-divertor configuration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Strawitch, C. M.

1981-03-01

The transport properties of plasma on magnetic field lines that intersect a conducting plate are studied experimentally in the Wisconsin internal ring D.C. machine. The magnetic geometry is intended to simulate certain aspects of plasma phenomena that may take place in a tokamak divertor. It is found by a variety of measurements that the cross field transport is non-ambipolar; this may have important implications in heat loading considerations in tokamak divertors. The undesirable effects of nonambipolar flow make it preferable to be able to eliminate it. However, we find that though the non-ambipolarity may be reduced, it is difficult tomore » eliminate entirely. The plasma flow velocity parallel to the magnetic field is found to be near the ion acoustic velocity in all cases. The experimental density and electron temperature profiles are compared to the solutions to a one dimensional transport model that is commonly used in divertor theory.« less

Modeling and Simulation of Cardiogenic Embolic Particle Transport to the Brain

NASA Astrophysics Data System (ADS)

Mukherjee, Debanjan; Jani, Neel; Shadden, Shawn C.

2015-11-01

Emboli are aggregates of cells, proteins, or fatty material, which travel along arteries distal to the point of their origin, and can potentially block blood flow to the brain, causing stroke. This is a prominent mechanism of stroke, accounting for about a third of all cases, with the heart being a prominent source of these emboli. This work presents our investigations towards developing numerical simulation frameworks for modeling the transport of embolic particles originating from the heart along the major arteries supplying the brain. The simulations are based on combining discrete particle method with image based computational fluid dynamics. Simulations of unsteady, pulsatile hemodynamics, and embolic particle transport within patient-specific geometries, with physiological boundary conditions, are presented. The analysis is focused on elucidating the distribution of particles, transport of particles in the head across the major cerebral arteries connected at the Circle of Willis, the role of hemodynamic variables on the particle trajectories, and the effect of considering one-way vs. two-way coupling methods for the particle-fluid momentum exchange. These investigations are aimed at advancing our understanding of embolic stroke using computational fluid dynamics techniques. This research was supported by the American Heart Association grant titled ``Embolic Stroke: Anatomic and Physiologic Insights from Image-Based CFD.''

Transport of Cryptosporidium parvum Oocysts in Charge Heterogeneous Porous Media: Microfluidics Experiment and Numerical Simulation

NASA Astrophysics Data System (ADS)

Liu, Y.; Meng, X.; Guo, Z.; Zhang, C.; Nguyen, T. H.; Hu, D.; Ji, J.; Yang, X.

2017-12-01

Colloidal attachment on charge heterogeneous grains has significant environmental implications for transport of hazardous colloids, such as pathogens, in the aquifer, where iron, manganese, and aluminium oxide minerals are the major source of surface charge heterogeneity of the aquifer grains. A patchwise surface charge model is often used to describe the surface charge heterogeneity of the grains. In the patchwise model, the colloidal attachment efficiency is linearly correlated with the fraction of the favorable patches (θ=λ(θf - θu)+θu). However, our previous microfluidic study showed that the attachment efficiency of oocysts of Cryptosporidium parvum, a waterborne protozoan parasite, was not linear correlated with the fraction of the favorable patches (λ). In this study, we developed a pore scale model to simulate colloidal transport and attachment on charge heterogeneous grains. The flow field was simulated using the LBM method and colloidal transport and attachment were simulated using the Lagrange particle tracking method. The pore scale model was calibrated with experimental results of colloidal and oocyst transport in microfluidic devices and was then used to simulate oocyst transport in charge heterogeneous porous media under a variety of environmental relative conditions, i.e. the fraction of favorable patchwise, ionic strength, and pH. The results of the pore scale simulations were used to evaluate the effect of surface charge heterogeneity on upscaling of oocyst transport from pore to continuum scale and to develop an applicable correlation between colloidal attachment efficiency and the fraction of the favorable patches.

Simulations of neutron transport at low energy: a comparison between GEANT and MCNP.

PubMed

Colonna, N; Altieri, S

2002-06-01

The use of the simulation tool GEANT for neutron transport at energies below 20 MeV is discussed, in particular with regard to shielding and dose calculations. The reliability of the GEANT/MICAP package for neutron transport in a wide energy range has been verified by comparing the results of simulations performed with this package in a wide energy range with the prediction of MCNP-4B, a code commonly used for neutron transport at low energy. A reasonable agreement between the results of the two codes is found for the neutron flux through a slab of material (iron and ordinary concrete), as well as for the dose released in soft tissue by neutrons. These results justify the use of the GEANT/MICAP code for neutron transport in a wide range of applications, including health physics problems.

Water transport in human aquaporin-4: molecular dynamics (MD) simulations.

PubMed

Cui, Yubao; Bastien, David A

2011-09-09

Aquaporin-4 (AQP4) is the predominant water channel in the central nervous system, where it has been reported to be involved in many pathophysiological roles including water transport. In this paper, the AQP4 tetramer was modeled from its PDB structure file, embedded in a palmitoyl-oleoyl-phosphatidyl-choline (POPC) lipid bilayer, solvated in water, then minimized and equilibrated by means of molecular dynamics simulations. Analysis of the equilibrated structure showed that the central pore along the fourfold axis of the tetramers is formed with hydrophobic amino acid residues. In particular, Phe-195, Leu-191 and Leu-75, form the narrowest part of the pore. Therefore water molecules are not expected to transport through the central pore, which was confirmed by MD simulations. Each monomer of the AQP4 tetramers forms a channel whose walls consist mostly of hydrophilic residues. There are eight water molecules in single file observed in each of the four channels, transporting through the selectivity filter containing Arg-216, His-201, Phe-77, Ala-210, and the two conserved Asn-Pro-Ala (NPA) motifs containing Asn-213 and Asn-97. By using Brownian dynamics fluctuation-dissipation-theorem (BD-FDT), the overall free-energy profile was obtained for water transporting through AQP4 for the first time, which gives a complete map of the entire channel of water permeation. Copyright © 2011. Published by Elsevier Inc.

Technical Note: Detective quantum efficiency simulation of a-Se imaging detectors using ARTEMIS.

PubMed

Fang, Yuan; Ito, Takaaki; Nariyuki, Fumito; Kuwabara, Takao; Badano, Aldo; Karim, Karim S

2017-08-01

This work studies the detective quantum efficiency (DQE) of a-Se-based solid state x-ray detectors for medical imaging applications using ARTEMIS, a Monte Carlo simulation tool for modeling x-ray photon, electron and charged carrier transport in semiconductors with the presence of applied electric field. ARTEMIS is used to model the signal formation process in a-Se. The simulation model includes x-ray photon and high-energy electron interactions, and detailed electron-hole pair transport with applied detector bias taking into account drift, diffusion, Coulomb interactions, recombination and trapping. For experimental validation, the DQE performance of prototype a-Se detectors is measured following IEC Testing Standard 62220-1-3. Comparison of simulated and experimental DQE results show reasonable agreement for RQA beam qualities. Experimental validation demonstrated within 5% percentage difference between simulation and experimental DQE results for spatial frequency above 0.25 cycles/mm using uniform applied electric field for RQA beam qualities (RQA5, RQA7 and RQA9). Results include two different prototype detectors with thicknesses of 240 μm and 1 mm. ARTEMIS can be used to model the DQE of a-Se detectors as a function of x-ray energy, detector thickness, and spatial frequency. The ARTEMIS model can be used to improve understanding of the physics of x-ray interactions in a-Se and in optimization studies for the development of novel medical imaging applications. © 2017 American Association of Physicists in Medicine.

COUPLED FREE AND DISSOLVED PHASE TRANSPORT: NEW SIMULATION CAPABILITIES AND PARAMETER INVERSION

EPA Science Inventory

The vadose zone free-phase simulation capabilities of the US EPA Hydrocarbon Spill Screening Model (HSSM) (Weaver et al., 1994) have been linked with the 3-D multi-species dissolved-phase contaminant transport simulator MT3DMS (Zheng and Wang, 1999; Zheng, 2005). The linkage pro...

A proposal for an open source graphical environment for simulating x-ray optics

NASA Astrophysics Data System (ADS)

Sanchez del Rio, Manuel; Rebuffi, Luca; Demsar, Janez; Canestrari, Niccolo; Chubar, Oleg

2014-09-01

A new graphic environment to drive X-ray optics simulation packages such as SHADOW and SRW is proposed. The aim is to simulate a virtual experiment, including the description of the electron beam and simulate the emitted radiation, the optics, the scattering by the sample and radiation detection. Python is chosen as common interaction language. The ingredients of the new application, a glossary of variables for optical component, the selection of visualization tools, and the integration of all these components in a high level workflow environment built on Orange are presented.

Spectrum simulation in DTSA-II.

PubMed

Ritchie, Nicholas W M

2009-10-01

Spectrum simulation is a useful practical and pedagogical tool. Particularly with complex samples or trace constituents, a simulation can help to understand the limits of the technique and the instrument parameters for the optimal measurement. DTSA-II, software for electron probe microanalysis, provides both easy to use and flexible tools for simulating common and less common sample geometries and materials. Analytical models based on (rhoz) curves provide quick simulations of simple samples. Monte Carlo models based on electron and X-ray transport provide more sophisticated models of arbitrarily complex samples. DTSA-II provides a broad range of simulation tools in a framework with many different interchangeable physical models. In addition, DTSA-II provides tools for visualizing, comparing, manipulating, and quantifying simulated and measured spectra.

A gold cyano complex in nitromethane: MD simulation and X-ray diffraction.

PubMed

Probst, Michael; Injan, Natcha; Megyes, Tünde; Bako, Imre; Balint, Szabolcz; Limtrakul, Jumras; Nazmutdinov, Renat; Mitev, Pavlin D; Hermansson, Kersti

2012-06-29

The solvation structure around the dicyanoaurate(I) anion (Au(CN) 2 - ) in a dilute nitromethane (CH 3 NO 2 ) solution is presented from X-ray diffraction measurements and molecular dynamics simulation (NVT ensemble, 460 nitromethane molecules at room temperature). The simulations are based on a new solute-solvent force-field fitted to a training set of quantum-chemically derived interaction energies. Radial distribution functions from experiment and simulation are in good agreement. The solvation structure has been further elucidated from MD data. Several shells can be identified. We obtain a solvation number of 13-17 nitromethane molecules with a strong preference to be oriented with their methyl groups towards the solute.

Monte Carlo simulation of x-ray buildup factors of lead and its applications in shielding of diagnostic x-ray facilities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kharrati, Hedi; Agrebi, Amel; Karaoui, Mohamed-Karim

2007-04-15

X-ray buildup factors of lead in broad beam geometry for energies from 15 to 150 keV are determined using the general purpose Monte Carlo N-particle radiation transport computer code (MCNP4C). The obtained buildup factors data are fitted to a modified three parameter Archer et al. model for ease in calculating the broad beam transmission with computer at any tube potentials/filters combinations in diagnostic energies range. An example for their use to compute the broad beam transmission at 70, 100, 120, and 140 kVp is given. The calculated broad beam transmission is compared to data derived from literature, presenting good agreement.more » Therefore, the combination of the buildup factors data as determined and a mathematical model to generate x-ray spectra provide a computationally based solution to broad beam transmission for lead barriers in shielding x-ray facilities.« less

Comparison of heavy-ion transport simulations: Collision integral in a box

NASA Astrophysics Data System (ADS)

Zhang, Ying-Xun; Wang, Yong-Jia; Colonna, Maria; Danielewicz, Pawel; Ono, Akira; Tsang, Manyee Betty; Wolter, Hermann; Xu, Jun; Chen, Lie-Wen; Cozma, Dan; Feng, Zhao-Qing; Das Gupta, Subal; Ikeno, Natsumi; Ko, Che-Ming; Li, Bao-An; Li, Qing-Feng; Li, Zhu-Xia; Mallik, Swagata; Nara, Yasushi; Ogawa, Tatsuhiko; Ohnishi, Akira; Oliinychenko, Dmytro; Papa, Massimo; Petersen, Hannah; Su, Jun; Song, Taesoo; Weil, Janus; Wang, Ning; Zhang, Feng-Shou; Zhang, Zhen

2018-03-01

Simulations by transport codes are indispensable to extract valuable physical information from heavy-ion collisions. In order to understand the origins of discrepancies among different widely used transport codes, we compare 15 such codes under controlled conditions of a system confined to a box with periodic boundary, initialized with Fermi-Dirac distributions at saturation density and temperatures of either 0 or 5 MeV. In such calculations, one is able to check separately the different ingredients of a transport code. In this second publication of the code evaluation project, we only consider the two-body collision term; i.e., we perform cascade calculations. When the Pauli blocking is artificially suppressed, the collision rates are found to be consistent for most codes (to within 1 % or better) with analytical results, or completely controlled results of a basic cascade code. In orderto reach that goal, it was necessary to eliminate correlations within the same pair of colliding particles that can be present depending on the adopted collision prescription. In calculations with active Pauli blocking, the blocking probability was found to deviate from the expected reference values. The reason is found in substantial phase-space fluctuations and smearing tied to numerical algorithms and model assumptions in the representation of phase space. This results in the reduction of the blocking probability in most transport codes, so that the simulated system gradually evolves away from the Fermi-Dirac toward a Boltzmann distribution. Since the numerical fluctuations are weaker in the Boltzmann-Uehling-Uhlenbeck codes, the Fermi-Dirac statistics is maintained there for a longer time than in the quantum molecular dynamics codes. As a result of this investigation, we are able to make judgements about the most effective strategies in transport simulations for determining the collision probabilities and the Pauli blocking. Investigation in a similar vein of other ingredients

Design Considerations of a Virtual Laboratory for Advanced X-ray Sources

NASA Astrophysics Data System (ADS)

Luginsland, J. W.; Frese, M. H.; Frese, S. D.; Watrous, J. J.; Heileman, G. L.

2004-11-01

The field of scientific computation has greatly advanced in the last few years, resulting in the ability to perform complex computer simulations that can predict the performance of real-world experiments in a number of fields of study. Among the forces driving this new computational capability is the advent of parallel algorithms, allowing calculations in three-dimensional space with realistic time scales. Electromagnetic radiation sources driven by high-voltage, high-current electron beams offer an area to further push the state-of-the-art in high fidelity, first-principles simulation tools. The physics of these x-ray sources combine kinetic plasma physics (electron beams) with dense fluid-like plasma physics (anode plasmas) and x-ray generation (bremsstrahlung). There are a number of mature techniques and software packages for dealing with the individual aspects of these sources, such as Particle-In-Cell (PIC), Magneto-Hydrodynamics (MHD), and radiation transport codes. The current effort is focused on developing an object-oriented software environment using the Rational© Unified Process and the Unified Modeling Language (UML) to provide a framework where multiple 3D parallel physics packages, such as a PIC code (ICEPIC), a MHD code (MACH), and a x-ray transport code (ITS) can co-exist in a system-of-systems approach to modeling advanced x-ray sources. Initial software design and assessments of the various physics algorithms' fidelity will be presented.

Velocity Resolved---Scalar Modeled Simulations of High Schmidt Number Turbulent Transport

NASA Astrophysics Data System (ADS)

Verma, Siddhartha

The objective of this thesis is to develop a framework to conduct velocity resolved - scalar modeled (VR-SM) simulations, which will enable accurate simulations at higher Reynolds and Schmidt (Sc) numbers than are currently feasible. The framework established will serve as a first step to enable future simulation studies for practical applications. To achieve this goal, in-depth analyses of the physical, numerical, and modeling aspects related to Sc " 1 are presented, specifically when modeling in the viscous-convective subrange. Transport characteristics are scrutinized by examining scalar-velocity Fourier mode interactions in Direct Numerical Simulation (DNS) datasets and suggest that scalar modes in the viscous-convective subrange do not directly affect large-scale transport for high Sc . Further observations confirm that discretization errors inherent in numerical schemes can be sufficiently large to wipe out any meaningful contribution from subfilter models. This provides strong incentive to develop more effective numerical schemes to support high Sc simulations. To lower numerical dissipation while maintaining physically and mathematically appropriate scalar bounds during the convection step, a novel method of enforcing bounds is formulated, specifically for use with cubic Hermite polynomials. Boundedness of the scalar being transported is effected by applying derivative limiting techniques, and physically plausible single sub-cell extrema are allowed to exist to help minimize numerical dissipation. The proposed bounding algorithm results in significant performance gain in DNS of turbulent mixing layers and of homogeneous isotropic turbulence. Next, the combined physical/mathematical behavior of the subfilter scalar-flux vector is analyzed in homogeneous isotropic turbulence, by examining vector orientation in the strain-rate eigenframe. The results indicate no discernible dependence on the modeled scalar field, and lead to the identification of the tensor

Simulation Studies of the X-Ray Free-Electron Laser Oscillator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lindberg, R. R.; Shyd'ko, Y.; Kim, K.-J

Simulations of the x-ray free-electron laser (FEL) oscillator are presented that include transverse effects and realistic Bragg crystal properties with the two-dimensional code GINGER. In the present cases considered the radiation divergence is much narrower than the crystal acceptance, and the numerical algorithm can be simplified by ignoring the finite angular bandwidth of the crystal. In this regime GINGER shows that the saturated x-ray pulses have 109 photons and are nearly Fourier-limited with peak powers in excess of 1 MW. Wealso include preliminary results for a four-mirror cavity that can be tuned in wavelength over a few percent, with futuremore » plans to incorporate the full transverse response of the Bragg crystals into GINGER to more accurately model this tunable source.« less

Simulation of energy spectrum of GEM detector from an x-ray quantum

NASA Astrophysics Data System (ADS)

Malinowski, K.; Chernyshova, M.; Czarski, T.; Kowalska-Strzęciwilk, E.; Linczuk, P.; Wojeński, A.; Krawczyk, R.; Gąska, M.

2018-01-01

This paper presents the results of the energy resolution simulation for the triple GEM-based detector for x-ray quantum of 5.9 keV . Photons of this energy are emitted by 55Fe source, which is a standard calibration marker for this type of detectors. The calculations were made in Garfield++ in two stages. In the first stage, the distribution of the amount of primary electrons generated in the drift volume by the x-ray quantum was simulated using the Heed program. Secondly, the primary electrons of the resulting quantitative distribution were treated as a source of electron avalanches propagated through the whole volume of the triple GEM-based detector. The distribution of the obtained signals created a spectrum corresponding to the peak at 5.9 keV, which allowed us to determine the theoretical energy resolution of the detector. Its knowledge allows observing and improving the eventual experimental deterioration of the energy resolution, inevitably accompanying processes of registration and processing of the signals.

Unbiased Simulations Reveal the Inward-Facing Conformation of the Human Serotonin Transporter and Na+ Ion Release

PubMed Central

Koldsø, Heidi; Noer, Pernille; Grouleff, Julie; Autzen, Henriette Elisabeth; Sinning, Steffen; Schiøtt, Birgit

2011-01-01

Monoamine transporters are responsible for termination of synaptic signaling and are involved in depression, control of appetite, and anxiety amongst other neurological processes. Despite extensive efforts, the structures of the monoamine transporters and the transport mechanism of ions and substrates are still largely unknown. Structural knowledge of the human serotonin transporter (hSERT) is much awaited for understanding the mechanistic details of substrate translocation and binding of antidepressants and drugs of abuse. The publication of the crystal structure of the homologous leucine transporter has resulted in homology models of the monoamine transporters. Here we present extended molecular dynamics simulations of an experimentally supported homology model of hSERT with and without the natural substrate yielding a total of more than 1.5 µs of simulation of the protein dimer. The simulations reveal a transition of hSERT from an outward-facing occluded conformation to an inward-facing conformation in a one-substrate-bound state. Simulations with a second substrate in the proposed symport effector site did not lead to conformational changes associated with translocation. The central substrate binding site becomes fully exposed to the cytoplasm leaving both the Na+-ion in the Na2-site and the substrate in direct contact with the cytoplasm through water interactions. The simulations reveal how sodium is released and show indications of early events of substrate transport. The notion that ion dissociation from the Na2-site drives translocation is supported by experimental studies of a Na2-site mutant. Transmembrane helices (TMs) 1 and 6 are identified as the helices involved in the largest movements during transport. PMID:22046120

Measurement of Preheat Due to Nonlocal Electron Transport in Warm Dense Matter

NASA Astrophysics Data System (ADS)

Falk, K.; Holec, M.; Fontes, C. J.; Fryer, C. L.; Greeff, C. W.; Johns, H. M.; Montgomery, D. S.; Schmidt, D. W.; Šmíd, M.

2018-01-01

This Letter presents a novel approach to study electron transport in warm dense matter. It also includes the first x-ray Thomson scattering (XRTS) measurement from low-density CH foams compressed by a strong laser-driven shock at the OMEGA laser facility. The XRTS measurement is combined with velocity interferometry (VISAR) and optical pyrometry (SOP) providing a robust measurement of thermodynamic conditions in the shock. Evidence of significant preheat contributing to elevated temperatures reaching 17.5-35 eV in shocked CH foam is measured by XRTS. These measurements are complemented by abnormally high shock velocities observed by VISAR and early emission seen by SOP. These results are compared to radiation hydrodynamics simulations that include first-principles treatment of nonlocal electron transport in warm dense matter with excellent agreement. Additional simulations confirm that the x-ray contribution to this preheat is negligible.

Kinetic Modeling of Ultraintense X-ray Laser-Matter Interactions

NASA Astrophysics Data System (ADS)

Royle, Ryan; Sentoku, Yasuhiko; Mancini, Roberto

2016-10-01

Hard x-ray free-electron lasers (XFELs) have had a profound impact on the physical, chemical, and biological sciences. They can produce millijoule x-ray laser pulses just tens of femtoseconds in duration with more than 1012 photons each, making them the brightest laboratory x-ray sources ever produced by several orders of magnitude. An XFEL pulse can be intensified to 1020 W/cm2 when focused to submicron spot sizes, making it possible to isochorically heat solid matter well beyond 100 eV. These characteristics enable XFELs to create and probe well-characterized warm and hot dense plasmas of relevance to HED science, planetary science, laboratory astrophysics, relativistic laser plasmas, and fusion research. Several newly developed atomic physics models including photoionization, Auger ionization, and continuum-lowering have been implemented in a particle-in-cell code, PICLS, which self-consistently solves the x-ray transport, to enable the simulation of the non-LTE plasmas created by ultraintense x-ray laser interactions with solid density matter. The code is validated against the results of several recent experiments and is used to simulate the maximum-intensity x-ray heating of solid iron targets. This work was supported by DOE/OFES under Contract No. DE-SC0008827.

Dust Emissions, Transport, and Deposition Simulated with the NASA Finite-Volume General Circulation Model

NASA Technical Reports Server (NTRS)

Colarco, Peter; daSilva, Arlindo; Ginoux, Paul; Chin, Mian; Lin, S.-J.

2003-01-01

Mineral dust aerosols have radiative impacts on Earth's atmosphere, have been implicated in local and regional air quality issues, and have been identified as vectors for transporting disease pathogens and bringing mineral nutrients to terrestrial and oceanic ecosystems. We present for the first time dust simulations using online transport and meteorological analysis in the NASA Finite-Volume General Circulation Model (FVGCM). Our dust formulation follows the formulation in the offline Georgia Institute of Technology-Goddard Global Ozone Chemistry Aerosol Radiation and Transport Model (GOCART) using a topographical source for dust emissions. We compare results of the FVGCM simulations with GOCART, as well as with in situ and remotely sensed observations. Additionally, we estimate budgets of dust emission and transport into various regions.

Flight Simulator Platform Motion and Air Transport Pilot Training

NASA Technical Reports Server (NTRS)

Lee, Alfred T.; Bussolari, Steven R.

1989-01-01

The influence of flight simulator platform motion on pilot training and performance was examined In two studies utilizing a B-727-200 aircraft simulator. The simulator, located at Ames Research Center, Is certified by the FAA for upgrade and transition training in air carrier operations. Subjective ratings and objective performance of experienced B-727 pilots did not reveal any reliable effects of wide variations In platform motion de- sign. Motion platform variations did, however, affect the acquisition of control skill by pilots with no prior heavy aircraft flying experience. The effect was limited to pitch attitude control inputs during the early phase of landing training. Implications for the definition of platform motion requirements in air transport pilot training are discussed.

LCP crystallization and X-ray diffraction analysis of VcmN, a MATE transporter from Vibrio cholerae

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kusakizako, Tsukasa; Tanaka, Yoshiki; Hipolito, Christopher J.

A V. cholerae MATE transporter was crystallized using the lipidic cubic phase (LCP) method. X-ray diffraction data sets were collected from single crystals obtained in a sandwich plate and a sitting-drop plate to resolutions of 2.5 and 2.2 Å, respectively. Multidrug and toxic compound extrusion (MATE) transporters, one of the multidrug exporter families, efflux xenobiotics towards the extracellular side of the membrane. Since MATE transporters expressed in bacterial pathogens contribute to multidrug resistance, they are important therapeutic targets. Here, a MATE-transporter homologue from Vibrio cholerae, VcmN, was overexpressed in Escherichia coli, purified and crystallized in lipidic cubic phase (LCP). X-raymore » diffraction data were collected to 2.5 Å resolution from a single crystal obtained in a sandwich plate. The crystal belonged to space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 52.3, b = 93.7, c = 100.2 Å. As a result of further LCP crystallization trials, crystals of larger size were obtained using sitting-drop plates. X-ray diffraction data were collected to 2.2 Å resolution from a single crystal obtained in a sitting-drop plate. The crystal belonged to space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 61.9, b = 91.8, c = 100.9 Å. The present work provides valuable insights into the atomic resolution structure determination of membrane transporters.« less

Simulation of prompt gamma-ray emission during proton radiotherapy.

PubMed

Verburg, Joost M; Shih, Helen A; Seco, Joao

2012-09-07

The measurement of prompt gamma rays emitted from proton-induced nuclear reactions has been proposed as a method to verify in vivo the range of a clinical proton radiotherapy beam. A good understanding of the prompt gamma-ray emission during proton therapy is key to develop a clinically feasible technique, as it can facilitate accurate simulations and uncertainty analysis of gamma detector designs. Also, the gamma production cross-sections may be incorporated as prior knowledge in the reconstruction of the proton range from the measurements. In this work, we performed simulations of proton-induced nuclear reactions with the main elements of human tissue, carbon-12, oxygen-16 and nitrogen-14, using the nuclear reaction models of the GEANT4 and MCNP6 Monte Carlo codes and the dedicated nuclear reaction codes TALYS and EMPIRE. For each code, we made an effort to optimize the input parameters and model selection. The results of the models were compared to available experimental data of discrete gamma line cross-sections. Overall, the dedicated nuclear reaction codes reproduced the experimental data more consistently, while the Monte Carlo codes showed larger discrepancies for a number of gamma lines. The model differences lead to a variation of the total gamma production near the end of the proton range by a factor of about 2. These results indicate a need for additional theoretical and experimental study of proton-induced gamma emission in human tissue.

Interactive X-ray and proton therapy training and simulation.

PubMed

Hamza-Lup, Felix G; Farrar, Shane; Leon, Erik

2015-10-01

External beam X-ray therapy (XRT) and proton therapy (PT) are effective and widely accepted forms of treatment for many types of cancer. However, the procedures require extensive computerized planning. Current planning systems for both XRT and PT have insufficient visual aid to combine real patient data with the treatment device geometry to account for unforeseen collisions among system components and the patient. The 3D surface representation (S-rep) is a widely used scheme to create 3D models of physical objects. 3D S-reps have been successfully used in CAD/CAM and, in conjunction with texture mapping, in the modern gaming industry to customize avatars and improve the gaming realism and sense of presence. We are proposing a cost-effective method to extract patient-specific S-reps in real time and combine them with the treatment system geometry to provide a comprehensive simulation of the XRT/PT treatment room. The X3D standard is used to implement and deploy the simulator on the web, enabling its use not only for remote specialists' collaboration, simulation, and training, but also for patient education. An objective assessment of the accuracy of the S-reps obtained proves the potential of the simulator for clinical use.

GPU-accelerated Red Blood Cells Simulations with Transport Dissipative Particle Dynamics.

PubMed

Blumers, Ansel L; Tang, Yu-Hang; Li, Zhen; Li, Xuejin; Karniadakis, George E

2017-08-01

Mesoscopic numerical simulations provide a unique approach for the quantification of the chemical influences on red blood cell functionalities. The transport Dissipative Particles Dynamics (tDPD) method can lead to such effective multiscale simulations due to its ability to simultaneously capture mesoscopic advection, diffusion, and reaction. In this paper, we present a GPU-accelerated red blood cell simulation package based on a tDPD adaptation of our red blood cell model, which can correctly recover the cell membrane viscosity, elasticity, bending stiffness, and cross-membrane chemical transport. The package essentially processes all computational workloads in parallel by GPU, and it incorporates multi-stream scheduling and non-blocking MPI communications to improve inter-node scalability. Our code is validated for accuracy and compared against the CPU counterpart for speed. Strong scaling and weak scaling are also presented to characterizes scalability. We observe a speedup of 10.1 on one GPU over all 16 cores within a single node, and a weak scaling efficiency of 91% across 256 nodes. The program enables quick-turnaround and high-throughput numerical simulations for investigating chemical-driven red blood cell phenomena and disorders.

Bringing global gyrokinetic turbulence simulations to the transport timescale using a multiscale approach

NASA Astrophysics Data System (ADS)

Parker, Jeffrey; Lodestro, Lynda; Told, Daniel; Merlo, Gabriele; Ricketson, Lee; Campos, Alejandro; Jenko, Frank; Hittinger, Jeffrey

2017-10-01

Predictive whole-device simulation models will play an increasingly important role in ensuring the success of fusion experiments and accelerating the development of fusion energy. In the core of tokamak plasmas, a separation of timescales between turbulence and transport makes a single direct simulation of both processes computationally expensive. We present the first demonstration of a multiple-timescale method coupling global gyrokinetic simulations with a transport solver to calculate the self-consistent, steady-state temperature profile. Initial results are highly encouraging, with the coupling method appearing robust to the difficult problem of turbulent fluctuations. The method holds potential for integrating first-principles turbulence simulations into whole-device models and advancing the understanding of global plasma behavior. Work supported by US DOE under Contract DE-AC52-07NA27344 and the Exascale Computing Project (17-SC-20-SC).

New simulation of QSO X-ray heating during the Cosmic Dawn