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All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

A Numerical Study of Forbush Decreases with a 3D Cosmic-Ray Modulation Model Based on an SDE Approach

Based on the reduced diffusion mechanism for producing Forbush decreases (Fds) in the heliosphere, we constructed a three-dimensional (3D) diffusion barrier, and by incorporating it into a stochastic differential equation (SDE) based time-dependent, cosmic-ray transport model, a 3D numerical model for simulating Fds is built and applied to a period of relatively quiet solar activity. This SDE model generally corroborates previous Fd simulations concerning the effects of the solar magnetic polarity, the tilt angle of the heliospheric current sheet (HCS), and cosmic-ray particle energy. Because the modulation processes in this 3D model are multi-directional, the barrier’s geometrical features affect the intensity profiles of Fds differently. We find that both the latitudinal and longitudinal extent of the barrier have relatively fewer effects on these profiles than its radial extent and the level of decreased diffusion inside the disturbance. We find, with the 3D approach, that the HCS rotational motion causes the relative location from the observation point to the HCS to vary, so that a periodic pattern appears in the cosmic-ray intensity at the observing location. Correspondingly, the magnitude and recovery time of an Fd change, and the recovering intensity profile contains oscillation as well. Investigating the Fd magnitude variation with heliocentric radial distance, we find that the magnitude decreases overall and, additionally, that the Fd magnitude exhibits an oscillating pattern as the radial distance increases, which coincides well with the wavy profile of the HCS under quiet solar modulation conditions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Silicon-on-nitride structures for mid-infrared gap-plasmon waveguiding

Silicon-on-nitride (SON) is a convenient, low-loss platform for mid-infrared group IV plasmonics and photonics. We have designed 5-layer SON channel-waveguides and slab-waveguides for the 2.0 to 5.4 μm wavelength range and have simulated the resulting three-dimensional (3D) and two-dimensional (2D) SON gap-plasmon modes. Our simulations show propagation lengths of ∼60 μm for 3D gap-strip modes having a 0.003 λ{sup 2} cross-section. Because the ∼50-nm SON (Si{sub 3}N{sub 4}) mode region is also a gate insulator between silver (Ag) and n-doped Silicon (Si), metal-oxide-semiconductor accumulation gating is available for electro-optical loss modulation of the gap-confined mode.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Physical Correlations and Predictions Emerging from Modern Core-collapse Supernova Theory

Abstract In this paper, we derive correlations between core-collapse supernova observables and progenitor core structures that emerge from our suite of 20 state-of-the-art 3D core-collapse supernova simulations carried to late times. This is the largest such collection of 3D supernova models ever generated and allows one to witness and derive testable patterns that might otherwise be obscured when studying one or a few models in isolation. From this panoramic perspective, we have discovered correlations between explosion energy, neutron star gravitational birth masses, 56 Ni and α -rich freezeout yields, and pulsar kicks and theoretically important correlations with the compactness parameter of progenitor structure. We find a correlation between explosion energy and progenitor mantle binding energy, suggesting that such explosions are self-regulating. We also find a testable correlation between explosion energy and measures of explosion asymmetry, such as the ejecta energy and mass dipoles. While the correlations between two observables are roughly independent of the progenitor zero-age main-sequence (ZAMS) mass, the many correlations we derive with compactness cannot unambiguously be tied to a particular progenitor ZAMS mass. This relationship depends on the compactness/ZAMS mass mapping associated with the massive star progenitor models employed. Therefore, our derived correlations between compactness and observables may be more robust than with ZAMS mass but can nevertheless be used in the future once massive star modeling has converged.

Astronomy & Astrophysics↗
DOE OSTI2013

Investigation of realistic PET simulations incorporating tumor patient's specificity using anthropomorphic models: Creation of an oncology database

Purpose: The GATE Monte Carlo simulation toolkit is used for the implementation of realistic PET simulations incorporating tumor heterogeneous activity distributions. The reconstructed patient images include noise from the acquisition process, imaging system's performance restrictions and have limited spatial resolution. For those reasons, the measured intensity cannot be simply introduced in GATE simulations, to reproduce clinical data. Investigation of the heterogeneity distribution within tumors applying partial volume correction (PVC) algorithms was assessed. The purpose of the present study was to create a simulated oncology database based on clinical data with realistic intratumor uptake heterogeneity properties.Methods: PET/CT data of seven oncology patients were used in order to create a realistic tumor database investigating the heterogeneity activity distribution of the simulated tumors. The anthropomorphic models (NURBS based cardiac torso and Zubal phantoms) were adapted to the CT data of each patient, and the activity distribution was extracted from the respective PET data. The patient-specific models were simulated with the Monte Carlo Geant4 application for tomography emission (GATE) in three different levels for each case: (a) using homogeneous activity within the tumor, (b) using heterogeneous activity distribution in every voxel within the tumor as it was extracted from the PET image, and (c) using heterogeneous activity distribution corresponding to the clinical image following PVC. The three different types of simulated data in each case were reconstructed with two iterations and filtered with a 3D Gaussian postfilter, in order to simulate the intratumor heterogeneous uptake. Heterogeneity in all generated images was quantified using textural feature derived parameters in 3D according to the ground truth of the simulation, and compared to clinical measurements. Finally, profiles were plotted in central slices of the tumors, across lines with heterogeneous activity distribution for visual assessment.Results: The accuracy of the simulated database was assessed against the original clinical images. The PVC simulated images matched the clinical ones best. Local, regional, and global features extracted from the PVC simulated images were closest to the clinical measurements, with the exception of the size zone variability and the mean intensity values, where heterogeneous tumors showed better reproducibility. The profiles on PVC simulated tumors after postfiltering seemed to represent the more realistic heterogeneous regions with respect to the clinical reference.Conclusions: In this study, the authors investigated the input activity map heterogeneity in the GATE simulations of tumors with heterogeneous activity distribution. The most realistic heterogeneous tumors were obtained by inserting PVC activity distributions from the clinical image into the activity map of the simulation. Partial volume effect (PVE) can play a crucial role in the quantification of heterogeneity within tumors and have an important impact on applications such as patient follow-up during treatment and assessment of tumor response to therapy. The development of such a database incorporating patient anatomical and functional variability can be used to evaluate new image processing or analysis algorithms, while providing control of the ground truth, which is not available when dealing with clinical datasets. The database includes all images used and generated in this study, as well as the sinograms and the attenuation phantoms for further investigation. It is freely available to the interested reader of the journal at http://www.med.upatras.gr/oncobase/.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
NASA NTRS2004

Numerical Simulation of Two-grid Ion Optics Using a 3D Code

A three-dimensional ion optics code has been developed under NASA's Project Prometheus to model two grid ion optics systems. The code computes the flow of positive ions from the discharge chamber through the ion optics and into the beam downstream of the thruster. The rate at which beam ions interact with background neutral gas to form charge exchange ions is also computed. Charge exchange ion trajectories are computed to determine where they strike the ion optics grid surfaces and to determine the extent of sputter erosion they cause. The code has been used to compute predictions of the erosion pattern and wear rate on the NSTAR ion optics system; the code predicts the shape of the eroded pattern but overestimates the initial wear rate by about 50%. An example of use of the code to estimate the NEXIS thruster accelerator grid life is also presented.

ion optics↗
DOE OSTI2014

The RISMC Approach to Perform Advanced PRA Analyses

The existing fleet of nuclear power plants is in the process of extending its lifetime and increasing the power generated from these plants via power uprates. In order to evaluate the impact of these two factors on the safety of the plant, the RISMC Pathway aims to develop simulation-based tools and methods to assess risks for existing nuclear power plants in order to optimize safety. This pathway, by developing new methods, is extending the state-of-the-practice methods that have been traditionally based on logic structures such as Event-Trees and Fault-Trees. These static types of models mimic system response in an inductive and deductive way respectively, yet are restrictive in the ways they can represent spatial and temporal constructs. RISMC analyses are performed by using a combination of thermal-hydraulic codes and a stochastic analysis tool currently under development at the Idaho National Laboratory, i.e. RAVEN. This paper presents a case study in order to show the capabilities of the RISMC methodology to assess impact of power uprate of a boiling water reactor system during a station blackout accident scenario. We employ the system simulator code, RELAP5-3D, coupled with RAVEN which perform the stochastic analysis. Our analysis is in fact performed by: 1) sampling values of a set of parameters from the uncertainty space of interest, 2) simulating the system behavior for that specific set of parameter values and 3) analyzing the set of simulation runs. Results obtained give a detailed investigation of the issues associated with a plant power uprate including the effects of station blackout accident scenarios. We are able to quantify how the timing of specific events was impacted by a higher nominal reactor core power. Such safety insights can provide useful information to the decision makers to perform risk informed margins management.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Evaluating and Improving the USGS 3D Seismic Velocity Model in the San Francisco East Bay by Integrating Earthquake Ground-Motion Simulations and Noise-Derived Empirical Green's Functions

Simulations of scenario earthquake ground motions play an increasingly important role in improving seismic hazard assessment. In the San Francisco Bay Area (SFBA) the USGS has developed a 3D geologic/seismic model. Simulations of large magnitude (M) 7 Hayward Fault scenario earthquakes show dramatic differences in peak ground motions across the fault, arising from wavespeed differences, which highlights the need to evaluate the model. Our comparison of observed and simulated waveforms from M 4 SFBA earthquakes reveals bias in the travel times of direct S-waves for paths crossing the East Bay Hills, east of Hayward Fault, suggests that the shear wavespeeds in the upper crust of the USGS 3D model are too low, resulting in large delay times of S-wave arrivals at the East Bay Hills. We also retrieved noise-derived Green's functions (NGFs) and examined the path-specific bias in the USGS 3D model. We systematically compared synthetic waveforms with the 3D velocity model and observed NGFs. Our result shows that the time lags between the synthetic and observed data ranging from 2-5 seconds for the ray paths propagating the East Bay Hills. This result also suggests that the SFBA 3D model generates arrivals that are too slow. Additionally, we evaluate the Rayleigh-wave ellipticity to evaluate the subsurface velocity beneath seismic stations. A lateral variation in Rayleigh-wave ellipticity across the Hayward fault is observed, which will contribute to refine the SFBA 3D velocity model.

58 GEOSCIENCES↗
DOE OSTI2019

Numerical Simulation of M9 Megathrust Earthquakes in the Cascadia Subduction Zone

We estimate ground motions in the Pacific Northwest urban areas during M9 subduction scenario earthquakes on the Cascadia megathrust by simulating wave propagation from an ensemble of kinematic source descriptions. Velocities and densities in our computational mesh are defined by integrating the regional Cascadia Community Velocity Model (CVM) v1.6 (Stephenson et al. P-and S-wave velocity models incorporating the Cascadia subduction zone for 3D earthquake ground motion simulations—update for open-file report 2007–1348, US Geological Survey, 2017) including the ocean water layer with a local velocity model of the Georgia basin (Molnar, Predicting earthquake ground shaking due to 1D soil layering and 3D basin structure in SW British Columbia, Canada, 2011), including additional near-surface velocity information. We generate six source realizations, each consisting of a background slip distribution with correlation lengths, rise times and rupture velocities consistent with data from previous megathrust earthquakes (e.g., 2011 M 9 Tohoku or 2010 M 8.8 Maule). We then superimpose M ~ 8 subevents, characterized by short rise times and high stress drops on the background slip model to mimic high-frequency strong ground motion generation areas in the deeper portion of the rupture (Frankel, Bull Seismol Soc Am 107(1):372–386, 2017). The wave propagation is simulated using the discontinuous mesh (DM) version of the AWP finite difference code. We simulate frequencies up to 1.25 Hz, using a spatial discretization of 100 m in the fine grid, resulting in surface grid dimensions of 6540 × 10,728 mesh points. At depths below 8 km, the grid step increases to 300 m. We obtain stable and accurate results for the DM method throughout the simulation time of 7.5 min as verified against a solution obtained with a uniform 100 m grid spacing. Peak ground velocities (PGVs) range between 0.57 and 1.0 m/s in downtown Seattle and between 0.25 and 0.54 m/s in downtown Vancouver, while spectral accelerations at 2 s range between 1.7 and 3.6 m/s 2 and 1.0 and 1.3 m/s 2 , respectively. These long-period ground motions are not significantly reduced if plastic Drucker-Prager yielding in shallow cohesionless sediments is taken into account. Effects of rupture directivity are significant at periods of ~ 10 s, but almost absent at shorter periods. We find that increasing the depth extent of the subducting slab from the truncation at 60 km in the Cascadia CVM version 1.6 to ~ 100 km increases the PGVs by 15% in Seattle and by 40% in Vancouver.

finite difference method↗
DOE OSTI2016

BWR station blackout: A RISMC analysis using RAVEN and RELAP5-3D

The existing fleet of nuclear power plants is in the process of extending its lifetime and increasing the power generated from these plants via power uprates and improved operations. In order to evaluate the impact of these factors on the safety of the plant, the Risk-Informed Safety Margin Characterization (RISMC) project aims to provide insights to decision makers through a series of simulations of the plant dynamics for different initial conditions and accident scenarios. This paper presents a case study in order to show the capabilities of the RISMC methodology to assess impact of power uprate of a Boiling Water Reactor system during a Station Black-Out accident scenario. We employ a system simulator code, RELAP5-3D, coupled with RAVEN which perform the stochastic analysis. Lastly, our analysis is performed by: 1) sampling values from a set of parameters from the uncertainty space of interest, 2) simulating the system behavior for that specific set of parameter values and 3) analyzing the outcomes from the set of simulation runs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

A GPU ‐Accelerated 3D Unstructured Mesh Based Particle Tracking Code for Multi‐Species Impurity Transport Simulation in Fusion Tokamaks

ABSTRACT This paper presents the multi‐species global impurity transport capability developed in a GPU‐accelerated fully 3D unstructured mesh‐based code, GITRm, to simultaneously track multiple impurity species and handle interactions of these impurities with mixed‐material surfaces. Different computational approaches to model particle‐surface interaction or surface response have been developed and compared. Sheath electric field is taken into account by employing a fast distance‐to‐boundary calculation, which is carried out in parallel on distributed or partitioned meshes on multiple GPUs without the need for any inter‐process communication during the simulation. Several example cases, including two for the DIII‐D tokamak, that is, one with the SAS‐V divertor and the other with the collector probes, are used to demonstrate the utility of the current multi‐species capability. For the DIII‐D probe case, the capability of GITRm to resolve the spatial distribution of particles in localized regions, such as diagnostic probes, within non‐axisymmetric tokamak geometries is demonstrated. These simulations involve up to 320 million particles and utilize up to 48 GPUs.

Nath, Dhyanjyoti D. [Scientific Computation Resear↗
NASA NTRS2022

Full-Wave Simulations of Scattering by Corn Fields at L-Band

In this paper, the Numerical Maxwell Model of 3D (NMM3D) full-wave simulation is performed over a corn field using a hybrid method to study the vegetation effect on the microwave. The commercial software of FEKO is used to extract T-matrix of single corn in the first step. Then the calculated T-matrix is combined with Wave Multiple Scattering Theory (W-MST) in the second step to consider the multiple scattering among different plants. The hybrid method is validated with HFSS by solving scattering from 2 corns. A corn field of 25 corn is simulated using the hybrid method and the transmission is calculated and compared with those obtained from the classical radiative transfer model.

Yueh, Simon↗
DOE OSTI2014

Design and development of permanent magnet based focusing lens for J-Band Klystron

Applying permanent magnet technology to beam focusing in klystrons can reduce their power consumption and increase their reliability of operation. Electromagnetic design of the beam focusing elements, for high frequency travelling wave tubes, is very critical. The magnitude and profile of the magnetic field need to match the optics requirement from beam dynamics studies. The rise of the field from cathode gun region to the uniform field region (RF section) is important as the desired transition from zero to peak axial field must occur over a short axial distance. Confined flow regime is an optimum choice to minimize beam scalloping but demands an axial magnetic field greater than 2 - 3 times the Brillouin flow field. This necessitates optimization in the magnet design achieve high magnetic field within given spatial constraints. Electromagnetic design and simulations were done using 3D Finite element method (FEM) analysis software. A permanent magnet based focusing lens for a miniature J-Band klystron has been designed and developed at Control Instrumentation Division, BARC. This paper presents the design, simulation studies, beam transmission and RF tests results for J Band klystron with permanent magnet focusing lens. (author)

43 PARTICLE ACCELERATORS↗
NASA NTRS1991

The three-point correlation function for Abell clusters - Observations and simulations

Results are reported of a 3D study tracing the three-point correlation function of Abell clusters and of a comparison of this with the biased cold dark matter (CDM) simulations of Park (1990). For the observations, the maximum likelihood fits are Z11 = 0.85 and Q111 = 0.1, in excellent agreement with the result of the 2D study of Toth et al. (1989). For Park's simulation, maximum likelihood fits of Q11 = 0.9 and Q111 = 0.0 are found, which is in excellent agreement with the observational result. It is concluded that the standard biased CDM gravitational instability model reproduces the observed form of the three-point correlation functions for Abell clusters remarkably well. The number of triples as a function of the sides of triangles for Abell clusters, and the number of triples as a function of the sides of triangles for clusters in Park's simulation are illustrated on graphs.

Gott, J. R., III↗
DOE OSTI2017

Coherent 3D nanostructure of γ-Al{sub 2}O{sub 3}: Simulation of whole X-ray powder diffraction pattern

The structure and nanostructure features of nanocrystalline γ-Al{sub 2}O{sub 3} obtained by dehydration of boehmite with anisotropic platelet-shaped particles were investigated. The original models of 3D coherent nanostructure of γ-Al{sub 2}O{sub 3} were constructed. The models of nanostructured γ-Al{sub 2}O{sub 3} particles were first confirmed by a direct simulation of powder X–Ray diffraction (XRD) patterns using the Debye Scattering Equation (DSE) with assistance of high-resolution transmission electron microscopy (HRTEM) study. The average crystal structure of γ-Al{sub 2}O{sub 3} was shown to be tetragonally distorted. The experimental results revealed that thin γ-Al{sub 2}O{sub 3} platelets were heterogeneous on a nanometer scale and nanometer-sized building blocks were separated by partially coherent interfaces. The XRD simulation results showed that a specific packing of the primary crystalline blocks in the nanostructured γ-Al{sub 2}O{sub 3} particles with formation of planar defects on (001), (100), and (101) planes nicely accounted for pronounced diffuse scattering, anisotropic peak broadening and peak shifts in the experimental XRD pattern. The identified planar defects in cation sublattice seem to be described as filling cation non-spinel sites in existing crystallographic models of γ-Al{sub 2}O{sub 3} structure. The overall findings provided an insight into the complex nanostructure, which is intrinsic to the metastable γ-Al{sub 2}O{sub 3} oxide. - Highlights: • Thin plate-like crystallites of γ-Al{sub 2}O{sub 3} were obtained. • Models of 3D coherent nanostructure of γ-Al{sub 2}O{sub 3} were constructed. • Models were verified by simulating XRD patterns using the Debye Scattering Equation. • Specific broadening of XRD peaks was explained in terms of planar defects. • Primary crystalline blocks in γ-Al{sub 2}O{sub 3} are separated by partially coherent interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Physics-based simulation of EM and SM in TSV-based 3D IC structures

Evolution of stresses in through-silicon-vias (TSVs) and in the TSV landing pad due to the stress migration (SM) and electromigration (EM) phenomena are considered. It is shown that an initial stress distribution existing in a TSV depends on its architecture and copper fill technology. We demonstrate that in the case of proper copper annealing the SM-induced redistribution of atoms results in uniform distributions of the hydrostatic stress and concentration of vacancies along each segment. In this case, applied EM stressing generates atom migration that is characterized by kinetics depending on the preexisting equilibrium concentration of vacancies. Stress-induced voiding in TSV is considered. EM induced voiding in TSV landing pad is analyzed in details.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

TH-C-12A-08: New Compact 10 MV S-Band Linear Accelerator: 3D Finite-Element Design and Monte Carlo Dose Simulations

Purpose: To design a new compact S-band linac waveguide capable of producing a 10 MV x-ray beam, while maintaining the length (27.5 cm) of current 6 MV waveguides. This will allow higher x-ray energies to be used in our linac-MRI systems with the same footprint. Methods: Finite element software COMSOL Multiphysics was used to design an accelerator cavity matching one published in an experiment breakdown study, to ensure that our modeled cavities do not exceed the threshold electric fields published. This cavity was used as the basis for designing an accelerator waveguide, where each cavity of the full waveguide was tuned to resonate at 2.997 GHz by adjusting the cavity diameter. The RF field solution within the waveguide was calculated, and together with an electron-gun phase space generated using Opera3D/SCALA, were input into electron tracking software PARMELA to compute the electron phase space striking the x-ray target. This target phase space was then used in BEAM Monte Carlo simulations to generate percent depth doses curves for this new linac, which were then used to re-optimize the waveguide geometry. Results: The shunt impedance, Q-factor, and peak-to-mean electric field ratio were matched to those published for the breakdown study to within 0.1% error. After tuning the full waveguide, the peak surface fields are calculated to be 207 MV/m, 13% below the breakdown threshold, and a d-max depth of 2.42 cm, a D10/20 value of 1.59, compared to 2.45 cm and 1.59, respectively, for the simulated Varian 10 MV linac and brehmsstrahlung production efficiency 20% lower than a simulated Varian 10 MV linac. Conclusion: This work demonstrates the design of a functional 27.5 cm waveguide producing 10 MV photons with characteristics similar to a Varian 10 MV linac.

07 ISOTOPE AND RADIATION SOURCES↗