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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 541 records · Page 30

SU-E-T-459: Dosimetric Consequences of Rotated Elliptical Proton Spots in Modeling In-Air Proton Fluence for Calculating Doses in Water of Proton Pencil Beams

Purpose: We present a study of dosimetric consequences on doses in water in modeling in-air proton fluence independently along principle axes for rotated elliptical spots. Methods: Phase-space parameters for modeling in-air fluence are the position sigma for the spatial distribution, the angle sigma for the angular distribution, and the correlation between position and angle distributions. Proton spots of the McLaren proton therapy system were measured at five locations near the isocenter for the energies of 180 MeV and 250 MeV. An elongated elliptical spot rotated with respect to the principle axes was observed for the 180 MeV, while a circular-like spot was observed for the 250 MeV. In the first approach, the phase-space parameters were derived in the principle axes without rotation. In the second approach, the phase space parameters were derived in the reference frame with axes rotated to coincide with the major axes of the elliptical spot. Monte-Carlo simulations with derived phase-space parameters using both approaches to tally doses in water were performed and analyzed. Results: For the rotated elliptical 180 MeV spots, the position sigmas were 3.6 mm and 3.2 mm in principle axes, but were 4.3 mm and 2.0 mm when the reference frame was rotated. Measured spots fitted poorly the uncorrelated 2D Gaussian, but the quality of fit was significantly improved after the reference frame was rotated. As a Result, phase space parameters in the rotated frame were more appropriate for modeling in-air proton fluence of 180 MeV protons. Considerable differences were observed in Monte Carlo simulated dose distributions in water with phase-space parameters obtained with the two approaches. Conclusion: For rotated elliptical proton spots, phase-space parameters obtained in the rotated reference frame are better for modeling in-air proton fluence, and can be introduced into treatment planning systems.

07 ISOTOPE AND RADIATION SOURCES↗

A Grand Canonical Monte Carlo simulation program for computing ion distributions around biomolecules in hard sphere solvents

The GIBS software program is a Grand Canonical Monte Carlo (GCMC) simulation program (written in C++) that can be used for 1) computing the excess chemical potential of ions and the mean activity coefficients of salts in homogeneous electrolyte solutions; and, 2) for computing the distribution of ions around fixed macromolecules such as, nucleic acids and proteins. The solvent can be represented as neutral hard spheres or as a dielectric continuum. The ions are represented as charged hard spheres that can interact via Coulomb, hard-sphere, or Lennard-Jones potentials. In addition to hard-sphere repulsions, the ions can also be made to interact with the solvent hard spheres via short-ranged attractive square-well potentials.

Source record↗

A Grand Canonical Monte Carlo simulation program for computing ion distributions around biomolecules in hard sphere solvents

The GIBS software program is a Grand Canonical Monte Carlo (GCMC) simulation program (written in C++) that can be used for 1) computing the excess chemical potential of ions and the mean activity coefficients of salts in homogeneous electrolyte solutions; and, 2) for computing the distribution of ions around fixed macromolecules such as, nucleic acids and proteins. The solvent can be represented as neutral hard spheres or as a dielectric continuum. The ions are represented as charged hard spheres that can interact via Coulomb, hard-sphere, or Lennard-Jones potentials. In addition to hard-sphere repulsions, the ions can also be made to interact with the solvent hard spheres via short-ranged attractive square-well potentials.

Source record↗

The ATLAS Workflow Management System Evolution in the LHC Run3 and towards the High-Luminosity LHC era

The ATLAS experiment has 18+ years of experience using workload management systems to deploy and develop workflows to process and to simulate data on the distributed computing infrastructure. Simulation, processing and analysis of LHC experiment data require the coordinated work of heterogeneous computing resources. In particular, the ATLAS experiment utilizes the resources of 250 computing centers worldwide, the power of supercomputing centres, and national, academic and commercial cloud computing resources. In this contribution, we present new techniques for cost-effectively improving efficiency introduced in workflow management system software. The evolution from a mesh framework to new types of computing facilities such as cloud and HPCs is described, as well as new types of production and analysis workflows.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

ELECTRON-BEAM-INDUCED RADIO EMISSION FROM ULTRACOOL DWARFS

We present the numerical simulations for an electron-beam-driven and loss-cone-driven electron-cyclotron maser (ECM) with different plasma parameters and different magnetic field strengths for a relatively small region and short timescale in an attempt to interpret the recent discovered intense radio emission from ultracool dwarfs. We find that a large amount of electromagnetic (EM) field energy can be effectively released from the beam-driven ECM, which rapidly heats the surrounding plasma. A rapidly developed high-energy tail of electrons in velocity space (resulting from the heating process of the ECM) may produce the radio continuum depending on the initial strength of the external magnetic field and the electron beam current. Both significant linear polarization and circular polarization of EM waves can be obtained from the simulations. The spectral energy distributions of the simulated radio waves show that harmonics may appear from 10 to 70{nu}{sub pe} ({nu}{sub pe} is the electron plasma frequency) in the non-relativistic case and from 10 to 600{nu}{sub pe} in the relativistic case, which makes it difficult to find the fundamental cyclotron frequency in the observed radio frequencies. A wide frequency band should therefore be covered by future radio observations.

79 ASTRONOMY AND ASTROPHYSICS↗

TEAM Project Review, Year 2

This report summarizes our research activities within the TEAM project between December 2020 and December 2021, funded by the ASCR Advanced Research in Quantum Computing program. During the reporting period the LLNL-MSU team has made progress on several fronts. An overarching goal of the team is to provide a comprehensive suite of software tools that can be used for the Characterize-Optimize-Compute loop needed to implement and execute algorithms on quantum devices. We are concurrently developing lightweight solvers that can be used on desktop computers to find optimal control pulses and to characterize small quantum systems (consisting of a few transmons and cavities). However, desktop computers are insufficient for simulating and characterizing larger quantum systems. We have therefore also developed parallel, distributed memory, simulators and optimization solvers, both for open and closed quantum systems. These parallel solvers have, for example, been used to study quantum optimal control for pure-state preparation, utilizing 1000’s of cores on a modern high-performance computing (HPC) platform.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Lithium-Ion Batteries with Safer Current Collectors

The US Department of Energy’s Oak Ridge National Laboratory and Soteria Battery Innovation Group collaborated to develop a metallized polymer film as a current collector for lithium-ion batteries and design slit patterns for electrodes to improve battery safety. The metallized polymer film serves as a fuse that will break under high temperature resulting from a short circuit. Consequently, the short circuit will be broken and the heat generated from the short circuit will be alleviated to avoid thermal runaway. The electrodes with slit patterns are expected to be broken into small segments upon mechanical impact, which can isolate the damaged electrodes from the rest. Thus, the heat generation associated with the mechanical impact will be reduced, along with the likelihood of thermal runaway. This effort aimed to improve lithium-ion battery safety by replacing traditional metal foils with metallized polymer films as current collector and introducing slit patterns to battery electrodes. The metallized polymer films were polyethylene terephthalate with a thin metal (aluminum for cathodes and copper for anodes) coating on both sides. Slit patterns with various geometries and dimensions were designed via simulation. Temperature distribution on cells with electrodes with and without slit patterns was also simulated via nemerical modeling. Electrodes on traditional metal foils and metallized polymer films were coated via a pilot-scale slot-die coater at the US Department of Energy Battery Manufacturing Facility at Oak Ridge National Laboratory. The electrodes were calendered to 35% porosity and punched out with and without slit patterns. Pouch cells were assembed with the electrodes inside a dry room for electrochemical and safety testing. Electrodes coated on metallized polymer films exhibited comparable electrochemical performance to their counterparts coated on traditional metal foils. They also showed improved safety in nail penetration and indentation tests.

25 ENERGY STORAGE↗

Uniform Beam Simulation Technique for Beam Scans and Machine Learning Studies at Fermilab

Fermilab's neutrino facilities, including NuMI and the upcoming LBNF, use proton beams to produce positively and negatively charged pions and kaons. Detailed simulations are necessary to study particle interactions and beam propagation. To efficiently analyze beam scan effects, we propose a technique to generate multiple simulation samples with high statistics. These samples can be used to develop beamline simulation based machine learning applications. In this technique, we generate a uniformly distributed single simulation data sample. We calculate Gaussian weights for each beam configurations and apply them to post-processing measurements. In this poster, we demonstrate the proposed simulation technique. This technique reduces simulation time and computing resources significantly.

Wickremasinghe, Athula↗

A Study of the Properties and Dynamics of the Disk of Satellites in a Milky-Way-like Galaxy System

The dynamics of the satellite systems of Milky-Way-like galaxies offer a useful means by which to study the galaxy formation process in the cosmological context. It has been suggested that the currently observed anisotropic distribution of the satellites in such galaxy systems is inconsistent with the concordance ΛCDM cosmology model on the galactic scale if the observed satellites are random samples of the dark matter (DM) sub-halos that are nearly isotropically distributed around the central galaxy. In this study, we present original high-resolution zoom-in studies of central galaxies and satellite systems based upon initial conditions for the DM distribution from the Aquarius simulations but with substantial high-resolution baryon physics added. We find that the galaxy most like the Milky Way in this study does indeed contain a disk of satellites (DOS). Although one galaxy DOS system does not answer the question of how common such disks are, it does allow the opportunity to explore the properties and dynamics of the DOS system. Our investigation centers on the spatial arrangement (distances, angles, etc.) of satellites in this Milky-Way-like galaxy system with a specific emphasis on identifying and analyzing the disk-like structure along with its dynamical and morphological properties. Among the conclusions from this study, we find that the satellites and DM sub-halos in the galaxy simulations are anisotropically distributed. The dynamical properties of the satellites, however, indicate that the direction of the angular momentum vector of the whole satellite system is different from the normal direction of the fitted DOS and from the normal direction of the velocity dispersion of the system. Hence, the fitted DOS appears to be comprised of infalling sub-halos and is not a rotationally supported system.

Zhao, Xinghai↗

Influence of Photospheric Magnetic Conditions on the Catastrophic Behaviors of Flux Ropes in Solar Active Regions

Since only the magnetic conditions at the photosphere can be routinely observed in current observations, it is of great significance to determine the influences of photospheric magnetic conditions on solar eruptive activities. Previous studies about catastrophe indicated that the magnetic system consisting of a flux rope in a partially open bipolar field is subject to catastrophe, but not if the bipolar field is completely closed under the same specified photospheric conditions. In order to investigate the influence of the photospheric magnetic conditions on the catastrophic behavior of this system, we expand upon the 2.5-dimensional ideal magnetohydrodynamic model in Cartesian coordinates to simulate the evolution of the equilibrium states of the system under different photospheric flux distributions. Our simulation results reveal that a catastrophe occurs only when the photospheric flux is not concentrated too much toward the polarity inversion line and the source regions of the bipolar field are not too weak; otherwise no catastrophe occurs. As a result, under certain photospheric conditions, a catastrophe could take place in a completely closed configuration, whereas it ceases to exist in a partially open configuration. This indicates that whether the background field is completely closed or partially open is not the only necessary condition for the existence of catastrophe, and that the photospheric conditions also play a crucial role in the catastrophic behavior of the flux rope system.

79 ASTRONOMY AND ASTROPHYSICS↗

Real-World Distribution System Modeling Framework for Transmission-and-Distribution Cosimulation: Preprint

This paper presents a modeling methodology for realistic distribution system simulation and analysis. The methodology involves three major approaches: utility model conversion, feeder load modeling, and feeder model validation. The feeder models obtained from the utility are converted to the format that is more flexible for analysis and algorithm development. The load profiles down to each node are modeled in detail using advanced metering infrastructure data and supervisory control and data acquisition (SCADA) system measured load data. Then the distribution system models are validated by comparing the simulated feeder-head voltage results and SCADA measured voltage data. To better understand the bulk system operations and the interactions between transmission and distribution systems, the modeled realistic distribution systems are integrated into a transmission-and-distribution cosimulation framework to perform the system simulation from the bulk system down to each node in the distribution system.

load modeling↗

Application of parallel distributed Lagrange multiplier technique to simulate coupled Fluid-Granular flows in pipes with varying Cross-Sectional area

Fluid-granular flows are common phenomena in nature and industry. Here, an efficient computational technique based on the distributed Lagrange multiplier method is utilized to simulate complex fluid-granular flows. Each particle is explicitly resolved on an Eulerian grid as a separate domain, using solid volume fractions. The fluid equations are solved through the entire computational domain, however, Lagrange multiplier constrains are applied inside the particle domain such that the fluid within any volume associated with a solid particle moves as an incompressible rigid body. The particle–particle interactions are implemented using explicit force-displacement interactions for frictional inelastic particles similar to the DEM method with some modifications using the volume of an overlapping region as an input to the contact forces. Here, a parallel implementation of the method is based on the SAMRAI (Structured Adaptive Mesh Refinement Application Infrastructure) library.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

In-situ fabrication of graded material with the application of a horizontal magnetic field during directional solidification

Highlights: • The horizontal magnetic field caused the migration of primary grains and the formation of graded material. • TEMF play a major effect on the formation of graded material. • The magnitude of TEMF increases with the increase of magnetic field intensity. • This work initiates a new method to prepare the “graded material” via an applied horizontal magnetic field. - Abstract: The present paper proposes a method of graded materials preparation under a low horizontal magnetic field during directional solidification. The external horizontal magnetic field was applied to the mushy zone of the directionally solidified Al-10 wt% Cu and Al-18 wt% Si samples, which was perpendicular to the growth direction. Experimental results demonstrate that the applied horizontal magnetic field produces a gradient size distribution of the primary α(Al) grains in Al-10 wt% Cu alloys and a gradient fraction distribution of primary Si particles in Al-18 wt% Si alloys. 3D numerical simulations indicate that the formation of graded structure should be attributed to the migration of primary phase driven by the thermoelectric magnetic force (TEMF). The formation of segregation channel should be attributed to the TEM convection (TEMC) in the mushy zone. Further, in situ synchrotron X-ray radiography observations of the initial transient of directional solidification show that the primary α(Al) phases were migrated approximately along the direction perpendicular to the magnetic field. These results suggest that the TEM effects can greatly change the growth of primary grains and the solidification structure, and the application of an external horizontal magnetic field would be beneficial to fabricate the graded material during directional solidification.

36 MATERIALS SCIENCE↗

On the progenitors of local group novae. II. The red giant nova rate of M31

In our preceding paper, Liverpool Telescope data of M31 novae in eruption were used to facilitate a search for their progenitor systems within archival Hubble Space Telescope data, with the aim of detecting systems with red giant secondaries (RG-novae) or luminous accretion disks. From an input catalog of 38 spectroscopically confirmed novae with archival quiescent observations, likely progenitors were recovered for 11 systems. Here we present the results of the subsequent statistical analysis of the original survey, including possible biases associated with the survey and the M31 nova population in general. As part of this analysis, we examine the distribution of optical decline times (t{sub 2}) of M31 novae, how the likely bulge and disk nova distributions compare, and how the M31 t{sub 2} distribution compares to that of the Milky Way. Using a detailed Monte Carlo simulation, we determine that 30{sub −10}{sup +13}% of all M31 nova eruptions can be attributed to RG-nova systems, and at the 99% confidence level, >10% of all M31 novae are RG-novae. This is the first estimate of a RG-nova rate of an entire galaxy. Our results also imply that RG-novae in M31 are more likely to be associated with the M31 disk population than the bulge; indeed, the results are consistent with all RG-novae residing in the disk. If this result is confirmed in other galaxies, it suggests that any Type Ia supernovae that originate from RG-nova systems are more likely to be associated with younger populations and may be rare in old stellar populations, such as early-type galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

Real-time simulator and controller of power system using distributed data streaming server

Systems and methods for simulating and controlling a power system in real time, using a controller, are provided. The controller includes a simulation layer to simulate an operation of the power system, a disturbance generation layer to provide data to the simulation layer to disturb the simulated operation of the power system, an application layer to display the simulated operation of the power system and generate a control signal to control, based on the simulated operation of the power system, at least one element of the power system, and a distributed data streaming server (D2S2) to allow interoperability among the simulation layer, the disturbance layer, and the application layer.

Li, Fangxing↗

Standards in Modeling and Simulation: The Next Ten Years MODSIM World Paper 2010

The world has moved on since the introduction of the Distributed Interactive Simulation (DIS) standard in the early 1980s. The cold-war maybe over but there is still a requirement to train for and analyze the next generation of threats that face the free world. With the emergence of new and more powerful computer technology and techniques means that modeling and simulation (M&S) has become an important and growing, part in satisfying this requirement. As an industry grows, the benefits from standardization within that industry grow with it. For example, it is difficult to imagine what the USA would be like without the 110 volts standard for domestic electricity supply. This paper contains an overview of the outcomes from a recent workshop to investigate the possible future of M&S standards within the federal government.

Collins, Andrew J.↗

Regenerative Markov Chain Monte Carlo for any distribution.

While Markov chain Monte Carlo (MCMC) methods are frequently used for difficult calculations in a wide range of scientific disciplines, they suffer from a serious limitation: their samples are not independent and identically distributed. Consequently, estimates of expectations are biased if the initial value of the chain is not drawn from the target distribution. Regenerative simulation provides an elegant solution to this problem. In this article, we propose a simple regenerative MCMC algorithm to generate variates for any distribution

99 GENERAL AND MISCELLANEOUS↗

Simulation of electrostatic turbulence in the plasma sheet boundary layer with electron currents and bean-shaped ion beams

Plasma data from ISEE-1 show the presence of electron currents as well as energetic ion beams in the plasma sheet boundary layer. Broadband electrostatic noise and low-frequency electromagnetic bursts are detected in the plasma sheet boundary layer, especially in the presence of strong ion flows, currents, and steep spacial gradients in the fluxes of few-keV electrons and ions. Particle simulations have been performed to investigate electrostatic turbulence driven by a cold electron beam and/or ion beams with a bean-shaped velocity distribution. The simulation results show that the counterstreaming ion beams as well as the counterstreaming of the cold electron beam and the ion beam excite ion acoustic waves with a given Doppler-shifted real frequency. However, the effect of the bean-shaped ion velocity distributions reduces the growth rates of ion acoustic instability. The simulation results also show that the slowing down of the ion bean is larger at the larger perpendicular velocity. The wave spectra of the electric fields at some points of the simulations show turbulence generated by growing waves.

Nishikawa, K.-I.↗