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At least 307 records · Page 17

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DOE OSTI2014

Pathway structure determination in complex stochastic networks with non-exponential dwell times

Analysis of complex networks has been widely used as a powerful tool for investigating various physical, chemical, and biological processes. To understand the emergent properties of these complex systems, one of the most basic issues is to determine the structure and topology of the underlying networks. Recently, a new theoretical approach based on first-passage analysis has been developed for investigating the relationship between structure and dynamic properties for network systems with exponential dwell time distributions. However, many real phenomena involve transitions with non-exponential waiting times. We extend the first-passage method to uncover the structure of distinct pathways in complex networks with non-exponential dwell time distributions. It is found that the analysis of early time dynamics provides explicit information on the length of the pathways associated to their dynamic properties. It reveals a universal relationship that we have condensed in one general equation, which relates the number of intermediate states on the shortest path to the early time behavior of the first-passage distributions. Our theoretical predictions are confirmed by extensive Monte Carlo simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

FREQUENCY MODULATION OF DIRECTLY IMAGED EXOPLANETS: GEOMETRIC EFFECT AS A PROBE OF PLANETARY OBLIQUITY

We consider the time–frequency analysis of a scattered light curve of a directly imaged exoplanet. We show that the geometric effect due to planetary obliquity and orbital inclination induce the frequency modulation of the apparent diurnal periodicity. We construct a model of the frequency modulation and compare it with the instantaneous frequency extracted from the pseudo-Wigner distribution of simulated light curves of a cloudless Earth. The model provides good agreement with the simulated modulation factor, even for the light curve with Gaussian noise comparable to the signal. Notably, the shape of the instantaneous frequency is sensitive to the difference between the prograde, retrograde, and pole-on spin rotations. While our technique requires the albedo map to be static, it does not need to solve the albedo map of the planet. The time–frequency analysis is complementary to other methods which utilize the amplitude modulation. This paper demonstrates the importance of the frequency domain of the photometric variability for the characterization of directly imaged exoplanets in future research.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

THE INTRINSIC EDDINGTON RATIO DISTRIBUTION OF ACTIVE GALACTIC NUCLEI IN STAR-FORMING GALAXIES FROM THE SLOAN DIGITAL SKY SURVEY

An important question in extragalactic astronomy concerns the distribution of black hole accretion rates of active galactic nuclei (AGNs). Based on observations at X-ray wavelengths, the observed Eddington ratio distribution appears as a power law, while optical studies have often yielded a lognormal distribution. There is increasing evidence that these observed discrepancies may be due to contamination by star formation and other selection effects. Using a sample of galaxies from the Sloan Digital Sky Survey Data Release 7, we test whether or not an intrinsic Eddington ratio distribution that takes the form of a Schechter function is consistent with previous work suggesting that young galaxies in optical surveys have an observed lognormal Eddington ratio distribution. We simulate the optical emission line properties of a population of galaxies and AGNs using a broad, instantaneous luminosity distribution described by a Schechter function near the Eddington limit. This simulated AGN population is then compared to observed galaxies via their positions on an emission line excitation diagram and Eddington ratio distributions. We present an improved method for extracting the AGN distribution using BPT diagnostics that allows us to probe over one order of magnitude lower in Eddington ratio, counteracting the effects of dilution by star formation. We conclude that for optically selected AGNs in young galaxies, the intrinsic Eddington ratio distribution is consistent with a possibly universal, broad power law with an exponential cutoff, as this distribution is observed in old, optically selected galaxies and X-rays.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2011

IMPROVED MODELING OF THE MASS DISTRIBUTION OF DISK GALAXIES BY THE EINASTO HALO MODEL

Analysis of the rotation curves (RCs) of spiral galaxies provides an efficient diagnostic for studying the properties of dark matter halos and their relations with baryonic material. Since the cored pseudo-isothermal (Iso) model usually provides a better description of observed RCs than does the cuspy Navarro-Frenk-White (NFW) model, there have been concerns that the {Lambda}CDM primordial density fluctuation spectrum may not be the correct one. We have modeled the RCs of galaxies from The H I Nearby Galaxy Survey (THINGS) with the Einasto halo model, which has emerged as the best-fitting model of the halos arising in dissipationless cosmological N-body simulations. We find that the RCs are significantly better fit with the Einasto halo than with either Iso or NFW halo models. In our best-fit Einasto models, the radius of density slope -2 and the density at this radius are highly correlated. The Einasto index, which controls the overall shape of the density profile, is near unity on average for intermediate and low mass halos. This is not in agreement with the predictions from {Lambda}CDM simulations. The indices of the most massive halos are in rough agreement with those cosmological simulations and appear correlated with the halo virial mass. We find that a typical Einasto density profile declines more strongly in its outermost parts than any of the Iso or NFW models whereas it is relatively shallow in its innermost regions. The core nature of those regions of halos thus extends the cusp-core controversy found for the NFW model with low surface density galaxies to the Einasto halo with more massive galaxies like those of THINGS. The Einasto concentrations decrease as a function of halo mass, in agreement with trends seen in numerical simulations. However, they are generally smaller than values expected for simulated Einasto halos. We thus find that, so far, the Einasto halo model provides the best match to the observed RCs and can therefore be considered as a new standard model for dark matter halos.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2026

Effect of macroscopic surface defects on dynamic damage: An experimental and numerical study

This study examines the impact of macroscopic surface defects on the dynamic ductile damage behavior of polycrystalline metals using plate-impact experiments. Defects of various shapes (flat, round, and point) were manufactured on the free or impact surfaces of annealed copper specimens. The experiments were diagnosed with photon Doppler velocimetry measurements and soft recovery techniques. The experimental results revealed that defect shape and location significantly affect velocity–time profiles and void distribution. In order to understand the dynamics of shock propagation and corresponding ductile damage evolution within the target specimens, the impact experiments were modeled with a calibrated Tepla model, a dynamic ductile damage model for polycrystalline metals [Nguyen et al., Int. J. Solids Struct. 329, 113833 (2026)]. Overall, our resulting simulated velocity showed good agreement with measured velocity, and our simulated porosity distributions qualitatively matched experimental data. Based on our simulation results, defects on the free surface were found to distort rarefaction waves and therefore the corresponding spall planes. On the other hand, defects on the impact surface generated a delayed shock when the flyer plate and the defected target area were in contact, leading to distortion of the spall plane. The distortion of the spall plane resulted in a non-uniform distribution of voids within the defected specimens. Lastly, we examined the role of local work hardening due to the defect manufacturing process on the velocity and porosity distribution, using Tepla simulations with a simplified representation of local hardening. This investigation highlights the importance of defect geometry, location, and local hardening associated with defect generation in dynamic ductile damage processes.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Toward a Cyber Resilient and Secure Microgrid Using Software-Defined Networking

To build a resilient and secure microgrid in the face of growing cyber-attacks and cyber-mistakes, we present a software-defined networking (SDN)-based communication network architecture for microgrid operations. We leverage the global visibility, direct networking controllability, and programmability offered by SDN to investigate multiple security applications, including self-healing communication network management, real-time and uncertainty-aware communication network verification, and specification-based intrusion detection. We also expand a novel cyber-physical testing and evaluation platform that combines a power distribution system simulator (for microgrid energy services) and an SDN emulator with a distributed control environment (for microgrid communications). Experimental results demonstrate that the SDN-based communication architecture and applications can significantly enhance the resilience and security of microgrid operations against the realization of various cyber threats.

critical infrastructure protection↗

DOE OSTI2012

Probabilistic methods in a study of trip setpoints

Most early vintage Boiling Water Reactors have a high head and high capacity High Pressure Coolant Injection (HPCI) pump to keep the core covered following a loss of coolant accident (LOCA). However, the protection afforded by the HPCI pump for mitigating a LOCA introduces the potential that a spurious start of the HPCI pump could oversupply the reactor vessel and lead to an automatic trip of the main turbine due to high water level. A turbine trip and associated increase in moderator density could challenge the bases of fuel integrity operating limits. To prevent turbine trip during spurious operation of the HPCI pump, the reactor protection system includes instrumentation and logic to sense high water level and automatically trip the HPCI pump prior to reaching the turbine trip setpoint. This paper describes an analysis that was performed to determine if existing reactor vessel water level trip instrumentation, logic and setpoints result in a high probability that the HPCI pump will trip prior to actuation of the turbine trip. Using nominal values for the initial water level and for the HPCI pump and turbine trip setpoints, and using the probability distribution functions for measurement uncertainty in these setpoints, a Monte Carlo simulation was employed to determine probabilities of successfully tripping the HPCI pump prior to tripping of the turbine. The results of the analysis established that the existing setpoints, instrumentation and logic would be expected to reliably prevent a trip of the main turbine. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2014

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↗

DOE OSTI2017

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↗

DOE OSTI2017

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

Source record↗

DOE OSTI2024

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↗

DOE OSTI2012

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↗

DOE OSTI2021

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↗

DOE OSTI2022

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↗

DOE OSTI2023

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↗

DOE OSTI2023

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↗

DOE OSTI2017

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↗

DOE OSTI2020

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↗