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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

A review on ab initio studies of static, transport, and optical properties of polystyrene under extreme conditions for inertial confinement fusion applications

Polystyrene (CH), commonly known as “plastic,” has been one of the widely used ablator materials for capsule designs in inertial confinement fusion (ICF). Knowing its precise properties under high-energy-density conditions is crucial to understanding and designing ICF implosions through radiation–hydrodynamic simulations. For this purpose, systematic ab initio studies on the static, transport, and optical properties of CH, in a wide range of density and temperature conditions (ρ= 0.1 to 100 g/cm 3 and T = 10 3 to 4 × 10 6 K), have been conducted using quantum molecular dynamics (QMD) simulations based on the density functional theory. We have built several wide-ranging, self-consistent material-properties tables for CH, such as the first-principles equation of state (FPEOS), the QMD-based thermal conductivity (Κ QMD ) and ionization, and the first-principles opacity table (FPOT). This paper is devoted to providing a review on (1) what results were obtained from these systematic ab initio studies; (2) how these self-consistent results were compared with both traditional plasma-physics models and available experiments; and (3) how these first-principles–based properties of polystyrene affect the predictions of ICF target performance, through both 1-D and 2-D radiation–hydrodynamic simulations. In the warm dense regime, our ab initio results, which can significantly differ from predictions of traditional plasma-physics models, compared favorably with experiments. When incorporated into hydrocodes for ICF simulations, these first-principles material properties of CH have produced significant differences over traditional models in predicting 1-D/2-D target performance of ICF implosions on OMEGA and direct-drive–ignition designs for the National Ignition Facility. Lastly, we will discuss the implications of these studies on the current small-margin ICF target designs using a CH ablator.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Efficient approach to kinetic simulation in the inner magnetically insulated transmission line on Z

This project explores the idea of performing kinetic numerical simulations in the Z inner magnetically insulated transmission line (inner MITL) by reduced physics models such as a guiding center drift kinetic approximation for particles and electrostatic and magnetostatic approximation for the fields. The basic problem explored herein is the generation, formation, and evolution of vortices by electron space charge limited (SCL) emission. The results indicate that for relevant to Z values of peak current and pulse length, these approximations are excellent, while also providing tens to hundreds of times reduction in the computational load. The benefits could be enormous: Implementation of these reduced physics models in present particle-in-cell (PIC) codes could enable them to be routinely used for experimental design while still capturing essential non-thermal (kinetic) physics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

THE EFFECT OF UV/SOFT X-RAY EXCESS EMISSION ON THE WARM ABSORBER PROPERTIES OF ACTIVE GALACTIC NUCLEI—A CASE STUDY OF IRAS 13349+2438

The ultraviolet (UV) to X-ray continuum of active galactic nuclei (AGNs) is important for maintaining the ionization and thermal balance of the warm absorbers (WAs). However, the spectra in the sensitive energy range ∼13.6-300 eV are unobservable due to Galactic extinction. Moreover, many AGNs show soft X-ray excess emission of varying strength in the 0.1-2 keV band, whose origin is still highly debated. This soft excess connects to the UV bump in the unobserved region of 13.6-300 eV. Here, we investigate the effect of the assumed physical model for the soft excess on the flux of the unobserved part of the spectrum and its effect on the WA properties. We perform a case study using XMM-Newton observations of the bright Seyfert 1 galaxy IRAS 13349+2438 with WA features. Two different physical models for the soft excess (blurred Compton reflection from an ionized disk and optically thick thermal Comptonization of the disk photons) predict different fluxes in the unobserved energy range. However, the current X-ray data quality does not allow us to distinguish between them using derived WA parameters. This, in turn, implies that it is difficult to determine the origin of the soft excess emission using the WA features.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Modern chemical graph theory

Abstract Graph theory has a long history in chemistry. Yet as the breadth and variety of chemical data is rapidly changing, so too do graph encoding methods and analyses that yield qualitative and quantitative insights. Using illustrative cases within a basic mathematical framework, we showcase modern chemical graph theory's utility in Chemists' analysis and model development toolkit. The encoding of both experimental and simulation data is discussed at various levels of granularity of information. This is followed by a discussion of the two major classes of graph theoretical analyses: identifying connectivity patterns and partitioning methods. Measures, metrics, descriptors, and topological indices are then introduced with an emphasis upon enhancing interpretability and incorporation into physical models. Challenging data cases are described that include strategies for studying time dependence. Throughout, we incorporate recent advancements in computer science and applied mathematics that are propelling chemical graph theory into new domains of chemical study. This article is categorized under: Molecular and Statistical Mechanics > Molecular Dynamics and Monte‐Carlo Methods Structure and Mechanism > Computational Materials Science Structure and Mechanism > Molecular Structures

Leite, Leonardo S. G.↗
DOE OSTI2026

Hybrid Oscillator-Qubit Quantum Processors: Instruction Set Architectures, Abstract Machine Models, and Applications

This tutorial offers a pedagogical guide to hybrid quantum processors that integrate discrete-variable (DV) qubits and continuous-variable (CV) oscillators. Aimed at computer scientists, engineers, and physicists, it provides an overview of the experimental, algorithmic, and architectural aspects of this novel and rapidly developing hardware model. Experimental realizations of this model include superconducting, trapped-ion, and neutral-atom platforms. By combining DV and CV components, hybrid oscillator-qubit processors enable a powerful new paradigm that offers complementary strengths for quantum control, error correction, computation, and simulation. Working toward the goal of a full-stack system connecting applications to CV-DV hardware, we define and formulate abstract machine models and instruction set architectures. These essential abstractions enable codesign of hardware and software, and resource estimation for exploring the potential of current and future hardware for computational and simulation tasks. Using these abstractions, we present both new and existing examples that illustrate the benefits of hybrid CV-DV processors relative to traditional DV-only hardware in computation as well as quantum simulation of physical models. Examples include algorithms for transferring states between DV and CV systems, performing the quantum Fourier transform, and simulation of lattice gauge theories. Relative to qubit-only hardware, the bosonic degrees of freedom natively available in hybrid architectures can substantially reduce the circuit complexity of simulations for physical models containing bosons. A key technique is the extension of quantum signal processing ideas to CV-DV systems. This work is intended to serve as a timely and comprehensive guide to this relatively unexplored yet promising approach to quantum computation and to provide a road map to guide future development.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Approximate Bayesian Model Inversion for PDEs with Heterogeneous and State-Dependent Coefficients

We present two approximate Bayesian inference methods for parameter estimation in partial differential equation (PDE) models with space-dependent and state-dependent parameters. We demonstrate that these methods provide accurate and cost-effective alternatives to Markov Chain Monte Carlo simulation. We assume a parameterized Gaussian prior on the unknown functions, and approximate the posterior density by a parameterized multivariate Gaussian density. The parameters of the prior and posterior are estimated from sparse observations of the PDE model's states and the unknown functions themselves by maximizing the evidence lower bound (ELBO), a lower bound on the log marginal likelihood of the observations. The first method, Laplace-EM, employs the expectation maximization algorithm to maximize the ELBO, with a Laplace approximation of the posterior on the E-step, and minimization of a Kullback-Leibler divergence on the M-step. The second method, DSVI-EB, employs the doubly stochastic variational inference (DSVI) algorithm, in which the ELBO is maximized via gradient-based stochastic optimization, with nosiy gradients computed via simple Monte Carlo sampling and Gaussian backpropagation. We apply these methods to identifying diffusion coefficients in linear and nonlinear diffusion equations, and we find that both methods provide accurate estimates of posterior densities and the hyperparameters of Gaussian priors. While the Laplace-EM method is more accurate, it requires computing Hessians of the physics model. The DSVI-EB method is found to be less accurate but only requires gradients of the physics model.

approximate Bayesian inference, model inversion, v↗
DOE OSTI2016

A case for radio galaxies as the sources of IceCube's astrophysical neutrino flux

We present an argument that radio galaxies (active galaxies with mis-aligned jets) are likely to be the primary sources of the high-energy astrophysical neutrinos observed by IceCube. In particular, if the gamma-ray emission observed from radio galaxies is generated through the interactions of cosmic-ray protons with gas, these interactions can also produce a population of neutrinos with a flux and spectral shape similar to that measured by IceCube. We present a simple physical model in which high-energy cosmic rays are confined within the volumes of radio galaxies, where they interact with gas to generate the observed diffuse fluxes of neutrinos and gamma rays. In addition to simultaneously accounting for the observations of Fermi and IceCube, radio galaxies in this model also represent an attractive class of sources for the highest energy cosmic rays.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1984

Maximization of Growth Rates During Czochralski Pulling

It was suggested from theory(1-4) that silicon can be grown from the melt at rates far exceeding the current state of the art. Previous theoretical and experimental investigations which predict maximum rates of pulling during Czochralski growth are reviewed. Several experimental methods are proposed to modify the temperature distribution in a growing crystal to achieve higher rates of pulling. A physical model of a Czochralski crystal of germanium in contact with its melt was used to quantitatively determine, by direct measurement of the axial temperature distribution in the solid, the increase in axial temperature gradients effected by an inverted conical heat reflector located above the melt and coaxially about the physical model. Preliminary results indicate that this is an effective method of increasing the thermal resistance between the hot melt and crucible wall and a growing crystal. Under these conditions the enhancement of the interfacial temperature gradients permit a commensurate increase in the rate of crystal pulling.

Wargo, M. J.↗
NASA NTRSDate not supplied

Multidisciplinary Design Optimization of a Transonic Truss-Braced Wing using Physics-Based Models

Economic and environmental forces have placed pressure on the aviation industry to produce future aircraft designs with substantial improvements over those flying today. In order to meet these ambitious goals, new concepts such as the Transonic Truss-Braced Wing (TTBW) are being considered which diverge from the traditional tube-and-wing design. While this concept offers potential performance benefits over its traditional counterpart, it also features more coupling between various physics disciplines that must be considered during the design of the concept. This unique challenge provides a ripe opportunity for the application of multidisciplinary design optimization tool sets. The final work will couple together the mission analysis capability of Aviary with OpenAeroStruct for aerodynamic analysis and TACS for structural analysis. Using these tools we will preform a design optimization on the TTBW concept minimizing design fuel burn. The optimization will include design variables for mission trajectory, wing geometry, and structural sizing variables.

mbsae↗
DOE OSTI2019

Modelling baryonic physics in future weak lensing surveys

Modifications of the matter power spectrum due to baryonic physics are one of the major theoretical uncertainties in cosmological weak lensing measurements. Developing robust mitigation schemes for this source of systematic uncertainty increases the robustness of cosmological constraints, and may increase their precision if they enable the use of information from smaller scales. Here we explore the performance of two mitigation schemes for baryonic effects in weak lensing cosmic shear: the principal component analysis (PCA) method and the halo-model approach in hmcode. We construct mock tomographic shear power spectra from four hydrodynamical simulations, and run simulated likelihood analyses with cosmolike assuming LSST-like survey statistics. With an angular scale cut of ℓmax < 2000, both methods successfully remove the biases in cosmological parameters due to the various baryonic physics scenarios, with the PCA method causing less degradation in the parameter constraints than hmcode. For a more aggressive ℓmax = 5000, the PCA method performs well for all but one baryonic physics scenario, requiring additional training simulations to account for the extreme baryonic physics scenario of Illustris; hmcode exhibits tensions in the 2D posterior distributions of cosmological parameters due to lack of freedom in describing the power spectrum for $k \gt 10\ h^{-1}\, \mathrm{Mpc}$. We investigate variants of the PCA method and improve the bias mitigation through PCA by accounting for the noise properties in the data via Cholesky decomposition of the covariance matrix. Our improved PCA method allows us to retain more statistical constraining power while effectively mitigating baryonic uncertainties even for a broad range of baryonic physics scenarios.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Halo-independent tests of dark matter direct detection signals: local DM density, LHC, and thermal freeze-out

From an assumed signal in a Dark Matter (DM) direct detection experiment a lower bound on the product of the DM-nucleon scattering cross section and the local DM density is derived, which is independent of the local DM velocity distribution. This can be combined with astrophysical determinations of the local DM density. Within a given particle physics model the bound also allows a robust comparison of a direct detection signal with limits from the LHC. Furthermore, the bound can be used to formulate a condition which has to be fulfilled if the particle responsible for the direct detection signal is a thermal relic, regardless of whether it constitutes all DM or only part of it. We illustrate the arguments by adopting a simplified DM model with a Z{sup ′} mediator and assuming a signal in a future xenon direct detection experiment.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Using onset times from frequent geophysical surveys to understand reservoir fluid flow and to estimate flow properties

Seismic characterization of flow properties is a difficult prospect, due to the indirect relationship between permeability and seismic velocity and attenuation. At best, seismic time-lapse changes can detect the effects of saturation and pressure changes in a reservoir due to fluid flow. Even in this case, the interpretation of the seismic observation in terms of the state of the reservoir depends intimately on the properties of the rock physics model, which are usually poorly known. The onset time, the calendar time of geophysical changes, provides an alternative datum for characterizing properties such as reservoir permeability. The main advantage of an onset time is that it is sensitive to the flow properties of the reservoir yet insensitive to the details of the rock physics model. Two examples of the utility of onset times are discussed: The use of travel time shifts induced by the injection of carbon dioxide between two wells, and the time-lapse time shifts for elastic waves propagating through a reservoir undergoing enhanced oil recovery. In both examples, the onset times are mapped into permeability estimates using a trajectory-based approach akin to seismic tomography.

58 GEOSCIENCES↗
NASA NTRS1999

Study of Magnetic Damping Effect on Convection and Solidification Under G-Jitter Conditions

As shown by NASA resources dedicated to measuring residual gravity (SAMS and OARE systems), g-jitter is a critical issue affecting space experiments on solidification processing of materials. This study aims to provide, through extensive numerical simulations and ground based experiments, an assessment of the use of magnetic fields in combination with microgravity to reduce the g-jitter induced convective flows in space processing systems. We have so far completed asymptotic analyses based on the analytical solutions for g-jitter driven flow and magnetic field damping effects for a simple one-dimensional parallel plate configuration, and developed both 2-D and 3-D numerical models for g-jitter driven flows in simple solidification systems with and without presence of an applied magnetic field. Numerical models have been checked with the analytical solutions and have been applied to simulate the convective flows and mass transfer using both synthetic g-jitter functions and the g-jitter data taken from space flight. Some useful findings have been obtained from the analyses and the modeling results. Some key points may be summarized as follows: (1) the amplitude of the oscillating velocity decreases at a rate inversely proportional to the g-jitter frequency and with an increase in the applied magnetic field; (2) the induced flow approximately oscillates at the same frequency as the affecting g-jitter, but out of a phase angle; (3) the phase angle is a complicated function of geometry, applied magnetic field, temperature gradient and frequency; (4) g-jitter driven flows exhibit a complex fluid flow pattern evolving in time; (5) the damping effect is more effective for low frequency flows; and (6) the applied magnetic field helps to reduce the variation of solutal distribution along the solid-liquid interface. Work in progress includes numerical simulations and ground-based measurements. Both 2-D and 3-D numerical simulations are being continued to obtain further information on g-jitter driven flows and magnetic field effects. A physical model for ground-based measurements is completed and some measurements of the oscillating convection are being taken on the physical model. The comparison of the measurements with numerical simulations is in progress. Additional work planned in the project will also involve extending the 2-D numerical model to include the solidification phenomena with the presence of both g-jitter and magnetic fields.

Li, Ben Q.↗
NASA NTRS1999

Rendering Three-Dimensional Solar Coronal Structures of Active Region 8227

Coronal X-ray and EUV synthesized images are constructed of Active Region 8227 (May-June 1996) and are compared with Yohkoh/SXT, SOHO/EIT, and TRACE observations. Using the rendering technique of Gary (1997) and Alexander, Gary, and Thompson (1998), specific geometric and physical models are used to integrated the plasma emission along the line of sight to obtain a rendered image. The specific instrumental profiles are convolved in the integration process as well as specific heating functions. We analyze coronal X-ray and EUV structures by constructing synthesized image and comparison with observations provide test of specific physical models. We investigate how different pressure distributions within the active region loop system affect the emission characteristics and compare the various results with coronal observations. We investigate how the different heating functions in the active region are reflected in the effect of overall structure of the region. Specific heating rates are tested.

Gary, G. A.↗
DOE OSTI2016

Critical phenomena at a first-order phase transition in a lattice of glow lamps: Experimental findings and analogy to neural activity

Networks of non-linear electronic oscillators have shown potential as physical models of neural dynamics. However, two properties of brain activity, namely, criticality and metastability, remain under-investigated with this approach. Here, we present a simple circuit that exhibits both phenomena. The apparatus consists of a two-dimensional square lattice of capacitively coupled glow (neon) lamps. The dynamics of lamp breakdown (flash) events are controlled by a DC voltage globally connected to all nodes via fixed resistors. Depending on this parameter, two phases having distinct event rate and degree of spatiotemporal order are observed. The transition between them is hysteretic, thus a first-order one, and it is possible to enter a metastability region, wherein, approaching a spinodal point, critical phenomena emerge. Avalanches of events occur according to power-law distributions having exponents ≈3/2 for size and ≈2 for duration, and fractal structure is evident as power-law scaling of the Fano factor. These critical exponents overlap observations in biological neural networks; hence, this circuit may have value as building block to realize corresponding physical models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Physics based model for online fault detection in autonomous cryogenic loading system

We report the progress in the development of the chilldown model for a rapid cryogenic loading system developed at NASA-Kennedy Space Center. The nontrivial characteristic feature of the analyzed chilldown regime is its active control by dump valves. The two-phase flow model of the chilldown is approximated as one-dimensional homogeneous fluid flow with no slip condition for the interphase velocity. The model is built using commercial SINDA/FLUINT software. The results of numerical predictions are in good agreement with the experimental time traces. The obtained results pave the way to the application of the SINDA/FLUINT model as a verification tool for the design and algorithm development required for autonomous loading operation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

SAM Theory Manual

The System Analysis Module (SAM) is an advanced and modern system analysis tool under development at Argonne National Laboratory for advanced non-LWR reactor safety analysis. It aims to provide fast-running, modest-fidelity, whole-plant transient analyses capabilities, which are essential for fast turnaround design scoping and engineering analyses of advanced reactor concepts. While SAM is being developed as a system-level modeling and simulation tool, advanced modeling techniques being implemented include a reduced-order three-dimensional module, pseudo 3-D conjugate heat transfer modeling in reactor core, flexible and multi-scale modeling of heat transfer between fluid and structures, in addition to the advances in software environments and design, and numerical methods. SAM aims to be a generic system-level safety analysis tool for advanced non-LWRs, including Liquid-Metal-cooled fast Reactors (LMR), Molten Salt Reactors (MSR), Fluoride-salt-cooled High- temperature Reactors (FHR), and High-Temperature Gas-cooled Reactors (HTGR). SAM takes ad- vantage of advances in physical modeling, numerical methods, and software engineering to enhance its user experience and usability. It utilizes an object-oriented computational framework (MOOSE), and its underlying meshing and finite-element library and linear and non-linear solvers, to leverage the modern advanced software environments and numerical methods. This document provides the theoretical and technical basis of the code to help users understand the underlying physical models (such as governing equations, closure models, and component models), system modeling approaches, numerical discretization and solution methods, and the overall capabilities in SAM. As new code capabilities and features are added, the SAM Theory Manual will be updated periodically to keep it consistent with the state of the development.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

SAM Theory Manual

The System Analysis Module (SAM) is an advanced and modern system analysis tool under development at Argonne National Laboratory for advanced non-LWR reactor safety analysis. It aims to provide fast-running, modest-fidelity, whole-plant transient analyses capabilities, which are essential for fast turnaround design scoping and engineering analyses of advanced reactor concepts. While SAM is being developed as a system-level modeling and simulation tool, advanced modeling techniques being implemented include a reduced-order three-dimensional module, pseudo 3-D conjugate heat transfer modeling in reactor core, flexible and multi-scale modeling of heat transfer between fluid and structures, in addition to the advances in software environments and design, and numerical methods. SAM aims to be a generic system-level safety analysis tool for advanced non-LWRs, including Liquid-Metal-cooled fast Reactors (LMR), Molten Salt Reactors (MSR), Fluoride-salt-cooled High-temperature Reactors (FHR), and High-Temperature Gas-cooled Reactors (HTGR). SAM takes advantage of advances in physical modeling, numerical methods, and software engineering to enhance its user experience and usability. It utilizes an object-oriented computational framework (MOOSE), and its underlying meshing and finite-element library and linear and non-linear solvers, to leverage the modern advanced software environments and numerical methods. This document provides the theoretical and technical basis of the code to help users understand the underlying physical models (such as governing equations, closure models, and component models), system modeling approaches, numerical discretization and solution methods, and the overall capabilities in SAM. As new code capabilities and features are added, the SAM Theory Manual will be updated periodically to keep it consistent with the state of the development.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗