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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 199 records · Page 11

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DOE OSTI2018

SENSMG: First-Order Sensitivities of Neutron Reaction Rates, Reaction-Rate Ratios, Leakage, k eff , and α Using PARTISN

SENSMG is a tool for calculating the first-order sensitivities of reaction-rate ratios, k eff , and α in critical problems and reaction-rate ratios, reaction rates, and leakage in fixed-source problems to multigroup cross sections, isotope densities, material mass densities, and interface locations using the PARTISN multigroup discrete-ordinates code by implementing Generalized Perturbation Theory. SENSMG can be used for one-dimensional spherical and slab (r) and two-dimensional cylindrical (r-z) geometries. For fixed-source (leakage) problems, SENSMG relies on the MISC and/or SOURCES4C codes to compute neutron source rate densities from spontaneous fission and (α,n) sources. SENSMG is a combination of Python and Fortran and was developed under Linux. This computer code abstract describes all user inputs, the input file, and output files. Furthermore, this computer code abstract describes how SENSMG can be modified to support different computer platforms, PARTISN versions, or cross-section availability. Several verification problems are presented in which SENSMG results are compared with MCNP6, SCALE6.2, and direct perturbations (central differences).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2012

GLOBAL MODELING OF X-RAY SPECTRA PRODUCED IN O-TYPE STAR WINDS

High-resolution X-ray spectra of O-type stars revealed less wind absorption than expected from smooth winds with conventional mass-loss rates. Various solutions have been proposed, including porous winds, optically thick clumps, or an overall reduction of the mass-loss rates. The latter has a strong impact on the evolution of the star. Our final goal is to analyze high-resolution X-ray spectra of O-type stars with a multi-temperature plasma model in order to determine crucial stellar and wind parameters such as the mass-loss rate, the CNO abundances, and the X-ray temperature plasma distribution in the wind. In this context we are developing a modeling tool to calculate synthetic X-ray spectra. We present here the main ingredients and physics necessary for such a work. Our code uses the most recent version of the AtomDB emissivities to compute the intrinsic emissivity of the hot plasma as well as the CMFGEN model atmosphere code to evaluate the opacity of the cool wind. Following the comparison between two formalisms of stellar wind fragmentation, we introduce, for the first time in X-rays, the effects of a tenuous inter-clump medium. We then explore the quantitative impact of different model parameters on the X-ray spectra such as the position in the wind of the X-ray emitting plasma. For the first time, we also show that the two formalisms of stellar wind fragmentation yield different results, although the differences for individual lines are small and can probably not be tested with the current generation of X-ray telescopes. As an illustration of our method, we compare various synthetic line profiles to the observed O VIII {lambda}18.97 line in the spectrum of {zeta} Puppis. We illustrate how different combinations of parameters can actually lead to the same morphology of a single line, underlining the need to analyze the whole spectrum in a consistent way when attempting to constrain the parameters of the wind.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2012

Search for Spatially Extended Fermi-LAT Sources Using Two Years of Data

Spatial extension is an important characteristic for correctly associating {gamma}-ray-emitting sources with their counterparts at other wavelengths and for obtaining an unbiased model of their spectra. We present a new method for quantifying the spatial extension of sources detected by the Large Area Telescope (LAT), the primary science instrument on the Fermi Gamma-ray Space Telescope (Fermi). We perform a series of Monte Carlo simulations to validate this tool and calculate the LAT threshold for detecting the spatial extension of sources. We then test all sources in the second Fermi -LAT catalog (2FGL) for extension. We report the detection of seven new spatially extended sources.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2012

Gauge-invariant perturbations at second order in two-field inflation

We study the second-order gauge-invariant adiabatic and isocurvature perturbations in terms of the scalar fields present during inflation, along with the related fully non-linear space gradient of these quantities. We discuss the relation with other perturbation quantities defined in the literature. We also construct the exact cubic action of the second-order perturbations (beyond any slow-roll or super-horizon approximations and including tensor perturbations), both in the uniform energy-density gauge and the flat gauge in order to settle various gauge-related issues. We thus provide the tool to calculate the exact non-Gaussianity beyond slow-roll and at any scale.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

Covariant second-order perturbations in generalized two-field inflation

We examine the covariant properties of generalized models of two-field inflation, with non-canonical kinetic terms and a possibly non-trivial field metric. We demonstrate that kinetic-term derivatives and covariant field derivatives do commute in a proper covariant framework, which was not realized before in the literature. We also define a set of generalized slow-roll parameters, using a unified notation. Within this framework, we study the most general class of models that allows for well-defined adiabatic and entropic sound speeds, which we identify as the models with parallel momentum and field velocity vectors. For these models we write the exact cubic action in terms of the adiabatic and isocurvature perturbations. We thus provide the tool to calculate the exact non-Gaussianity beyond slow-roll and at any scale for these generalized models. We illustrate our general results by considering their long-wavelength limit, as well as with the example of two-field DBI inflation.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2013

USING CUMULATIVE NUMBER DENSITIES TO COMPARE GALAXIES ACROSS COSMIC TIME

Comparing galaxies across redshifts at fixed cumulative number density is a popular way to estimate the evolution of specific galaxy populations. This method ignores scatter in mass accretion histories and galaxy-galaxy mergers, which can lead to errors when comparing galaxies over large redshift ranges (Δz > 1). We use abundance matching in the ΛCDM paradigm to estimate the median change in cumulative number density with redshift and provide a simple fit (+0.16 dex per unit Δz) for progenitors of z = 0 galaxies. We find that galaxy descendants do not evolve in the same way as galaxy progenitors, largely due to scatter in mass accretion histories. We also provide estimates for the 1σ range of cumulative number densities corresponding to galaxy progenitors and descendants. Finally, we discuss some limits on cumulative number density comparisons, which arise due to difficulties measuring physical quantities (e.g., stellar mass) consistently across redshifts. A public tool to calculate cumulative number density evolution for galaxies, as well as approximate halo masses, is available online.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Electric Vehicles, Biofuels, and Transitions in Transportation Energy

The decarbonization of power sources for light duty transportation is moving towards the use of renewable energies, biofuels, and electric vehicles. Currently there are three major light transportation fuels: gasoline (US gasoline is 98% E10), biofuels (E85), and electricity. Currently fuel ethanol in biofuels is obtained principally from corn in the US and sugarcane in Brazil with a small amount from cellulose. The transition to alternative fuels has been occurring since 1980, although light transportation still relies on gasoline. The rise of battery electric vehicles (BEV) is now beginning to offset internal combustion engines (ICE), while recent advances in biotechnology and integrated plant design have enhanced the economic feasibility of cellulosic biofuels. This paper explores the potential role of these fuels in reducing the carbon footprint associated with light transportation. We compare three different cases: Gasoline, E85 and full electric based on the Argonne AFLEET tool to calculate generation of greenhouse gases due to manufacturing and operation of BEV and ICE cars, respectively, in the US assuming an average useful automobile life of 200,000 miles or 12 years. We concluded that significant liquid fuel use (both renewable and non-renewable) will continue for the next 50 years. Here, renewable liquid fuels have an important role to play as the transportation sector transitions from petroleum to other energy sources.

09 BIOMASS FUELS↗

DOE OSTI2022

Cumulant methods for electron-phonon problems. I. Perturbative expansions

Here in this work, we investigate the ability of the cumulant expansion (CE) to capture one-particle spectral information in electron-phonon coupled systems at both zero and finite temperatures. In particular, we present a comprehensive study of the second- and fourth-order CEs for the one-dimensional Holstein model as compared with numerically exact methods. We investigate both finite sized systems as well as the approach to the thermodynamic limit, drawing distinctions, and connections between the behavior of systems in and away from the thermodynamic limit that enable a greater understanding of the ability of the CE to capture real-frequency information across the full range of wave vectors. We find that for zero electronic momentum, the spectral function is well described by the second-order CE at low and high temperatures. However, for nonzero electronic momenta, the CE is only accurate at high temperature. We analyze the fourth-order cumulant and find that while it improves the description of the short-time dynamics encoded in the one-particle Green's function, it can introduce divergences in the time domain as well as unphysical negative spectral weight in the spectral function. When well-behaved, the fourth-order CE does provide notable accurate corrections to the second-order CE. Finally, we use our results to comment on the use of the CE as a tool for calculating transport behavior in the realistic ab initio modeling of materials.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Cumulant methods for electron-phonon problems. II. The self-consistent cumulant expansion

Here in this paper we present a self-consistent cumulant expansion (SC-CE) and investigate its accuracy for the one-dimensional Holstein model with and without phonon dispersion. We show that for finite lattice sizes, the numerical integration of the SC-CE equations becomes unstable at long times. This defect is partially ameliorated when studying systems in the thermodynamic limit, enabling the demonstration that the SC-CE corrects many deficits of the standard perturbative CE in the (nondispersive) Holstein model. The natural phonon damping that arises in the more realistic dispersed Holstein model renders the SC-CE stable, allowing for a complete assessment of the method. Here, we find that self-consistency dramatically corrects many of the failures found in the perturbative CE, but also introduces some unphysical features. Finally, we comment on the potential use of SC-CE as a tool for calculating Green's functions in generic many-body problems.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Models for Resilience Design Patterns

Resilience plays an important role in supercomputers by providing correct and efficient operation in case of faults, errors, and failures. Resilience design patterns offer blueprints for effectively applying resilience technologies. Prior work focused on developing initial efficiency and performance models for resilience design patterns. This paper extends it by (1) describing performance, reliability, and availability models for all structural resilience design patterns, (2) providing more detailed models that include flowcharts and state diagrams, and (3) introducing the Resilience Design Pattern Modeling (RDPM) tool that calculates and plots the performance, reliability, and availability metrics of individual patterns and pattern combinations.

Kumar, Mohit↗

DOE OSTI2025

GASP: Gradient-Aware Shortest Path Algorithm for Boundary-Confined 2-Manifold Reeb Graph Visualization

Reeb graphs are an important tool for abstracting and representing the topological structure of a function defined on a manifold. We have identified three properties for faithfully representing Reeb graphs in a visualization: they should be constrained to the boundary, compact, and aligned with the function gradient. Existing algorithms for drawing Reeb graphs are agnostic to or violate these properties. In this paper, we introduce an algorithm to generate Reeb graph visualizations, called GASP, that is cognizant of these properties, thereby producing visualizations that are more representative of the underlying data. To demonstrate the improvements, the resulting Reeb graphs are evaluated both qualitatively and quantitatively against the geometric barycenter algorithm, using its implementation available in the Topology ToolKit (TTK), a widely adopted tool for calculating and visualizing Reeb graphs.

Rahman, Sefat [University of Utah]↗

DOE OSTI2014

Forward jet production & quantum corrections to the gluon Regge trajectory from Lipatov’s high energy effective action

We review Lipatov’s high energy effective action and show that it is a useful computational tool to calculate scattering amplitudes in (quasi)-multi-Regge kinematics. We explain in some detail our recent work where a novel regularization and subtraction procedure has been proposed that allows to extend the use of this effective action beyond tree level. Two examples are calculated at next-to-leading order: forward jet vertices and the gluon Regge trajectory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Numerical Simulations of Carbon Dioxide Storage Efficiency in Heterogeneous Reservoir Models

The U.S. Department of Energy’s National Energy Technology Laboratory (DOE-NETL) has been developing methods and tools (the online Carbon Dioxide Storage prospeCtive Resource Estimation Excel aNalysis (CO2-SCREEN) tool) to estimate carbon dioxide (CO2) storage potential in subsurface reservoirs. The CO2 storage efficiency terms are input in the tool to calculate storage potential in targeted reservoirs. In this effort, two CO2 storage efficiency terms were evaluated: volumetric displacement ( E V ) and microscopic displacement ( E d ). The first term deals with efficiency of CO2 propagation into an accessible reservoir volume, while the second term evaluates effectiveness of native fluid displacement with CO2. The interpreted well logs and core sample measurements were applied to create the heterogeneous reservoir models including geostatistical realizations of porosity and intrinsic permeability fields. Supercritical CO2 was injected over the course of 30 years into brine-saturated reservoir models for clastics, limestone, and dolomite lithologies and deltaic fluvial, aeolian, shallow marine, and reef depositional environments by means of varying reservoir parameters and injection scenarios. The reservoir models providing vertically heterogeneous petrophysical properties and designated as “layered reservoir models” (with homogeneous parameters along each layer of the model) were not determined to be a transition between the homogeneous and heterogeneous models in respect to storage efficiency. Another finding shows that high-efficiency factors do not necessarily mean increased CO2 storage; they rather indicate that the available volume and pore space are more fully utilized. The CO2 storage efficiency factors were evaluated dynamically at the select time points using P 10 ‐ P 50 ‐ P 90 percentiles. The results of this study show that the P 10 ‐ P 90 distribution for volumetric efficiency is wider when compared to the microscopic efficiency. It was found that where dominant buoyancy forces drive the plume to the top of a target formation, the volumetric efficiency is low. Tighter sandstone and carbonate formations show prevalence of capillary forces and better utilization of reservoir volume.

Myshakin, Evgeniy M.↗

DOE OSTI2015

FESTR, Version 0.x

FESTR is a modeling tool for calculating spectroscopic-quality synthetic outputs (e.g., spectra and images) based on (in general) the time evolutions of 3-D spatial distributions of materials characterized by their chemical composition, temperature, and density conditions. FESTR performs raytracing across unstructured meshes, builds intrinsic optical properties of mixed materials by performing equation-of-state lookups in external data, and then solves the radiation-transport equation along rays to obtain emergent time and space resolved synthetic spectra. These results can be further processed into time and/or space integrated spectra, as well as into spectral-band-integrated synthetic images, radiated power histories, and total radiated energy values. FESTR is also applicable to spatial reconstructions of material properties via the analysis of experimental data.

Hakel, Peter↗

DOE OSTI2017

Reversible Gene Drive Mechanism Utilizing Trana Inactivating Paramutatlons In Insects (paramutale 0.9)

The paramutate software package Is a tool to calculate the genotyplc and phenotyplc propagation of a gene drive that can be silenced with a homologuus trans-Inactivating panmutatlon, ln dlptera or other species with a slmUar-acttng pl RNA system/Plwi pathway. Method of SolaUon: paramutate uses rults of Mendelian, gene drive (I.e.. stimulated conversion), and maternal Inheritance to compute the propaptlon of a notional gene drive construct and Its trans-lnactlvat1n1 paramutatlon, throu1b a panmlctlc, fixed-size population reproducing In synchronous generations.

Drocco, JefferyA.↗

DOE OSTI2024

Tight Practical Bounds for Subgraph Densities in Ego-centric Networks

SAND2025-11782O Tight Practical Bounds for Subgraph Densities in Ego-centric Networks is a software tool for calculating the “subgraph spread ratio” for social network analysis. This value is useful in network analysis for determining the amount of exogenous and endogenous pressure on a graph. It can distinguish between networks coming from different sources, e.g. distinguishing a graph of Facebook data versus a graph of Wikipedia data. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Mattes, Connor↗

DOE OSTI2013

Using Cumulative Number Densities to Compare Galaxies Across Cosmic Time

Comparing galaxies across redshifts at fixed cumulative number density is a popular way to estimate the evolution of specific galaxy populations. This method ignores scatter in mass accretion histories and galaxy-galaxy mergers, which can lead to errors when comparing galaxies over large redshift ranges (∆z > 1). We use abundance matching in the ΛCDM paradigm to estimate the median change in cumulative number density with redshift and provide a simple fit (+0.16 dex per unit ∆z) for progenitors of z = 0 galaxies. We find that galaxy descendants do not evolve in the same way as galaxy progenitors, largely due to scatter in mass accretion histories. We also provide estimates for the 1σ range of cumulative number densities corresponding to galaxy progenitors and descendants. Finally, we discuss some limits on cumulative number density comparisons, which arise due to difficulties measuring physical quantities (e.g., stellar mass) consistently across redshifts. A public tool to calculate cumulative number density evolution for galaxies, as well as approximate halo masses, is available online.

ASTRO↗

DOE OSTI2013

Geothermal Economics Calculator (GEC): Additional modifications to final report as per GTP's request

This report will discuss the methods and the results from economic impact analysis applied to the development of Enhanced Geothermal Systems (EGS), conventional hydrothermal, low temperature geothermal and coproduced fluid technologies resulting in electric power production. As part of this work, the Energy & Geoscience Institute (EGI) has developed a web-based Geothermal Economics Calculator (Geothermal Economics Calculator (GEC)) tool that is aimed at helping the industry perform geothermal systems analysis and study the associated impacts of specific geothermal investments or technological improvements on employment, energy and environment. It is well-known in the industry that geothermal power projects will generate positive economic impacts for their host regions. Our aim in the assessment of these impacts includes quantification of the increase in overall economic output due to geothermal projects and of the job creation associated with this increase. Such an estimate of economic impacts of geothermal investments on employment, energy and the environment will also help us understand the contributions that the geothermal industry will have in achieving a sustainable path towards energy production.

15 GEOTHERMAL ENERGY↗