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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Study of the deformed halo nucleus 31 Ne with Glauber model based on microscopic self-consistent structures

In this work, the exotic deformed nucleus 31 Ne is studied with an approach that combines self-consistent structure and reaction theories. The deformed relativistic Hartree-Bogoliubov theory in continuum (DRHBc) is utilized to demonstrate that deformation and pairing correlations give rise to a halo structure with a large-amplitude p-wave configuration in 31 Ne. Then the valence nucleon wave functions and angle-averaged density distributions of 30 Ne from this theory are used as input for the Glauber reaction model to study the observables of neutron-rich neon isotopes to search halo signatures. With NL1 effective interaction, our predictions of the reaction cross sections for these exotic neon isotopes on a carbon target can better reproduce the experimental data than those from the relativistic mean field model for a spherical shape with resonances and pairing correlation contributions, and are roughly 3.3% (~ 50 mb) larger than those with Gaussian function-fitted densities of the core nuclei. The calculated one-neutron removal cross section at 240 MeV/nucleon, and the inclusive longitudinal momentum distribution of the 30 Ne residues from the 31Ne breakup reaction are largely improved over previous theoretical predictions and agree well with data. These reaction evaluations indicate a dilute density distribution in coordinate space and are a canonical signature of a halo structure. Moreover, our predictions with the NL3 and PK1 effective interactions give slightly better descriptions of reaction observables for exotic neon isotopes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

Space Flight Cable Model Development

This work concentrates the modeling efforts presented in last year's VSGC conference paper, "Model Development for Cable-Harnessed Beams." The focus is narrowed to modeling of space-flight cables only, as a reliable damped cable model is not yet readily available and is necessary to continue modeling cable-harnessed space structures. New experimental data is presented, eliminating the low-frequency noise that plagued the first year's efforts. The distributed transfer function method is applied to a single section of space flight cable for Euler-Bernoulli and shear beams. The work presented here will be developed into a damped cable model that can be incorporated into an interconnected beam-cable system. The overall goal of this work is to accurately predict natural frequencies and modal damping ratios for cabled space structures.

testing↗
DOE OSTI2023

TAMM: Tensor algebra for many-body methods

Tensor algebra operations such as contractions in computational chemistry consume a significant fraction of the computing time on large-scale computing platforms. The widespread use of tensor contractions between large multi-dimensional tensors in describing electronic structure theory has motivated the development of multiple tensor algebra frameworks targeting heterogeneous computing platforms. In this paper, we present Tensor Algebra for Many-body Methods (TAMM), a framework for productive and performance-portable development of scalable computational chemistry methods. TAMM decouples the specification of the computation from the execution of these operations on available high-performance computing systems. With this design choice, the scientific application developers (domain scientists) can focus on the algorithmic requirements using the tensor algebra interface provided by TAMM, whereas high-performance computing developers can direct their attention to various optimizations on the underlying constructs, such as efficient data distribution, optimized scheduling algorithms, and efficient use of intra-node resources (e.g., graphics processing units). The modular structure of TAMM allows it to support different hardware architectures and incorporate new algorithmic advances. We describe the TAMM framework and our approach to the sustainable development of scalable ground- and excited-state electronic structure methods. We present case studies highlighting the ease of use, including the performance and productivity gains compared to other frameworks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Critical assessment of the recent report on the gigaparsec-scale correlation of the orientations of large quasar groups

ABSTRACT Recently, it was reported that large quasar groups (LQGs) identified from the Sloan Digital Sky Survey (SDSS) data release seven catalogue are not randomly oriented but preferentially aligned or orthogonal over scales 1–2 Gpc. To confirm this claim, I reproduced the same LQG sample and performed Sobolev tests of uniformity on the LQG orientation axes in the redshift space. Contrary to the original report based on the bimodal distribution of the LQG position angles in the sky, I found no departure from uniformity in the distribution of the LQG orientation axes. I also examined whether the LQGs are physical structures using a statistically more reliable data set constructed from the SDSS data release 16 (DR16) large-scale structure (LSS) quasar catalogue. Considering the Gaussian primordial density fluctuations and shot noise, I estimated the mass density contrasts of the LQGs from the number counts of the DR16 LSS quasars and found that most of the LQGs do not trace statistically significant high-density regions. I conclude that the LQG sample is a collection of unphysical chance associations and should not be used for any cosmological studies.

Fujii, Hirokazu (ORCID:0000000161473512)↗
NASA NTRS2007

Gamma-Ray Burst Afterglows as Probes of Environment and Blastwave Physics II: The Distribution of p and Structure of the Circumburst Medium

We constrain blastwave parameters and the circumburst media of a subsample of BeppoSAX Gamma-Ray Bursts. For this sample we derive the values of the injected electron energy distribution index, p, and the density structure index of the circumburst medium, k, from simultaneous spectral fits to their X-ray, optical and nIR afterglow data. The spectral fits have been done in count space and include the effects of metallicity, and are compared with the previously reported optical and X-ray temporal behaviour. Assuming the fireball model, we can find a mean value of p for the sample as a whole of 2.035. A statistical analysis Of the distribution demonstrates that the p values in this sample are inconsistent with a single universal value for p at the 3sigma level or greater. This approach provides us with a measured distribution of circumburst density structures rather than considering only the cases of k = 0 (homogeneous) and k = 2 (wind-like). We find five GRBs for which k can be well constrained, and in four of these cases the circumburst medium is clearly wind-like. The fifth source has a value of 0 less than or equal to k less than or equal to 1, consistent with a homogeneous circumburst medium.

Starling, R. L. C.↗
DOE OSTI2023

Examination of nucleon distribution with Bayesian imaging for isobar collisions

Relativistic collision of isobaric systems is found to be valuable in differentiating the nucleon distributions for nuclei with the same mass number. In recent contrast experiment of $^{96}_{44}$Ru + $^{96}_{44}$Ru versus $^{96}_{40}$Zr + $^{96}_{40}$Zr collisions at $\sqrt{s_{NN}}$ = 200 GeV, the ratios of multiplicity distribution, elliptic flow, triangular flow, and radial flow are precisely measured and found to be significantly different from unity, indicating the difference in the shapes of the isobar pair. Here, in this work, we investigate the feasibility of nuclear structure reconstruction from heavy-ion collision observables. We perform Bayesian Inference with employing the Monte-Carlo Glauber model as an estimator of the mapping from nuclear structure to the final state observables and to provide the mock data for reconstruction. By varying combination of observables included in the mock data, we find it plausible to infer Woods–Saxon parameters from the observables. We also observe that single-system multiplicity distribution for the isobar system, rather than their ratio, is crucial to simultaneously determine the nuclear structure for the isobar system.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Data-Driven Distributed Algorithms for Estimating Eigenvalues and Eigenvectors of Interconnected Dynamical Systems

Here, the paper presents data-driven algorithms to estimate in a distributed manner the eigenvalues, right and left eigenvectors of an unknown linear (or linearized) interconnected dynamic system. In particular, the proposed algorithms do not require the identification of the system model in advance before performing the estimation. As a first step, we consider interconnected dynamical system with distinct eigenvalues. The proposed strategy first estimates the eigenvalues using the well-known Prony method. The right and left eigenvectors are then estimated by solving distributively a set of linear equations. One important feature of the proposed algorithms is that the topology of communication network used to perform the distributed estimation can be chosen arbitrarily, given that it is connected, and is also independent of the structure or sparsity of the system (state) matrix. The proposed distributed algorithms are demonstrated via a numerical example.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Establishing metrics to quantify spatial similarity in spherical and red blood cell distributions

As computational power increases and systems with millions of red blood cells can be simulated, it is important to note that varying spatial distributions of cells may affect simulation outcomes. Since a single simulation may not represent the ensemble behavior, many different configurations may need to be sampled to adequately assess the entire collection of potential cell arrangements. In order to determine both the number of distributions needed and which ones to run, we must first establish methods to identify well-generated, randomly placed cell distributions and to quantify distinct cell configurations. We utilize metrics to assess (1) the presence of any underlying structure to the initial cell distribution and (2) similarity between cell configurations. We propose the use of the radial distribution function to identify long-range structure in a cell configuration and apply it to a randomly distributed and structured set of red blood cells. To quantify spatial similarity between two configurations, we make use of the Jaccard index, and characterize sets of red blood cell and sphere initializations. As an extension to our work submitted to the International Conference on Computational Science, we significantly increase our data set size from 72 to 1048 cells, include a similar set of studies using spheres, compare the effects of varying sphere size, and utilize the Jaccard index distribution to probe sets of extremely similar configurations. Our results show that the radial distribution function can be used as a metric to determine long-range structure in both distributions of spheres and RBCs. We determine that the ideal case of spheres within a cube versus bi-concave shaped cells within a cylinder affects the shape of the Jaccard index distributions, as well as the range of Jaccard values, showing that both the shape of particle and the domain may play a role. Furthermore, we also find that the distribution is able to capture very similar configurations through Jaccard index values greater than 95% when appending several nearly identical configurations into the data set.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

A New Era of Discovery: The 2023 Long-Range Plan for Nuclear Science (V.1.2)

Nuclear science is the investigation of how protons and neutrons are formed from elementary particles and how the forces between those particles produce both nuclei and the vast variety of nuclear phenomena that occur in the universe. It has evolved into a broad field that addresses profound scientific questions: Where does the mass of visible matter come from? How do stars ignite, live, and die? How do nuclei illuminate the search for new laws of nature? This science points the way to using nuclei to build new technologies that benefit society. The 2015 Nobel Prize in physics was shared by nuclear physicists Art McDonald and Takaaki Kajita for the discovery of neutrino oscillations, which confirmed that neutrinos have mass. Our progress on big questions like this one since 2015 has been remarkable owing to new experimental tools, theoretical breakthroughs, powerful computational techniques, and the talented people who make these innovations possible. Focusing on these new tools, the Facility for Rare Isotope Beams (FRIB) at Michigan State University is already producing exciting results on decays of never-before-produced isotopes a year after it was completed on time and on budget. The energy upgrade of the Continuous Electron Beam Accelerator Facility (CEBAF) at the Thomas Jefferson National Accelerator Facility (Jefferson Lab) was also completed on schedule and on budget—new data from this facility are revealing the spectrum, structure, and dynamics of protons, neutrons, nuclei, and mesons. On the theory front, we can now calculate the distribution of quarks inside the proton from first principles. The implementation of artificial intelligence (AI) and machine learning (ML) techniques has led to improved data analysis and increased efficiency in running experiments and theoretical calculations. The impact of nuclear science goes beyond expanding the frontiers of knowledge about matter in the universe. We simultaneously develop a STEM work force that advances the security, technology, health, and wealth of our nation. Some connections are obvious. Expert scientists trained to work with radioactive nuclei are in demand in nuclear security arenas and are highly sought after by various government agencies and private industries. Graduate students and postdoctoral fellows (postdocs) obtain extensive computational, modeling, and data science skills that are similarly in high demand. Less obvious but equally important is the connection between these trained scientists and success in other professions, including medicine, energy, and entrepreneurial pursuits. The workforce that enables discovery in nuclear science also makes breakthroughs in technologies with tremendous impact on the nation’s economic advancement.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1985

Directional reflectance factor distributions for cover types of Northern Africa

Directional reflectance factors that spanned the entire exitance hemisphere were collected on the ground throughout the morning period for common cover types in Tunisia, Africa. NOAA 7/8 AVHRR bands 1(0.58-0.68 micron) and 2 (0.7301.1 micron) were used in data collection. The cover types reported were a plowed field, annual grassland, steppe grassland, hard wheat, salt plain, and irrigated wheat. Several of these cover types had geometric structures that are extreme as compared to those reported in the literature. Comparisons were made between the dynamics of the observed reflectance distributions and those reported in the literature. It was found that the dynamics of the measured data could be explained by a combination of soil and vegetation scattering components. The data and analysis further validated physical principles that cause the reflectance distribution dynamics as proposed by field and simulation studies in the literature. Finally, the normalized difference transformation (Band 2 - Band 1)/(Band 1 + Band 2), which is useful in monitoring vegetation cover, generally decreased the variation in signal with changing view angle. However, several exceptions were noted.

Kimes, D. S.↗
NASA NTRS1984

Computer control for automated flight test maneuvering

The application of an experimental flight test maneuver autopilot test technique for collecting aerodynamic and structural flight research data on a highly maneuverable aircraft is described in this paper. This technique, which was developed to increase the quality and quantity of data obtained during flight test, was applied to the highly maneuverable aircraft technology (HiMAT) vehicle. A primary flight experiment was to verify the design techniques used to develop the HiMAT aerodynamics and structures. This required the performance of maneuvers for collection of large quantities of high-quality pressure distribution, loads, and wing and canard deflection data. Flight data obtained while executing these research maneuvers are presented to demonstrate the effectiveness of this new technique.

Duke, E. L.↗
DOE OSTI2023

Extended q -Range X-Ray Scattering Reveals High-Resolution Structural Details of Biomacromolecules in Aqueous Solutions

Here, we communicate a feasibility study for high-resolution structural characterization of biomacromolecules in aqueous solution from X-ray scattering experiments measured over a range of scattering vectors (q) that is approximately two orders of magnitude wider than used previously for such systems. Scattering data with such an extended q-range enables the recovery of the underlying real-space atomic pair distribution function, which facilitates structure determination. We demonstrate the potential of this method for biomacromolecules using several types of cyclodextrins (CD) as model systems. We successfully identified deviations of the tilting angles for the glycosidic units in CDs in aqueous solutions relative to their values in the crystalline forms of these molecules. Such level of structural detail is inaccessible from standard small angle scattering measurements. Our results call for further exploration of ultra-wide-angle X-ray scattering measurements for biomacromolecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

ORNL_AISD_NiNb

This dataset describes the nickel-niobium solid solution binary alloy, where the two constituent elements nickel (Ni) and niobium (Nb) are randomly placed on an underlying crystal lattice. This dataset for nickel-niobium (Ni-Nb) alloys available includes the formation energy and bulk modulus for each crystal structure. Each atomic sample has a disordered phase which is obtained starting from an initial regular crystal structure of type body-centered cubic (BCC), face-centered cubic (FCC), or hexagonal compact packed (HCP). The geometry optimization ensures that all the alloy samples reached the equilibrium with negative formation energy. We perform geometry optimizations using the LAMMPS simulation package [1], a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. We utilized the embedded atom model (EAM) potential for Ni and Nb developed in a previous study [2]. The potential could describe behaviors of the liquid and solid phases of Ni-Nb alloy. The structural factors and angular distributions of three atoms are well-matched with X-ray and ab initio-based molecular dynamics data. We prepared the three different crystals with different initial lattice parameters (3.52 Ã… for FCC, 3.32 Ã… for BCC, and 3.5 Ã… for HCP). We performed energy minimization in two steps. Firstly, we minimized the structures with an isotropic unit cell to minimize the side effects from our arbitrary lattice parameters for all other compositions. Then, we applied geometry optimization with a triclinic (non-orthogonal) unit cell to fully minimize the stress components to calculate the elastic constants. In this procedure, we chose 10,000 as the maximum number of allowable steps aimed at obtaining fully relaxed atomic geometries. The dataset consists of three sets of crystal structures. The first set contains 46,086 irregular crystal structures, each of them with 54 atoms, obtained through optimization starting from a regular BCC crystal structure. The second set contains 24,543 irregular crystal structures, each of them with 32 atoms, obtained through optimization starting from a regular FCC crystal structure. The third set contains 39,303 irregular crystal structures, each of them with 48 atoms, obtained through optimization starting from a regular HCP crystal structure. The atomic configurations within each set span the possible compositional range. The three sets have been unified in a global dataset, which is extremely heterogeneous in terms of crystal structures, lattice volumes, and atomic configurations. Organization of files inside the dataset: the dataset contains three subdirectories called • BCC_opt • FCC_opt • HCP_opt based on the type of initial regular structure used to start the geometry optimization. Inside each of these folders, every atomic structure is identified by a string “A_B_Câ€, where A denotes the number of Nb in the system, B denotes index of structure with a given Nb number, and C denotes the total number of structures generated with a given Nb number. For each optimized crystal structure identified by the unique string of characters “A_B_Câ€, three files are provided: • A_B_C_opt.xyz: The optimized geometries in xyz format • A_B_C_opt.cfg: The optimized geometries in cfg format. It includes cell information and atomic energy, and forces calculated from LAMMPS. • A_B_C.elastic: Raw data of 21 elastic constants from LAMMPS output. • A_B_C.bulk: Calculated upper and lower bounds of bulk modulus and averaged one based on Voigt-Reuss-Hill approach from *.elastic. References: [1] A. P. Thompson, H. M. Aktulga, R. Berger, D. S. Bolintineanu, W. M. Brown, P. S. Crozier, P. J. in 't Veld, A. Kohlmeyer, S. G. Moore, T. D. Nguyen, R. Shan, M. J. Stevens, J. Tranchida, C. Trott, and S. J. Plimpton. LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. Comp. Phys. Comm., 271:108171, 2022. [2] Y Zhang, R Ashcraft, MI Mendelev, CZ Wang, and KF Kelton. Experimental and molecular dynamics simulation study of structure of liquid and amorphous ni62nb38 alloy. The Journal of chemical physics, 145(20):204505, 2016.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Dust clouds in Orion and the interstellar neutral hydrogen distribution

According to published examples of the far IR observations in the Orion and its surroundings, several well defined dust clouds of different sizes and structure are present. For comparison of these clouds with the neutral hydrogen distribution on the area of approx. 1000 sq degs, the data from Pulkovo Sky Survey in the interstellar neutral Hydrogen Radio Line as well as special observations with the RATAN-600 telescope in 21 cm line were used. From the materials of Pulkovo HI Survey, the data were taken near the line emission at ten velocities between -21.8 and +25.6 km/s LSR for the structural component of the interstellar hydrogen emission. The results given concern mainly the Orion's Great Dust Cloud and the Lambda Orionis region where the information about the situation with the dust and interstellar hydrogen is very essential for interpretation.

Bystrova, N. V.↗
DOE OSTI2023

High-resolution lithospheric structure of continental China from joint inversion of surface wave and gravity data

The lithospheric structure of continental China has been previously determined by seismic travel time tomography, surface wave tomography, and joint inversion of body wave and surface wave data. However, due to the inherent limitations of seismic data, the lithospheric structure of continental China is still not well resolved in the shallow part and in some regions where the station coverage is relatively sparse. In this study, we aim at improving the lithospheric structure by joint inversion of seismic surface wave data and satellite gravity data to take advantage of the uniform distribution and complementary strength of the gravity data. Here, the empirical relationship between velocity and density is used as a bridge for joint inversion of surface wave and gravity data. The joint inversion shear-wave velocity Vs (density) model, named as USTClitho1.0g, can fit both surface wave and gravity data well. This high-resolution Vs model can better fit the active airgun source seismic arrival times and better delineate some features in continental China, such as the velocity contrast across the north–south gravity lineament (NSGL), the lithosphere thinning in eastern China, the crustal footprint of the Hainan mantle plume, the likely magma chamber beneath volcanos in northeast China, the middle-lower crust low velocity layer beneath the Tibetan plateau, and the tearing of subducted Indian mantle lithosphere. Our joint inversion Vs model can provide a reference model for geosciences in continental China and surrounding areas.

58 GEOSCIENCES↗
NASA NTRS1984

International Ultraviolet Explorer observations of amorphous hot galaxies

In order to better understand the nature of star formation processes in amorphous galaxies, short wavelength International Ultraviolet Explorer (IUE) spectra of galaxies NGC 1705 and NGC 1800 were obtained. The IUE data for NGC 1705 were of excellent quality while the low signal-to-noise NGC 1800 observation was useful only as a rough guide to the ultraviolet energy distribution. It was found that NGC 1705 contains a normal mix of OB stars, which is consistent with the nearly constant recent star formation rate inferred from new optical data. The NGC 1800 is likely to have similar properties, and blue galaxies with amorphous structures thus do not show evidence for anomalies in stellar mass distributions. The UV spectra of amorphous galaxies and a variety of other hot extragalactic stellar systems have similar characteristics, which suggests OB stellar populations often are homogeneous in their properties.

Lamb, S. A.↗
NASA NTRS2007

A Support Database System for Integrated System Health Management (ISHM)

The development, deployment, operation and maintenance of Integrated Systems Health Management (ISHM) applications require the storage and processing of tremendous amounts of low-level data. This data must be shared in a secure and cost-effective manner between developers, and processed within several heterogeneous architectures. Modern database technology allows this data to be organized efficiently, while ensuring the integrity and security of the data. The extensibility and interoperability of the current database technologies also allows for the creation of an associated support database system. A support database system provides additional capabilities by building applications on top of the database structure. These applications can then be used to support the various technologies in an ISHM architecture. This presentation and paper propose a detailed structure and application description for a support database system, called the Health Assessment Database System (HADS). The HADS provides a shared context for organizing and distributing data as well as a definition of the applications that provide the required data-driven support to ISHM. This approach provides another powerful tool for ISHM developers, while also enabling novel functionality. This functionality includes: automated firmware updating and deployment, algorithm development assistance and electronic datasheet generation. The architecture for the HADS has been developed as part of the ISHM toolset at Stennis Space Center for rocket engine testing. A detailed implementation has begun for the Methane Thruster Testbed Project (MTTP) in order to assist in developing health assessment and anomaly detection algorithms for ISHM. The structure of this implementation is shown in Figure 1. The database structure consists of three primary components: the system hierarchy model, the historical data archive and the firmware codebase. The system hierarchy model replicates the physical relationships between system elements to provide the logical context for the database. The historical data archive provides a common repository for sensor data that can be shared between developers and applications. The firmware codebase is used by the developer to organize the intelligent element firmware into atomic units which can be assembled into complete firmware for specific elements.

FROM↗
DOE OSTI2023

Structural water in amorphous carbonate minerals: ab initio molecular dynamics simulations of X-ray pair distribution experiments

Water is known to play a controlling role in directing mineralization pathways and stabilizing metastable amorphous intermediates in hydrous carbonate mineral MCO 3 ·nH 2 O systems, where M 2+ is a divalent metal cation. Despite this recognition, the nature of the controls on crystallization is poorly understood, largely owing to the difficulty in characterizing the dynamically disordered structures of amorphous intermediates at the atomic scale. Here, we present a series of atomistic models, derived from ab initio molecular dynamics simulation, across a range of experimentally relevant cations (M = Ca, Mg, Sr) and hydration levels (0 ≤ n ≤ 2). Theoretical simulations of the dependence of the X-ray pair distribution function on the hydration level n show good agreement with available experimental data and thus provide further evidence for a lack of significant nanoscale structure in amorphous carbonates. Upon dehydration, the metal coordination number does not change significantly, but the relative extent of water dissociation increases, indicating that a thermodynamic driving force exists for water dissociation to accompany dehydration. Mg strongly favors monodentate conformation of carbonate ligands and shows a marked preference to exchange monodentate carbonate O for water O upon hydration, whereas Ca and Sr exchange mono- and bidentate carbonate ligands with comparable frequency. Finally, water forms an extensive hydrogen bond network among both water and carbonate groups that exhibits frequent proton transfers for all three cations considered suggesting that proton mobility is likely predominantly due to water dissociation and proton transfer reactions rather than molecular water diffusion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗