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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Constraining accuracy of the pairwise velocities in N -body simulations using scale-free models

We present a continuation of an analysis that aims to quantify resolution of N-body simulations by exploiting large (up to N = 4096 3 ) simulations of scale-free cosmologies run using abacus. Here, we focus on radial pairwise velocities of the matter field, both by direct estimation and through the cumulative two-point correlation function (using the pair conservation equation). We find that convergence at the 1 per cent level of the mean relative pairwise velocity can be demonstrated over a range of scales, evolving from a few times the grid spacing at early times to slightly below this scale at late times. We show the analysis of two different box sizes as well as from averaging results from the smaller boxes, and compare the power of the two aforementioned estimators in constraining accuracy at each scale. Down to scales of the order of the smoothing parameter, convergence is obtained at ∼5 per cent precision, and shows a behaviour indicating asymptotic stable clustering. In conclusion, we also infer for LCDM simulations conservative estimates on the evolution of the lower cut-off to resolution (at 1 and 5 per cent precision) as a function of redshift.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Cosmic reionization on computers. I. Design and calibration of simulations

Cosmic Reionization On Computers is a long-term program of numerical simulations of cosmic reionization. Its goal is to model fully self-consistently (albeit not necessarily from the first principles) all relevant physics, from radiative transfer to gas dynamics and star formation, in simulation volumes of up to 100 comoving Mpc, and with spatial resolution approaching 100 pc in physical units. In this method paper, we describe our numerical method, the design of simulations, and the calibration of numerical parameters. Using several sets (ensembles) of simulations in 20 h {sup –1} Mpc and 40 h {sup –1} Mpc boxes with spatial resolution reaching 125 pc at z = 6, we are able to match the observed galaxy UV luminosity functions at all redshifts between 6 and 10, as well as obtain reasonable agreement with the observational measurements of the Gunn-Peterson optical depth at z < 6.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

Coordinate-Space Hartree-Fock-Bogoliubov Solvers for Super fluid Fermi Systems in Large Boxes

The self-consistent Hartree-Fock-Bogoliubov problem in large boxes can be solved accurately in the coordinate space with the recently developed solvers HFB-AX (2D) and MADNESS-HFB (3D). This is essential for the description of superfluid Fermi systems with complicated topologies and significant spatial extend, such as fissioning nuclei, weakly-bound nuclei, nuclear matter in the neutron star rust, and ultracold Fermi atoms in elongated traps. The HFB-AX solver based on B-spline techniques uses a hybrid MPI and OpenMP programming model for parallel computation for distributed parallel computation, within a node multi-threaded LAPACK and BLAS libraries are used to further enable parallel calculations of large eigensystems. The MADNESS-HFB solver uses a novel multi-resolution analysis based adaptive pseudo-spectral techniques to enable fully parallel 3D calculations of very large systems. In this work we present benchmark results for HFB-AX and MADNESS-HFB on ultracold trapped fermions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

SU-E-I-66: Radiomics and Image Registration Updates for the Computational Environment for Radiotherapy Research (CERR)

Purpose: To present new tools in CERR for Radiomics, image registration and other software updates and additions. Methods: Radiomics: CERR supports generating 3-D texture metrics based on gray scale co-occurance. Two new ways to calculate texture features were added: (1) Local Texture Averaging: Local texture is calculated around a voxel within the userdefined bounding box. The final texture metrics are the average of local textures for all the voxels. This is useful to detect any local texture patterns within an image. (2) Image Smoothing: A convolution ball of user-defined radius is rolled over an image to smooth out artifacts. The texture metrics are then computed on the smooth image. Image Registration: (1) Support was added to import deformation vector fields as well as non-deformable transformation matrices generated by vendor software and stored in standard DICOM format. (2) Support was added to use image within masks while computing image deformations. CT to MR registration is supported. This registration uses morphological edge information within the images to guide the deformation process. In addition to these features, other noteworthy additions to CERR include (1) Irregularly shaped ROI: This is done by taking intersection between infinitely extended irregular polygons drawn on any of the two views. Such an ROI is more conformal and useful in avoiding any unwanted parts of images that cannot be avoided with the conventional cubic box. The ROI is useful to generate Radiomics metrics. (2) Ability to insert RTDOSE in DICOM format to existing CERR plans. (3) Ability to import multi-frame PET-CT and SPECT-CT while maintaining spatial registration between the two modalities. (4) Ability to compile CERR on Unix-like systems. Results: The new features and updates are available via https://www.github.com/adityaapte/cerr . Conclusion: Features added to CERR increase its utility in Radiomics, Image-Registration and Outcomes modeling.

07 ISOTOPE AND RADIATION SOURCES↗
NASA NTRS1986

On testing of functionally equivalent components of fault-tolerant software

Six functionally equivalent programs were tested with specification based random and extremal/special value (ESV) test cases. Statement and branch coverage were used to measure and compare the attained testing effectiveness. It was observed that both measures reached a nearly steady state value after 25 to 75 random test cases. Coverage saturation curves appear to follow an exponential growth model. However, the steady state values for branch coverage of different components, but the same input cases, differed by as much as 22 percent. The effect is the result of the differences in the detailed structure of the components. Improvement in coverage provided by the random test data, after the ESV cases were executed, was only about 1 percent. Results indicate that extensive random testing can be a process of diminishing returns, and that in the FTS context functional ('black box') testing can provide a very uneven execution coverage of the functionally equivalent software, and therefore should be supplemented by structure based testing.

Vouk, Mladen A.↗
NASA NTRS1993

Experimental evaluation of tailored chordwise deformable box beam and correlation with theory

This paper describes an experimental methodology based upon the use of a flexible sling support and load application system that has been created and utilized to evaluate a box beam which incorporates an elastic tailoring technology. The design technique used here for elastically tailoring the composite box beam structure is to produce exaggerated chordwise camber deformation of substantial magnitude to be of practical use in the new composite aircraft wings. The traditional methods such as a four-point bend test to apply constant bending moment with rigid fixtures inhibits the designed chordwise deformation from occurring and, hence, the need for the new test method. The experimental results for global camber and spanwise bending compliances correlate well with theoretical predictions based on a beam-like model.

Rehfield, Lawrence W.↗
DOE OSTI2023

Black-box statistical prediction of lossy compression ratios for scientific data

Lossy compressors are increasingly adopted in scientific research, tackling volumes of data from experiments or parallel numerical simulations and facilitating data storage and movement. In contrast with the notion of entropy in lossless compression, no theoretical or data-based quantification of lossy compressibility exists for scientific data. Users rely on trial and error to assess lossy compression performance. As a strong data-driven effort toward quantifying lossy compressibility of scientific datasets, we provide a statistical framework to predict compression ratios of lossy compressors. Our method is a two-step framework where (i) compressor-agnostic predictors are computed and (ii) statistical prediction models relying on these predictors are trained on observed compression ratios. Proposed predictors exploit spatial correlations and notions of entropy and lossyness via the quantized entropy. We study 8+ compressors on 6 scientific datasets and achieve a median percentage prediction error less than 12%, which is substantially smaller than that of other methods while achieving at least a 8.8× speedup for searching for a specific compression ratio and 7.8× speedup for determining the best compressor out of a collection.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1982

Scale-free models of galaxies. II - A complete survey of orbits

A complete set of orbits starting at over 400 distinct points spread out in the phase space of an oblate scale-free potential is investigated. Each orbit is followed for a time that corresponds to a Hubble time in a realistic galaxy potential suitable for an E5 or E6 galaxy. It is noted that none of the orbits in the survey is ergodic. All of the survey orbits are regular, visiting a region at least one dimension smaller than expected from the classical integrals of motion. Thus, for all practical purposes, they have an extra nonclassical isolating integral. Approximately 95% of the survey orbits are box orbits, the rest being pipes (formerly tubes). The survey exposes an ambiguity in the original classification scheme for orbits, which, it is noted, can be resolved on the basis of the topology of an orbit's surface of section. Nevertheless, the distinction between high order very convoluted pipes and boxes is probably artificial for practical purposes.

Richstone, D. O.↗
DOE OSTI2021

The LHC Olympics 2020 a community challenge for anomaly detection in high energy physics

A new paradigm for data-driven, model-agnostic new physics searches at colliders is emerging, and aims to leverage recent breakthroughs in anomaly detection and machine learning. In order to develop and benchmark new anomaly detection methods within this framework, it is essential to have standard datasets. To this end, we have created the LHC Olympics 2020, a community challenge accompanied by a set of simulated collider events. Participants in these Olympics have developed their methods using an R&D dataset and then tested them on black boxes: datasets with an unknown anomaly (or not). Furthermore, methods made use of modern machine learning tools and were based on unsupervised learning (autoencoders, generative adversarial networks, normalizing flows), weakly supervised learning, and semi-supervised learning. This paper will review the LHC Olympics 2020 challenge, including an overview of the competition, a description of methods deployed in the competition, lessons learned from the experience, and implications for data analyses with future datasets as well as future colliders.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Multichannel 0 → 2 and 1 → 2 transition amplitudes for arbitrary spin particles in a finite volume

We present a model-independent, non-perturbative relation between finite-volume matrix elements and infinite-volume $\textbf{0}\rightarrow\textbf{2}$ and $\textbf{1}\rightarrow\textbf{2}$ transition amplitudes. Our result accommodates theories in which the final two-particle state is coupled to any number of other two-body channels, with all angular momentum states included. The derivation uses generic, fully relativistic field theory, and is exact up to exponentially suppressed corrections in the lightest particle mass times the box size. This work distinguishes itself from previous studies by accommodating particles with any intrinsic spin. To illustrate the utility of our general result, we discuss how it can be implemented for studies of $N+\mathcal{J}~\rightarrow~(N\pi,N\eta,N\eta',\Sigma K,\Lambda K)$ transitions, where $\mathcal{J}$ is a generic external current. The reduction of rotational symmetry, due to the cubic finite volume, manifests in this example through the mixing of S- and P-waves when the system has nonzero total momentum.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Analysis of Past Leaks from Waste Management Area C, Hanford, Washington - 17525

Waste Management Area C (WMA C) at the Hanford Site was actively used for several decades for storing radioactive waste in tanks, and therefore is alternatively termed a 'waste management area,' or a 'tank farm.' During its operational life, a number of documented leaks occurred within or near to the WMA. The largest ones were associated with leaks in pipelines and diversion boxes, with the inlets or outlets of the tanks, or with leaks from the tanks themselves. Contaminants associated with these leaks were released to the soil, and mobile {sup 99}Tc has reached the groundwater exceeding drinking water standards. An analysis of the impact of past leaks on groundwater resources has been undertaken as part of the overall process of closing the tank farm. The analysis of leaks was carried out using a suite of scoping cases to evaluate alternative conceptual models for the leak behavior to identify those that are in reasonable agreement with observed concentrations of {sup 99}Tc in groundwater. Comparisons of the scoping cases with available {sup 99}Tc observations indicate the following. - Several of the scoping cases produced results that are inconsistent with observations, indicating that the assumptions in those cases may not be representative of conditions in WMA C. These negative results are valuable in improving the understanding of the migration of {sup 99}Tc from WMA C. - The remaining scoping analyses produced comparable results to each other, and none were obviously superior to others in terms of explaining the {sup 99}Tc observations. When uncertainties in groundwater fluxes were taken into account, these scoping analyses were capable of producing both arrival times and concentrations consistent with observed data for {sup 99}Tc. A representative model was used to implement a forward projection of a suite of contaminants of concern to show how the contamination associated with past leaks can be expected to evolve in the future. This paper presents these results and discusses their implications on groundwater contamination at WMA C. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2014

Distinct Structural Features of the Peroxide Response Regulator from Group A Streptococcus Drive DNA Binding

Group A streptococcus (GAS, Streptococcus pyogenes) is a strict human pathogen that causes severe, invasive diseases. GAS does not produce catalase, but has an ability to resist killing by reactive oxygen species (ROS) through novel mechanisms. The peroxide response regulator (PerR), a member of ferric uptake regulator (Fur) family, plays a key role for GAS to cope with oxidative stress by regulating the expression of multiple genes. Our previous studies have found that expression of an iron-binding protein, Dpr, is under the direct control of PerR. To elucidate the molecular interactions of PerR with its cognate promoter, we have carried out structural studies on PerR and PerR-DNA complex. By combining crystallography and small-angle X-ray scattering (SAXS), we confirmed that the determined PerR crystal structure reflects its conformation in solution. Through mutagenesis and biochemical analysis, we have identified DNA-binding residues suggesting that PerR binds to the dpr promoter at the per box through a winged-helix motif. Furthermore, we have performed SAXS analysis and resolved the molecular architecture of PerR-DNA complex, in which two 30 bp DNA fragments wrap around two PerR homodimers by interacting with the adjacent positively-charged winged-helix motifs. Overall, we provide structural insights into molecular recognition of DNA by PerR and define the hollow structural arrangement of PerR-30bpDNA complex, which displays a unique topology distinct from currently proposed DNA-binding models for Fur family regulators.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1994

Numerical investigation of supersonic turbulent boundary layers with high wall temperature

A direct numerical approach has been developed to simulate supersonic turbulent boundary layers. The mean flow quantities are obtained by solving the parabolized Reynolds-averaged Navier-Stokes equations (globally). Fluctuating quantities are computed locally with a temporal direct numerical simulation approach, in which nonparallel effects of boundary layers are partially modeled. Preliminary numerical results obtained at the free-stream Mach numbers 3, 4.5, and 6 with hot-wall conditions are presented. Approximately 5 million grid points are used in all three cases. The numerical results indicate that compressibility effects on turbulent kinetic energy, in terms of dilatational dissipation and pressure-dilatation correlation, are small. Due to the hot-wall conditions the results show significant low Reynolds number effects and large streamwise streaks. Further simulations with a bigger computational box or a cold-wall condition are desirable.

Guo, Y.↗
NASA NTRS1994

The peculiar type II supernova 1993J in M81: Transition to the nebular phase

We present optical spectra of the bright, peculiar Type II supernova 1993J in M81 spanning the first 14 months of its existence, revealing its transition to the nebular phase. Unlike the case in normal Type II supernovae, during the first 2-10 months the H-alpha emission line gradually becomes less prominent relative to other features such as (O I) lambda lambda 6300, 6364 and (Ca II) lambda lambda 7291, 7324, as we had predicted based on early-time (tau less than or approximately equal to 2 months) spectra. The nebular spectrum resembles those of the Type Ib/Ic supernovae 1985F and 1987M, although weak H-alpha emission is easily visible even at late times in SN 1993J. At tau = 8 months a close similarity is found with the spectrum of SN 1987K, the only other Type II supernova known to have undergone such a metamorphosis. The emission lines are considerably broader than those of normal Type II supernovae at comparable phases, consistent with the progenitor having lost a majority of its hydrogen envelope prior to exploding. Consequently, there is now little doubt that Type Ib, and probably Type Ic, supernovae result from core collapse in stripped, massive stars; models of the chemical evolution of galaxies in which these subtypes are ascribed to exploding white dwarfs must be appropriately modified. Although all of the emission lines in spectra of SN 1993J fade roughly exponentially for a considerable time, the fading of H-alpha begins to slow down at tau approximately = 8 months, and in the interval tau = 10-14 months its flux is constant, or even slightly rising in the wings of the line. This behavior, together with the box-like shape and great breadth (full width at half maximum (FWHM) approximately = 17 000 km/s) of the line profile, suggests that the H-alpha emission is being produced by the high-velocity outer layer of hydrogen ejecta interacting with circumstellar gas released by the progenitor prior to its explosion. A similar phenomenon has previously been seen at later phases in several Type II supernovae, most notably SN 1980K. Bumps (FWHM approximately = 1000 km/s, amplitude approximately = 20%) in the H-alpha profile are probably indicative of Rayleigh-Taylor instabilities in the cool gas behind the reverse shock. A very narrow component (unresolved, FWHM less than or approximately equal to 200 km/s) of H-alpha at the symmetric velocity of SN 1993J may instead be produced by a superposed H II region, or perhaps by recombination in a large circumstellar shell or ring that was ionized during the first few hours after outburst. In the near future the spectrum of SN 1993J should become increasingly dominated by broad H-alpha emission.

Filippenko, Alexei V.↗
DOE OSTI2016

Towards a Scalable and Adaptive Application Support Platform for Large-Scale Distributed E-Sciences in High-Performance Network Environments

The advent of large-scale collaborative scientific applications has demonstrated the potential for broad scientific communities to pool globally distributed resources to produce unprecedented data acquisition, movement, and analysis. System resources including supercomputers, data repositories, computing facilities, network infrastructures, storage systems, and display devices have been increasingly deployed at national laboratories and academic institutes. These resources are typically shared by large communities of users over Internet or dedicated networks and hence exhibit an inherent dynamic nature in their availability, accessibility, capacity, and stability. Scientific applications using either experimental facilities or computation-based simulations with various physical, chemical, climatic, and biological models feature diverse scientific workflows as simple as linear pipelines or as complex as a directed acyclic graphs, which must be executed and supported over wide-area networks with massively distributed resources. Application users oftentimes need to manually configure their computing tasks over networks in an ad hoc manner, hence significantly limiting the productivity of scientists and constraining the utilization of resources. The success of these large-scale distributed applications requires a highly adaptive and massively scalable workflow platform that provides automated and optimized computing and networking services. This project is to design and develop a generic Scientific Workflow Automation and Management Platform (SWAMP), which contains a web-based user interface specially tailored for a target application, a set of user libraries, and several easy-to-use computing and networking toolkits for application scientists to conveniently assemble, execute, monitor, and control complex computing workflows in heterogeneous high-performance network environments. SWAMP will enable the automation and management of the entire process of scientific workflows with the convenience of a few mouse clicks while hiding the implementation and technical details from end users. Particularly, we will consider two types of applications with distinct performance requirements: data-centric and service-centric applications. For data-centric applications, the main workflow task involves large-volume data generation, catalog, storage, and movement typically from supercomputers or experimental facilities to a team of geographically distributed users; while for service-centric applications, the main focus of workflow is on data archiving, preprocessing, filtering, synthesis, visualization, and other application-specific analysis. We will conduct a comprehensive comparison of existing workflow systems and choose the best suited one with open-source code, a flexible system structure, and a large user base as the starting point for our development. Based on the chosen system, we will develop and integrate new components including a black box design of computing modules, performance monitoring and prediction, and workflow optimization and reconfiguration, which are missing from existing workflow systems. A modular design for separating specification, execution, and monitoring aspects will be adopted to establish a common generic infrastructure suited for a wide spectrum of science applications. We will further design and develop efficient workflow mapping and scheduling algorithms to optimize the workflow performance in terms of minimum end-to-end delay, maximum frame rate, and highest reliability. We will develop and demonstrate the SWAMP system in a local environment, the grid network, and the 100Gpbs Advanced Network Initiative (ANI) testbed. The demonstration will target scientific applications in climate modeling and high energy physics and the functions to be demonstrated include workflow deployment, execution, steering, and reconfiguration. Throughout the project period, we will work closely with the science communities in the fields of climate modeling and high energy physics including Spallation Neutron Source (SNS) and Large Hadron Collider (LHC) projects to mature the system for production use.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Poster - 08: Preliminary Investigation into Collapsed-Cone based Dose Calculations for COMS Eye Plaques

Purpose: To investigate the accuracy of model-based dose calculations using a collapsed-cone algorithm for COMS eye plaques loaded with I-125 seeds. Methods: The Nucletron SelectSeed 130.002 I-125 seed and the 12 mm COMS eye plaque were incorporated into a research version of the Oncentra® Brachy v4.5 treatment planning system which uses the Advanced Collapsed-cone Engine (ACE) algorithm. Comparisons of TG-43 and high-accuracy ACE doses were performed for a single seed in a 30×30×30 cm{sup 3} water box, as well as with one seed in the central slot of the 12 mm COMS eye plaque. The doses along the plaque central axis (CAX) were used to calculate the carrier correction factor, T(r), and were compared to tabulated and MCNP6 simulated doses for both the SelectSeed and IsoAid IAI-125A seeds. Results: The ACE calculated dose for the single seed in water was on average within 0.62 ± 2.2% of the TG-43 dose, with the largest differences occurring near the end-welds. The ratio of ACE to TG-43 calculated doses along the CAX (T(r)) of the 12 mm COMS plaque for the SelectSeed was on average within 3.0% of previously tabulated data, and within 2.9% of the MCNP6 simulated values. The IsoAid and SelectSeed T(r) values agreed within 0.3%. Conclusions: Initial comparisons show good agreement between ACE and MC doses for a single seed in a 12 mm COMS eye plaque; more complicated scenarios are being investigated to determine the accuracy of this calculation method.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1982

Store separation from cavities at supersonic flight speeds

An experimental investigation has been conducted to determine the aerodynamic characteristics of a typical wing-control missile configuration during separation from a box-type cavity having depth to length ratios (D/L) ranging from 0.088 to 0.225. The cavity was located in a splitter plate that spanned the low Mach number test section of the Langley Unitary Plan Wind Tunnel. Aerodynamic characteristics are presented for Mach 2.36 and a free-stream unit Reynolds number of 2,000,000/ft. For the shallow cavity (D/L = 0.088), large interactions existed between the cavity and the flat plate flow field, which resulted in unfavorable separation characteristics for the missile model. For the deep cavity (D/L = 0.225), the flat plate flow field essentially bridged the cavity, resulting in minor interactions and favorable separation characteristics for the missile model.

Stallings, R. L., Jr.↗
NASA NTRS1990

Non-linear dynamic analysis of geared systems

Under driving conditions, a typical geared system may be subjected to large dynamic loads. Also, the vibration level of the geared system is directly related to the noise radiated from the gear box. The steady state dynamic behavior of the system is examined in order to design reliable and quiet transmissions. The scope is limited to a system containing a spur gear pair with backlash and periodically time varying mesh stiffness, and rolling element bearings with clearance type nonlinearities. The internal static transmission error at the gear mesh, which is of importance from high frequency noise and vibration control view point, is considered in the formulation in sinusoidal or periodic form. A dynamic finite element model of the linear time invariant (LTI) system is developed. Effects of several system parameters, such as torsional and transverse flexibilities of the shafts and prime mover/load inertias, on free and forced vibration characteristics are investigated. Several reduced order LTI models are developed and validated by comparing their eigen solutions with the finite element model results. Using the reduced order formulations, a three degree of freedom dynamic model is developed which includes nonlinearities associated with radical clearances in the radial rolling element bearings, backlash between a spur gear pair and periodically varying gear mesh stiffness. As a limiting case, a single degree of freedom model of the spur gear pair with backlash is considered and mathematical conditions for tooth separation and back collision are defined. Both digital simulation technique and analytical models such as method of harmonic balance and the method of multiple scales were used to develop the steady state frequency response characteristics for various nonlinear and/or time varying cases.

Singh, Rajendra↗