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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 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Hydrostatic pressure effect on mechanical behavior and texture evolution of Al and Brass

The effect of hydrostatic pressure on shear strength and microstructural evolution of polycrystalline FCC metals was investigated. Hydrostatic pressure of up to 5 GPa was imposed on commercial purity aluminum and 70/30 brass samples using a modified opposed-anvil apparatus (tri-anvil) that allows for measurement of shear strength in thin foil specimens. Similar to the previous investigations made in BCC metals (Ta and Mo), the shear strength of FCC metals increases significantly as the pressure rises. At 5 GPa, the shear strength of aluminum increased to 8 times its value at atmospheric pressure and 70/30 brass increased by a factor of 2.7. Here, EBSD analysis reveals an evident accumulation of dislocations in all sheared samples, with an approximately 50% decrease in grain diameter. Texture analysis suggests that, in addition to helping form selectively oriented dislocation walls, hydrostatic pressure also serves as a threshold to select certain favorable orientations in sheared metals. We propose that these hydrostatic pressure effects are intrinsically due to the excess volume associated with the cylindrical strain field of dislocation lines.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Parton distributions and lattice QCD calculations: A community white paper

In the framework of quantum chromodynamics (QCD), parton distribution functions (PDFs) quantify how the momentum and spin of a hadron are divided among its quark and gluon constituents. Two main approaches exist to determine PDFs. The first approach, based on QCD factorization theorems, realizes a QCD analysis of a suitable set of hard-scattering measurements, often using a variety of hadronic observables. The second approach, based on first-principle operator definitions of PDFs, uses lattice QCD to compute directly some PDF-related quantities, such as their moments. Motivated by recent progress in both approaches, in this paper we present an overview of lattice-QCD and global-analysis techniques used to determine unpolarized and polarized proton PDFs and their moments. We provide benchmark numbers to validate present and future lattice-QCD calculations and we illustrate how they could be used to reduce the PDF uncertainties in current unpolarized and polarized global analyses. Finally, this document represents a first step towards establishing a common language between the two communities, to foster dialogue and to further improve our knowledge of PDFs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Role of Amorphous Chains in Nanoplastic Formation from Semicrystalline Polymers

Semicrystalline polymers, e.g., polyethylene terephthalate (PET), release micro- (100 nm to 1 mm) and nanoplastics (up to 100 nm) [MNPL] when they are degraded under quiescent conditions. However, the exact molecular mechanisms leading to material fragmentation into MNPL are unknown. Here, we monitor the evolution of chain molecular weight and the MNPL production kinetics during hydrolysis of PET pellets. We find that only ~0.6% of the amorphous phase ester bonds are hydrolyzed at the onset of MNPL release. Then, by combining a random scission model with measured amorphous spacings, we estimate that only ~15% of the stress transmitters in the amorphous phase, namely, bridges and entangled loops, have failed by this point. Thus, spontaneous fragmentation of the semicrystalline nanostructure occurs despite significant intercrystalline connectivity. We resolve this apparent contradiction by proposing that fragmentation can only occur when progressive tie-chain scission causes the material to undergo the ductile/brittle transition. Mechanistically, we speculate that the internal stresses responsible for material fragmentation are caused by processing (i.e., residual stresses) and/or sample densification induced by chemi-crystallization. We discuss additional factors that may affect our analysis and thus require further investigation, such as skin-core effects, preferential degradation of stress transmitters and/or recrystallization processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Physics and chemistry from parsimonious representations: image analysis via invariant variational autoencoders

Electron, optical, and scanning probe microscopy methods are generating ever increasing volume of image data containing information on atomic and mesoscale structures and functionalities. This necessitates the development of the machine learning methods for discovery of physical and chemical phenomena from the data, such as manifestations of symmetry breaking phenomena in electron and scanning tunneling microscopy images, or variability of the nanoparticles. Variational autoencoders (VAEs) are emerging as a powerful paradigm for the unsupervised data analysis, allowing to disentangle the factors of variability and discover optimal parsimonious representation. Here, we summarize recent developments in VAEs, covering the basic principles and intuition behind the VAEs. The invariant VAEs are introduced as an approach to accommodate scale and translation invariances present in imaging data and separate known factors of variations from the ones to be discovered. We further describe the opportunities enabled by the control over VAE architecture, including conditional, semi-supervised, and joint VAEs. Several case studies of VAE applications for toy models and experimental datasets in Scanning Transmission Electron Microscopy are discussed, emphasizing the deep connection between VAE and basic physical principles. Python codes and datasets discussed in this article are available at https://github.com/saimani5/VAE-tutorials and can be used by researchers as an application guide when applying these to their own datasets.

36 MATERIALS SCIENCE↗
DOE OSTI2015

THE TURBULENCE VELOCITY POWER SPECTRUM OF NEUTRAL HYDROGEN IN THE SMALL MAGELLANIC CLOUD

We present the results of the Velocity Coordinate Spectrum (VCS) technique to calculate the velocity power spectrum of turbulence in the Small Magellanic Cloud (SMC) in 21 cm emission. We present an updated version of the VCS technique that takes into account regular motions, which is an important factor in our SMC VCS analysis. We have obtained a velocity spectral index of −3.85, a cold phase sonic Mach number of 5.6, and an injection scale of 2.3 kpc. The spectral index is steeper than the Kolmogorov index, which is expected for shock-dominated turbulence. The injection scale of 2.3 kpc suggests that HI supershells or tidal interactions with the Large Magellanic Cloud are the dominant drivers of turbulence in this dwarf galaxy. This implies that turbulence may be driven by multiple mechanisms in galaxies and that galaxy–galaxy interactions may play an important role in addition to supernova feedback.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Effects of primordial black holes on IGM history

Currently the asteroid mass window (mass ∼ 10$^{17}$- 10$^{21}$ grams) remains unconstrained for Primordial Black Holes (PBHs) to make up all of the dark matter content of the universe. Given these PBHs have very small masses, their Hawking temperature can be up to hundreds of keV. This study investigates the potential impacts of PBH Hawking radiation on the intergalactic medium from z ∼ 800-25, namely studying the ionization history, kinetic gas temperature, and ultimately the 21 cm signature. We find that for masses on the low edge of the asteroid mass window, there are up two orders of magnitude increases in the ionization fraction and kinetic gas temperature by redshift 25, and the 21 cm spin temperature can differ from non-PBH cosmology by factors of a few. This analysis results in maximum differential brightness temperatures of +17 mK for our lightest PBH masses of 2.12 × 10$^{16}$g. We also show maximal 53 mK discrepancies in differential brightness temperatures between our PBH and non-PBH cosmologies for our lightest PBH mass, while our heaviest PBH mass of 1.65 × 10$^{17}$g shows only 0.5 mK variations. We find the Hawking-radiated electrons and positrons are instrumental in driving these IGM modifications. This study shows the necessity for a rigorous treatment of Hawking radiation in PBH cosmological observables from the dark ages through cosmic dawn.

dark matter theory↗
DOE OSTI2017

Performance of GeantV EM Physics Models

The recent progress in parallel hardware architectures with deeper vector pipelines or many-cores technologies brings opportunities for HEP experiments to take advantage of SIMD and SIMT computing models. Launched in 2013, the GeantV project studies performance gains in propagating multiple particles in parallel, improving instruction throughput and data locality in HEP event simulation on modern parallel hardware architecture. Due to the complexity of geometry description and physics algorithms of a typical HEP application, performance analysis is indispensable in identifying factors limiting parallel execution. In this report, we will present design considerations and preliminary computing performance of GeantV physics models on coprocessors (Intel Xeon Phi and NVidia GPUs) as well as on mainstream CPUs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

The cross-section measurement for the 3 H($e, e'K^+)nnΛ$ reaction

The small binding energy of the hypertriton leads to predictions of the non-existence of bound hypernuclei for isotriplet three-body systems such as nnΛ. However, invariant mass spectroscopy at GSI has reported events that may be interpreted as the bound nnΛ state. The nnΛ state was sought by missing-mass spectroscopy via the (e, e'K + ) reaction at Jefferson Lab’s experimental Hall A. The present experiment has higher sensitivity to the nnΛ-state investigation in terms of better precision by a factor of about three. The analysis shown in this article focuses on the derivation of the reaction cross-section for the 3 H(γ*, K + )X reaction. Events that were detected in an acceptance, where a Monte Carlo simulation could reproduce the data well (|δp/p| < 4%), were analyzed to minimize the systematic uncertainty. No significant structures were observed with the acceptance cuts, and the upper limits of the production cross-section of the nnΛ state were obtained to be 21 and $31 nbsr -1 at the 90% confidence level when theoretical predictions of (-B Λ , Γ) = (0.25, 0.8) MeV and (0.55, 4.7) MeV, respectively, were assumed. The cross-section result provides valuable information for examining the existence of nnΛ.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Correlation between temperature variations of static and dynamic properties in glass-forming liquids

In this detailed analysis of the static structure factor S(Q) in several glass-forming liquids we show that the temperature variations of the width of the main diffraction peak Q(T ) correlate with the fragility of these liquids. Our observation suggests a direct connection between rather subtle structural changes and sharp slowing down of structural relaxation in glass-forming liquids. We also show that this observation can be rationalized using the Adam-Gibbs approach, through a connection between temperature variations of structural correlation length, lc 2 /Q, and the size of cooperatively rearranging regions.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Isomeric states in the neutron-rich 𝑁 = 108 nuclei 178 Yb and 179 Lu

A multinucleon transfer reaction with a 136 Xe beam and a gold-backed 176 Yb target populated isomers in N = 108 178 Yb and 179 Lu. The single decay from the t 1/2 = 203(16) ns isomer in 178 Yb to the I π = 4 + level in the ground-state band suggests a I π = 4 − assignment, and multiquasiparticle calculations associate this state with the K π = 4 − , ν 2 (1/2[510], 9/2[624]) configuration. At least two isomers were observed in 179 Lu. One likely couples the K π = 4 − configuration found in 178 Yb to the 9/2[514] quasiproton orbital to form a K π = 17/2 + level (t 1/2 = 1.0(4) µs) which primarily decays into the rotational band based on the 9/2[514] state. A second isomer was observed to decay into this same band, but at higher energy and spin. Based on its feeding pattern, its similarity to an isomer found in 181 Ta, and a multiquasiparticle calculation, it is proposed to correspond to a K π = 29/2 − state based on the π9/2[514]ν 2 (9/2[624], 11/2[615]) configuration. As a result, an analysis of the reduced hindrance factors for negative-parity, two-quasineutron isomers in the rare-earth region is presented as well.

150 ≤ A ≤ 189↗
DOE OSTI2024

Toward a Holistic Performance Evaluation of Large Language Models Across Diverse AI Accelerators

Artificial intelligence (AI) methods have become critical in scientific applications to help accelerate scientific discovery. Large language models (LLMs) are being considered a promising approach to address some challenging problems because of their superior generalization capabilities across domains. The effectiveness of the models and the accuracy of the applications are contingent upon their efficient execution on the underlying hardware infrastructure. Specialized Al accelerator hardware systems have recently become available for accelerating Al applications. However, the comparative performance of these AI accelerators on large language models has not been previously studied. In this paper, we systematically study LLMs on multiple AI accelerators and GPUs and evaluate their performance characteristics for these models. We evaluate these systems with (i) a micro-benchmark using a core transformer block, (ii) a GPT-2 model, and (iii) an 1,I,M-driven science use case, GenSLM. We present our findings and analyses of the models' performance to better understand the intrinsic capabilities of AI accelerators. Furthermore, our analysis takes into account key factors such as sequence lengths, scaling behavior, and sensitivity to gradient accumulation steps.

Emani, Murali↗
DOE OSTI2024

Cy-Phy ADS: Cyber Physical Anomaly Detection Framework for EV Charging Systems

Today’s large-scale Electric Vehicle (EV) infrastructures are heavily dependent on information communication technologies to maintain their operation and to support communication within sub-system components as well as the outside world. These technologies are vulnerable to various cyber and physical threats. Timely identification and mitigation of these threats are critical for improving human safety, avoiding economic losses, and preventing catastrophic system failures. By addressing this, our work presents a ResNet Autoencoder (AE) based Cyber-Physical Anomaly Detection System (Cy-Phy ADS) for detecting anomalies in EV Controller Area Network (CAN) protocol communication. It consists of four main components: Cyber-Physical Feature Extractor, ResNet AE-based Anomaly Detection Framework, Cyber-Physical Health Metric (CPHM), and Visualization Dashboard. The presented framework was trained and tested using CAN data collected from the EV charging system testbed at the Idaho National Laboratory. The presented Cy-Phy ADS compared against six widely used unsupervised anomaly detection algorithms: One Class Support Vector Machine (OCSVM), Variational Autoencoder (VAE), LSTM Autoencoder (LSTM AE), Isolation Forest (IForest), Principle Component Analysis (PCA) and Local Outlier Factor (LOF). Here the presented approach showed the highest accuracy among the compared methods. Further, the proposed approach showed comparable performance in terms of precision, F1, and False positive rate. It also showed the lowest training and inference time compared to the neural network-based baseline algorithms compared against with. Additionally, the Cy-Phy ADS has advantages such as unsupervised training, the ability to provide a holistic metric for system health characterization, and non-linear feature extraction.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2017

ShiftNMFk 1.2

The ShiftNMFk1.2 code, or as we call it, GreenNMFk, represents a hybrid algorithm combining unsupervised adaptive machine learning and Green's function inverse method. GreenNMFk allows an efficient and high performance de-mixing and feature extraction of a multitude of nonnegative signals that change their shape propagating through the medium. The signals are mixed and recorded by a network of uncorrelated sensors. The code couples Non-negative Matrix Factorization (NMF) and inverse-analysis Green's functions method. GreenNMF synergistically performs decomposition of the recorded mixtures, finds the number of the unknown sources and uses the Green's function of the governing partial differential equation to identify the unknown sources and their charecteristics. GreenNMF can be applied directly to any problem controlled by a known partial-differential parabolic equation where mixtures of an unknown number of sources are measured at multiple locations. Full GreenNMFk method is a subject LANL U.S. Patent application S133364.000 August, 2017. The ShiftNMFk 1.2 version here is a toy version of this method that can work with a limited number of unknown sources (4 or less).

Alexandrov, BoianS.↗
DOE OSTI2024

Preliminary Study of Iodine Gas Removal in Sodium Pools

Potential iodine gas release from failed fuel pins is a critical factor in the source term analysis of oxide fuel-loaded sodium fast reactors (SFRs). The accumulated iodine-containing gas mixtures inside pin plenums are expected to be ejected during pin failures and rise through sodium pool, with potential release of gaseous iodine to the cover gas region. Due to its potential radiological impacts, a proper assessment of iodine behavior is necessary for an accurate source term assessment. Throughout the bubble rise trajectory in the sodium pool, iodine gas is continuously removed or transformed at the bubble interface by diffusion, as the combining reaction between the iodine and sodium to form sodium iodide (NaI) is a chemically preferred process. As the final amount of iodine released from the facility is strongly influenced by the removal phenomenon inside the sodium pool, experiments were previously performed by PNC (Power Reactor and Nuclear Fuel Development Corporation) to provide insight into this phenomenon. To assess the accuracy of present methods for predicting iodine gas removal within sodium pools, several candidate approaches, available in source term analysis codes, have been summarized and evaluated in this study. Spherical cap bubbles and spherical bubbles are considered in accordance with the methods adopted in each approach, and different forms of correlations for major parameters have been implemented in accordance with the original adoptions. Based on the summarized results, important aspects to be considered have been derived.

Decontamination↗
DOE OSTI2018

Optimisation of curvilinear external shading of windows in cellular offices

Shading of windows influences building cooling and heating loads through control of solar heat gains, and lighting load through access to available daylight. Shading shape thus presents an important factor both in building energy analysis and building aesthetics. Curvilinearity of solar paths suggests that the optimal shading shape may be curvilinear as well, and our aim here is to test this expectation. To accommodate curvilinearity of shading shape, outer edges of shading, which consists of overhang, western and eastern fins, are modeled as non-uniform rational basis spline (NURBS) curves, a widely accepted representation standard for curves in design industry. As a case study, a cellular office is considered in the Pacific Northwest National Laboratory (PNNL) office building model, with its overhang lined up by seven control points, and the fins lined up by five control points each, with two ending control points joint for the overhang and the fins. With control points allowed to take on nine different alternative depths, genetic optimisation is employed for 16 representative USA climates with respect to total equivalent source energy for heating, cooling and lighting loads. The main finding is that in a very close proximity to optimal shadings found by genetic optimisation there exist shadings with much simpler control point structure, obtained by identifying depths of successive control points, that have nearly rectangular overhangs. Since the difference between these simpler shadings and the optimal ones is less than 0.24%, this partially rejects the expectation that the optimal shading shape should be curvilinear. Structure of these near-optimal shadings also suggests a new way to partition shadings into independent regions: the lower and the upper parts of the western fin, joints of the overhang with the western and the eastern fin, the interior part of the overhang and the rest of the eastern fin.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Crystal structure of the Arabidopsis SPIRAL2 C-terminal domain reveals a p80-Katanin-like domain

Epidermal cells of dark-grown plant seedlings reorient their cortical microtubule arrays in response to blue light from a net lateral orientation to a net longitudinal orientation with respect to the long axis of cells. The molecular mechanism underlying this microtubule array reorientation involves katanin, a microtubule severing enzyme, and a plant-specific microtubule associated protein called SPIRAL2. Katanin preferentially severs longitudinal microtubules, generating seeds that amplify the longitudinal array. Upon severing, SPIRAL2 binds nascent microtubule minus ends and limits their dynamics, thereby stabilizing the longitudinal array while the lateral array undergoes net depolymerization. To date, no experimental structural information is available for SPIRAL2 to help inform its mechanism. To gain insight into SPIRAL2 structure and function, we determined a 1.8 Å resolution crystal structure of the Arabidopsis thaliana SPIRAL2 C-terminal domain. The domain is composed of seven core α-helices, arranged in an α-solenoid. Amino-acid sequence conservation maps primarily to one face of the domain involving helices α1, α3, α5, and an extended loop, the α6-α7 loop. The domain fold is similar to, yet structurally distinct from the C-terminal domain of Ge-1 (an mRNA decapping complex factor involved in P-body localization) and, surprisingly, the C-terminal domain of the katanin p80 regulatory subunit. The katanin p80 C-terminal domain heterodimerizes with the MIT domain of the katanin p60 catalytic subunit, and in metazoans, binds the microtubule minus-end factors CAMSAP3 and ASPM. Structural analysis predicts that SPIRAL2 does not engage katanin p60 in a mode homologous to katanin p80. The SPIRAL2 structure highlights an interesting evolutionary convergence of domain architecture and microtubule minus-end localization between SPIRAL2 and katanin complexes, and establishes a foundation upon which structure-function analysis can be conducted to elucidate the role of this domain in the regulation of plant microtubule arrays.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

The Association of Radiation Exposure with Stable Chromosome Aberrations in Atomic Bomb Survivors Based on DS02R1 Dosimetry and FISH Methods

The frequency of stable chromosome aberrations (sCA) in lymphocytes is a recognized radiation biological dosimeter. Its analysis can provide insights into factors that affect individual susceptibility as well as into the adequacy of radiation dose estimates used in studies of atomic bomb survivors. We analyzed the relationship between atomic bomb radiation exposure using the most recent DS02R1 dose estimates and the frequency of sCA as determined by FISH in 1,868 atomic bomb survivors. We investigated factors that may affect the background sCA rate and the shape and magnitude of the dose response. As in previous analyses of sCA in atomic bomb survivors that were based on Giemsa staining methods and used older DS86 dose estimates, the relationship between radiation dose and sCA rate was significant (P < 0.0001) with a linear-quadratic relationship at lower doses that did not persist at higher doses. As before, age at the time of the bombing and type of radiation shielding were significant dose-effect modifiers (P < 0.0001), but in contrast the difference in dose response by city was not so pronounced (P = 0.026) with a city effect not evident at doses below 1.25Gy. Background sCA rate increased with age at the time of examination (P < 0.0001), but neither sex, city, nor smoking was significantly associated with background rate. Based on FISH methods and recent dosimetry, the relationship between radiation dose and sCA frequency is largely consistent with previous findings, although the lesser importance of city as an effect modifier may reflect better dosimetry as well as more reproducible scoring of sCA. The persisting difference in sCA dose response by shielding category points to remaining problems with the accuracy or precision of radiation dose estimates in some A-bomb survivors.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

Irradiation Experiment Design Parameters for NBSR Fuel Conversion

It has been proposed to convert the National Institute of Standards and Technology research reactor, known as the NBSR, from high-enriched uranium (HEU) fuel to low-enriched uranium (LEU) fuel. The motivation to convert the NBSR to LEU fuel is to reduce the risk of proliferation of special nuclear material. This report is a compilation of relevant information from recent studies related to the proposed conversion using a metal alloy of LEU with 10 w/o molybdenum. The objective is to inform the design of irradiation experiments that are being planned. This report provides relevant dimensions of the fuel elements, and average and maximum fission rate densities and fission densities. The latter profiles are given for different plates to show the variation throughout the core. A summary of the methodology to obtain these results is presented. Fuel element tolerance assumptions and hot channel factors used in the safety analysis are also given.

42 ENGINEERING↗