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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

The Heavy Photon Search (HPS) Software Environment

The Heavy Photon Search (HPS) is an experiment at the Thomas Jefferson National Accelerator Facility (JLab) designed to search for a hidden sector photon (A’) in fixed-target electro-production. It uses a silicon microstrip tracking and vertexing detector placed inside a dipole magnet to measure charged particle trajectories and a fast lead-tungstate crystal calorimeter located just downstream of the magnet to provide a trigger and to identify electromagnetic showers. The HPS experiment uses both invariant mass and secondary vertex signatures to search for the A’. The experimental collaboration is small and quite heterogeneous: it is composed of members of the nuclear physics as well as particle physics communities, from universities and national labs from around the US and Europe. Enabling such a disparate group to concentrate on the physics aspects of the experiment required that the software be easy to install and use, and having such limited manpower meant that existing solutions had to be exploited. HPS has successfully completed two engineering runs and completed its first physics run in the summer of 2019. We begin with an overview of the physics goals of the experiment followed by a short description of the detector design. We then describe the software tools used to design the detector layout and simulate the expected detector performance. Event reconstruction involving track, cluster and vertex finding and fitting for both simulated and real data was, to first order, adopted from existing software originally developed for Linear Collider studies. Bringing it all together into a cohesive whole involved the use of multiple software solutions with common interfaces.

Graf, Norman↗
DOE OSTI2020

Shock initiation of the HMX-based explosive PBX 9012: Experiments, uncertainty analysis, and unreacted equation-of-state

In this study, shock initiation experiments have been carried out on the polymer-bonded explosive PBX 9012 [nominally 90% octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazine (HMX), 10% vinylidene–hexafluoropropylene copolymer (Viton A) by weight] in order to provide calibration data for the explosive’s unreacted equation-of-state (EOS) and shock-to-detonation transition for reactive burn rate calibration. The input pressures covered the range of 1.86–4.43 GPa. This provided run-to-detonation depths ranging from > 22.3 mm for the lowest pressure shot to 4.91 mm at the highest pressure. The relative shock sensitivity of PBX 9012 is compared to other HMX-explosives in terms of the Pop-plot, showing that the studied explosive is more sensitive than other similar HMX-based counterparts (with notable exceptions). The uncertainty in the shock velocity determinations from the shock tracker measurements are also investigated, yielding new uncertainty measures in the generated Hugoniot data and run-to-detonation coordinates. Finally, the unreacted equation-of-state is determined using a linear U s – u p Mie–Grüneisen relation and the Davis reactants EOS analytical form, the latter being more suited for reactive burn modeling.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Semiglobal diabatic potential energy matrix for the N–H photodissociation of methylamine

We constructed an analytic diabatic potential energy matrix (DPEM) that describes the N–H photodissociation of methylamine; the electronic state space includes the ground and first excited singlet states. The input for the fit was calculated by extended multi-state complete active space second-order perturbation theory. The data were diabatized using the dipole–quadrupole diabatization method in which we incorporated a coordinate-dependent weighting scheme for the contribution of the quadrupole moments. Therefore, to make the resulting potential energy surfaces semiglobal, we extended the anchor points reactive potential method, a multiscale approach that assigns the internal coordinates to categories with different levels of computational treatment. Key aspects of the adiabatic potential energy surfaces obtained by diagonalizing the DPEM agree with the available experimental and theoretical data at energies relevant for photochemical studies.

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

Qualitative and quantitative enhancement of parameter estimation for model-based diagnostics using automatic differentiation with an application to inertial fusion

Parameter estimation using observables is a fundamental concept in the experimental sciences. Mathematical models that represent the physical processes can enable reconstructions of the experimental observables and greatly assist in parameter estimation by turning it into an optimization problem which can be solved by gradient-free or gradient-based methods. In this work, the recent rise in flexible frameworks for developing differentiable scientific computing programs is leveraged in order to dramatically accelerate data analysis of a common experimental diagnostic relevant to laser–plasma and inertial fusion experiments, Thomson scattering. A differentiable Thomson-scattering data analysis tool is developed that uses reverse-mode automatic differentiation (AD) to calculate gradients. By switching from finite differencing to reverse-mode AD, three distinct outcomes are achieved. First, gradient descent is accelerated dramatically to the extent that it enables near real-time usage in laser–plasma experiments. Second, qualitatively novel quantities which require $\mathcal{O}(10^3)$ parameters can now be included in the analysis of data which enables unprecedented measurements of small-scale laser–plasma phenomena. Third, uncertainty estimation approaches that leverage the value of the Hessian become accurate and efficient because reverse-mode AD can be used for calculating the Hessian.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Actinide signatures in low electron fraction kilonova ejecta

ABSTRACT Neutron star (NS) mergers are known to produce heavy elements through rapid neutron capture (r-process) nucleosynthesis. Actinides are expected to be created solely by the r-process in the most neutron-rich environments. Confirming if NS mergers provide the requisite conditions for actinide creation is therefore central to determining their origin in the Universe. Actinide signatures in kilonova (KN) spectra may yield an answer, provided adequate models are available in order to interpret observational data. In this study, we investigate actinide signatures in neutron-rich merger ejecta. We use three ejecta models with different compositions and radioactive power, generated by nucleosynthesis calculations using the same initial electron fraction ($Y_e = 0.15$) but with different nuclear physics inputs and thermodynamic expansion history. These are evolved from 10 to 100 d after merger using the sumo non-local thermodynamic equilibrium (NLTE) radiative transfer code. We highlight how uncertainties in nuclear properties, as well as choices in thermodynamic trajectory, may yield entirely different outputs for equal values of $Y_e$. We consider an actinide-free model and two actinide-rich models, and find that the emergent spectra and light-curve evolution are significantly different depending on the amount of actinides present, and the overall decay properties of the models. We also present potential key actinide spectral signatures, of which doubly ionized $_{89}$Ac and $_{90}$Th may be particularly interesting as spectral indicators of actinide presence in KN ejecta.

Pognan, Quentin (ORCID:0000000152550782)↗
DOE OSTI2024

Luminosity and beam-induced background studies for the Cool Copper Collider

A high-energy electron-positron collider has been widely recognized by the particle physics community to be the next crucial step for detailed studies of the Higgs boson and other fundamental particles and processes. Several proposals for such colliders, either linear or circular, are currently under evaluation. Any such collider will be required to reach high lumimosities, in order to collect enough data at a reasonable time scale, while at the same time coping with high rates of background particles produced from beam-beam interactions during the collisions. In this paper, we analyze the luminosity and beam-beam interaction characteristics of the Cool Copper Collider ( C 3 ) and perform a comparison with other linear collider proposals. We conclude that C 3 can reach the same or higher collision rates as the other proposals, without having to cope with higher beam-induced background fluxes. Thus, C 3 emerges as an attractive option for a future electron-positron collider, benefiting from the collective advancements in beam delivery and final focus system technologies developed by other linear collider initiatives. Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Measurement of diamond nucleation rates from hydrocarbons at conditions comparable to the interiors of icy giant planets

We present measurements of the nucleation rate into a diamond lattice in dynamically compressed polystyrene obtained in a pump-probe experiment using a high-energy laser system and in situ femtosecond x-ray diffraction. Different temperature-pressure conditions that occur in planetary interiors were probed. For a single shock reaching 70 GPa and 3000 K no diamond formation was observed, while with a double shock driving polystyrene to pressures around 150 GPa and temperatures around 5000 K nucleation rates between 10 29 and 10 34 m –3 s –1 were recorded. These nucleation rates do not agree with predictions of the state-of-the-art theoretical models for carbon-hydrogen mixtures by many orders of magnitude. Our data suggest that there is significant diamond formation to be expected inside icy giant planets like Neptune and Uranus.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Accelerating Scientific Workflows on HPC Platforms with In Situ Processing

Scientific workflows drive most modern large-scale science breakthroughs by allowing scientists to define their computations as a set of jobs executed in a given order based on their data dependencies. Workflow management systems (WMSs) have become key to automating scientific workflows-executing computational jobs and orchestrating data transfers between those jobs running on complex high-performance computing (HPC) platforms. Traditionally, WMSs use files to communicate between jobs: a job writes out files that are read by other jobs. However, HPC machines face a growing gap between their storage and compute capabilities. To address that concern, the scientific community has adopted a new approach called in situ, which bypasses costly parallel filesystem I/O operations with faster in-memory or in-network communications. When using in situ approaches, communication and computations can be interleaved. In this work, we leverage the Decaf in situ dataflow framework to accelerate task-based scientific workflows managed by the Pegasus WMS, by replacing file communications with faster MPI messaging. We propose a new execution engine that uses Decaf to manage communications within a sub-workflow (i.e., set of jobs) to optimize inter-job communications. We consider two workflows in this study: (i) a synthetic workflow that benchmarks and compares file- and MPI-based communication; and (ii) a realistic bioinformatics workflow that computes mu-tational overlaps in the human genome. Experiments show that in situ communication can improve the bioinformatics workflow execution time by 22% to 30% compared with file communication. Our results motivate further opportunities and challenges for bridging traditional WMSs with in situ frameworks.

Decaf↗
DOE OSTI2021

Voltage Estimation in Low-Voltage Distribution Grids with Distributed Energy Resources

Present distribution grids generally have limited sensing capabilities and are therefore characterized by low observability. Improved observability is a prerequisite for increasing the hosting capacity of distributed energy resources such as solar photovoltaics (PV) in distribution grids. In this context, this paper presents learning-aided low-voltage estimation using untapped but readily available and widely distributed sensors from cable television (CATV) networks. The cable broadband sensors offer timely local voltage magnitude sensing with 5-minute resolution and can provide an order of magnitude more data on the time-varying state of a secondary distribution system than currently deployed utility sensors. The proposed solution incorporates voltage readings from neighboring CATV sensors, taking into account spatio-temporal aspects of the observations, and estimates single-phase voltage magnitudes at all non-monitored low-voltage buses using random forests. The effectiveness of the proposed approach was demonstrated using a multi-phase 1572-bus feeder from the SMART-DS data set for two case studies passive distribution feeder (without PV) and active distribution feeder (with PV). The analysis was conducted on simulated data, and the results show voltage estimates with a high degree of accuracy, even at extremely low percentages of observable nodes.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

A Novel Variable Extensometer Method for Measuring Ductility Scaling Parameters From Single Specimens

Abstract Macro-scale ductility is not an intrinsic material property but is dependent on the overall geometry of the specimen. To account for variety in specimen geometries, multiple ductility scaling laws have been developed, which scale ductility between different specimen sizes. Traditionally, these ductility laws rely on testing multiple different specimens of varying sizes to obtain material parameters, often done by varying gauge lengths. With the use of digital image correlation (DIC), this study presents a technique where multiple different gauge lengths are extracted from a single specimen to obtain ductility scaling parameters from a single experiment. This technique provides orders of magnitude more data from each specimen than previous techniques. This variable extensometer method is then validated by testing multiple different geometries, and select scaling laws are then compared.

Mechanics↗
DOE OSTI2024

Single-neutron adding on $^{34}$S

For this work, single-neutron adding data was collected in order to determine the distribution of the single-neutron strength of the 0ƒ 7/2 , 1p 3/2 , 1p 1/2 and 0ƒ 5/2 orbitals outside of Z = 16, N = 18, 34 S. The 34 S(d,p) 35 S reaction has been measured at 8 MeV/u to investigate cross sections to excited states in 35 S. Outgoing proton yields and momenta were analyzed by the Super-Enge Split-Pole Spectrograph in conjunction with the CeBrA demonstrator located at the John D. Fox Laboratory at Florida State University. Angular distributions were compared with Distorted Wave Born Approximation calculations in order to extract single-neutron spectroscopic overlaps. Spectroscopic overlaps and strengths were determined for states in S up through 6 MeV in excitation energy. Each orbital was observed to have fragmented strength where a single level carried the majority. The single-neutron centroids of the 0ƒ 7/2 , 1p 3/2 , 1p 1/2 and 0ƒ 5/2 orbitals were determined to be 2360$^{+90}_{-40}$ keV, 3280$^{+80}_{-50}$ keV, 4780$^{+60}_{-40}$ keV, and ≳7500 keV, respectively. A previous discrepancy in the literature with respect to the distribution of the neutron 1p 1/2 strength was resolved. The integration of the normalized spectroscopic strengths, up to 5.1 MeV in excitation energy, revealed fully-vacant occupancies for the 0ƒ 7/2 , 1p 3/2 , and 1p 1/2 orbitals, as expected. The spacing in the single-neutron energies highlighted a reduction in the traditional N = 28 shell-gap, relative to both the 1p spin-orbit energy difference (N = 32) and the lower limit on the N = 34 shell spacing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

PNNL-CompBio/bayesian-inference

Bayesian Metabolic Inference is a platform to integrate genome-scale multi-omics data into an iterative method to obtain optimized recommendations for optimal target compound production. This method uses a variational inference approach to approximate new posterior data to analyze in order to obtain useful correlations and control coefficients.

Kumar, Neeraj↗
DOE OSTI2024

Variants in the MS4A cluster interact with soluble TREM2 expression on biomarkers of neuropathology

Recent evidence suggests that Alzheimer’s disease (AD) genetic risk variants (rs1582763 and rs6591561) of the MS4A locus are genome-wide significant regulators of soluble TREM2 levels such that the minor allele of the protective variant (rs1582763) is associated with higher sTREM2 and lower AD risk while the minor allele of (rs6591561) relates to lower sTREM2 and higher AD risk. Our group previously found that higher sTREM2 relates to higher Aβ 40 , worse blood–brain barrier (BBB) integrity (measured with the CSF/plasma albumin ratio), and higher CSF tau, suggesting strong associations with amyloid abundance and both BBB and neurodegeneration complicate interpretation. We expand on this work by leveraging these common variants as genetic tools to tune the interpretation of high CSF sTREM2, and by exploring the potential modifying role of these variants on the well-established associations between CSF sTREM2 as well as TREM2 transcript levels in the brain with AD neuropathology. Biomarker analyses leveraged data from the Vanderbilt Memory & Aging Project (n = 127, age = 72 ± 6.43) and were replicated in the Alzheimer’s Disease Neuroimaging Initiative (n = 399, age = 73 ± 7.39). Autopsy analyses were performed leveraging data from the Religious Orders Study and Rush Memory and Aging Project (n= 577, age = 89 ± 6.46). We found that the protective variant rs1582763 attenuated the association between CSF sTREM2 and Aβ 40 (β= -0.44, p-value= 0.017) and replicated this interaction in ADNI (β = -0.27, p = 0.017). We did not observe this same interaction effect between TREM2 mRNA levels and Aβ peptides in brain (Aβ total β = -0.14, p = 0.629; Aβ 1-38 , β = 0.11, p = 0.200). In contrast to the effects on Aβ, the minor allele of this same variant seemed to enhance the association with blood–brain barrier dysfunction (β = 7.0e-4, p = 0.009), suggesting that elevated sTREM2 may carry a much different interpretation in carriers vs. non-carriers of this allele. When evaluating the risk variant (rs6591561) across datasets, we did not observe a statistically significant interaction against any outcome in VMAP and observed opposing directions of associations in ADNI and ROS/MAP on Aβ levels. Together, our results suggest that the protective effect of rs1582763 may act by decoupling the associations between sTREM2 and amyloid abundance, providing important mechanistic insight into sTREM2 changes and highlighting the need to incorporate genetic context into the analysis of sTREM2 levels, particularly if leveraged as a clinical biomarker of disease in the future.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Digitizing Curves from LA-10860 to be Used in CritView

This report documents the digitization of figures from LA-10860-MS in order to import the data into the CritView software application. The original figures were created by Los Alamos National Laboratory and the latest revision was released in 1986. All figures were digitized using Engauge Digitizer (ver. 12.1) .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

PRO-X Research Reactor Database Status

The PRO-X Research Reactor Database is a functioning tool that can be used to quickly view attributes of past, current, and future research reactors. It contains all data found in the IAEA Research Reactor Database and entries generated from the M3 fuel conversion program. Additionally, it can be downloaded to any computer with the ability to run Microsoft ACCESS. Several research reactor attributes visible to the user have a limited amount of information, much of which is available and vetted for entry into the database. However, the necessary resources have not been allocated to add this information to the data tables. A change management system has also been developed to track changes to the database. This would need to be incorporated into the database program prior to data table modification in order to ensure proper management of the changes.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Developing and applying quantifiable metrics for diagnostic and experiment design on Z

This project applies methods in Bayesian inference and modern statistical methods to quantify the value of new experimental data, in the form of new or modified diagnostic configurations and/or experiment designs. We demonstrate experiment design methods that can be used to identify the highest priority diagnostic improvements or experimental data to obtain in order to reduce uncertainties on critical inferred experimental quantities and select the best course of action to distinguish between competing physical models. Bayesian statistics and information theory provide the foundation for developing the necessary metrics, using two high impact experimental platforms on Z as exemplars to develop and illustrate the technique. We emphasize that the general methodology is extensible to new diagnostics (provided synthetic models are available), as well as additional platforms. We also discuss initial scoping of additional applications that began development in the last year of this LDRD.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Enabling in-situ LIBS measurements of liquids and slurries

The aim of this work was to explore the use of, and further develop, a in-situ and near-real time LIBS (Laser Induced Breakdown Spectroscopy) instrument to measure liquids relevant to the Hanford site. Specifically, we investigated the feasibility of using LIBS to measure the cation composition of HLW (High Level Waste) streams. In addition, we focused on enabling continuous interrogation of those liquids using the LIBS system. For the first part, we investigated simple (sodium nitrate) solutions as well as various Hanford tank waste surrogate slurries. We showed that relevant cations (such as sodium, aluminum, magnesium, potassium) can be measured via LIBS under good conditions but the results – both quantitative and qualitative (aka reproducibility) – strongly depend on the kind and concentration of the material used. The dependence of signal intensity on concentration was also confirmed by other measurements conducted (sodium chloride and sodium nitrate in water). For the second part, we investigated the influence of varying depth and concentration of a liquid sample. We observed that for the concentrations and fill depths investigated, the liquid fill depth did not impact the emission intensity of the analyte, while concentration is confirmed to have significant effects. The results of the sample depth experiments influenced testing of waste surrogates. In addition, we focused on further developing and adapting data fitting tools in order to efficiently, accurately, and reproducibly identify the elements and materials present in a LIBS spectrum.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗