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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 OSTI2019

Developing a Macro-scale SiC-cladding Behavior Model Based on Localized Mechanical and Thermal Property Evaluation on Pre- and Post-Irradiation SiC-SiC Composites (Final Report)

Silicon carbide is being investigated for accident tolerant fuel cladding applications due to its good neutronic performance, high temperature strength, exceptional stability under irradiation, and reduced oxidation compared to Zircaloy under accident conditions. The development and investigation of these materials is particularly important in the light of the Fukushima event and subsequent emphasis in DOE on accident tolerant fuel (ATF) concepts. In this work, we propose to develop and improve upon existing small-scale mechanical and thermal characterization methods, including micro-cantilever bend tests and fiber push-out tests, and time-domain thermo-reflectance measurements. These techniques will be applied to evaluate micro-scale properties of SiC-SiC composite constituents (matrix, fibers, interphase). The results will be coupled with meso-scale fiber and void structural information and be used as input to develop a comprehensive, finite element-based model based on constituent properties. The goal of this multi-scale model is to be used to predict anisotropic mechanical and thermal cladding behaviors. The model will be benchmarked against measurements of bulk properties and validated for radiation-damaged materials by utilizing irradiated SiC-SiC composites available from General Atomics. The characterization approach developed under this program will have particular application in the property prediction of reactor irradiated materials, as only small volumes need to be tested, minimizing associated hazards and costs. The micro-scale test methods developed here will be used along with meso-scale structural data to inform a finite element model of the full SiC-based cladding system. This model will capture fabrication and irradiation effects and importantly include for the first-time separate material data for each system component. The incorporation of these micro-scale effects will lead to a more accurate model of SiC-SiC composite behavior, enabling further advancements in the development and design of SiC-based materials for improved fuel cladding performance. The aim of this work is to develop advanced localized material characterization techniques to directly measure mechanical and thermal properties of the individual constituents of SiC-based claddings at the relevant micro-scale. SiC-SiC composites will be evaluated before and after irradiation and these results will be coupled with macro-scale properties and microstructural information in order to provide the input parameters for a comprehensive finite element model, which will be developed in this program.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

Dark matter search in a Beam-Dump eXperiment (BDX) at Jefferson Lab (2018 update to PR12-16-001)

This document complements and completes what was submitted last year to PAC45 as an update to the proposal PR12-16-001 "Dark matter search in a Beam-Dump eXperiment (BDX)" at Jefferson Lab submitted to JLab-PAC44 in 2016. Following the suggestions contained in the PAC45 report, in coordination with the lab, we ran a test to assess the beam-related backgrounds and validate the simulation framework used to design the BDX experiment. Using a common Monte Carlo framework for the test and the proposed experiment, we optimized the selection cuts to maximize the reach considering simultaneously the signal, cosmic-ray background (assessed in Catania test with BDX-Proto) and beam-related backgrounds (irreducible NC and CC neutrino interactions as determined by simulation). Our results confirmed what was presented in the original proposal: with 285 days of a parasitic run at 65 $\mu$A (corresponding to $10^{22}$ EOT) the BDX experiment will lower the exclusion limits in the case of no signal by one to two orders of magnitude in the parameter space of dark-matter coupling versus mass.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Gamma mirrors Quarterly Progress Report Y1Q4 FY2019

During the fourth quarter of FY19, we completed task 1.2 of Phase 1, the data analysis of the experimental campaign conducted at the Irradiated Fuel Examination Laboratory (IFEL) at ORNL. The best part of the analysis was conducted during the third quarter and the relevant findings can be found in the FY19 Q3 report. Phase II of the project was started during the month of September, more specifically Task 2. All experiments so far were conducted with ultrasmooth flat optics with a periodic multilayer coating with reflectivity of >80% in the 100 keV range. We have been determining the best available simulation tools to model X-ray focusing optics, typically made of quadratic surfaces, in order to survey the relevant parameter space and conduct the design study. Candidate focusing optics designs are Wolter I optics, Kirkpatrick-Baez or KB optics and Schmidt optics. Informed by the IFEL results, we are also considering a single-reflection concentrator design to attempt to quantify possible trade-off between bandpass multilayers overall reflectivity, multiple reflections and energy selectivity.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2020

Using the Carbon Capture Simulation Initiative (CCSI) Tool to Design the Experiments in the Parametric Campaign of a Novel Compact Absorber for Carbon Capture

Gas absorption towers with structured packing and solvent have been used for Carbon Dioxide (CO 2 ) Capture for about many decades. To overcome process limitations and practical disadvantages for CO 2 capture from the stationary emitter (e.g. NG and coal power plant), many new designs have been proposed and explored at the various scales in the last decade with aim of either low energy penalty or low capital cost. To reduce the size of the absorption tower and hence the total cost of CO 2 capture, the University of Kentucky Center for Applied Energy Research Center (UK CAER) has designed and built a novel CO 2 capture absorption tower or Compact Absorber, integrated into an existing large-bench scale CO 2 capture unit. The Compact Absorber has three sections. The top of the column is a fogging section where the solvent is sprayed through a nozzle producing droplets flowing downward in a co-current fashion with the flue gas. The center of the column is a frothing section where the solvent and flue gas flow through regenerative frothing screens designed by Industrial Climate Solutions, Inc. The bottom of the column is a typical structured packing section were the flue gas and solvent flow in a counter-current fashion. The parametric campaign will be conducted in order to optimize the operating parameters for CO 2 capture including liquid/gas ratio, lean loading, and temperature, liquid residence time. A simulated flue gas with 14% CO 2 will be used along with a UK CAER developed proprietary solvent. The 100-hour parametric campaign is designed using a statistical approach of the Sequential Design of Experiments (sDOE). sDOE is one of the CCSI tools that provides an adaptive statistical approach for designing future experiments based on the results of previous experiments. Application of a typical DOE provides the user with the minimum number of experiments required to get the same data, but sDOE allows the user to make an informed choice of experiments based on the results of previous experiments. The complete absorption column has been constructed and has been partially commissioned. Initial data has been collected by operating using the fogging section and the frothing section. The fogging section produces solvent droplets of about 100 μm sauter mean diameter and as small as 25 μm using a hydraulic nozzle by BETE. The frothing section produces bubbles of about 5mm with high mixing of solvent promoting the higher mass transfer from gas to liquid. The absorber reaches the capture efficiency of about 50% with only two sections in operation. Based on the current results, it can be deduced that increasing the solvent feed temperature and including the packed section for absorption the capture efficiency will increase further. Initial data will be collected using all three sections of the absorber and will be used for sDOE. Non-Uniform Space Filling model of sDOE will be used to prioritize the input conditions resulting into maximum capture efficiency. sDOE is performed using the platform called Framework Optimization, Quantification of Uncertainty, and Surrogates (FOQUS). The method and results demonstrating the progress of the parametric campaign from the initial set of experiments to the final stage of obtaining optimized parameters using sDOE tool will be presented in detail.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2020

Selecting Charged Current Muon Neutrino Interactions on Argon with the Short-Baseline Near Detector

The uncertainties associated with neutrino-nucleus cross section modelling need to be reduced in order to measure neutrino oscillation parameters, the mass hierarchy and CP violation to a high degree of precision. SBND, a 112 ton liquid argon time projection chamber, will be the near detector of the short-baseline neutrino program at Fermilab. Once data taking begins in 2022, it will provide flux constraints for sterile neutrino searches and produce world leading neutrino-argon cross sections with up to seven million neutrino events in three years. This thesis describes the simulation, calibration and reconstruction tools developed to measure charged current muon neutrino interactions.Backgrounds from cosmic ray muons, neutrino interactions outside of the detector and different neutrino interaction channels were identified and removed as part of this process.The signal events were selected with purity of 90% and an efficiency of 67%, providing a strong starting point for meas urements of exclusive channels. The expected statistical and systematic uncertainties on rate predictions and cross section measurements at the full 6.6×10$^{20}$ proton on target exposure were evaluated.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

High-throughput native mass spectrometry as experimental validation for in silico drug design

In this project, we developed automated workflows for both experimental validation and computational prediction of protein-ligand interactions. The ultimate goal is to establish an integrated pipeline for high throughput design of inhibitors to enzymes relevant to all areas of biological research. Our experimental approach is based on native mass spectrometry (native MS), which measures accurate masses and quantify the relative abundance of protein-ligand complexes to define binding affinity. We set up an in-house built autosampler with highly flexible configurations to minimize the manual steps for high throughput native MS. In parallel, we also performed manual native MS to characterize the binding of substrates and inhibitors of SARS-Cov-2 nonstructural protein nsp10/16 in order to optimize the experimental parameters for future automation. On the computational side, we streamlined the pipeline to achieve minimal manual intervention for predicting enzyme inhibitors via simulation, using the same nsp10/16 system as an example. Using the native MS method we examined 8 top-ranked designed compounds, 2 of which showed weak binding of ~50 µM. The information from native MS experiment provided critical insights and the foundation for a fully integrated workflow for enzyme inhibitor design.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Assessment of the literature about Be-W mixed material layer formation in the fusion reactor environment

All plasma facing surfaces in a fusion reactor, whether initially pure or an alloy, will rapidly evolve into a mixed material due to plasma-induced erosion, migration and redeposition. Beryllium (Be) erosion from the main chamber, and its transport and deposition on to a tungsten (W) divertor results in the growth of mixed Be-W layers, which can evolve to form beryllides. These Be-W mixed materials exhibit generally less desirable properties than pure tungsten or pure beryllium, such as lower melting points. In order to better understand the parameter space for growth of these alloys, this paper reviews the literature on Be-W mixed material formation experiments—in magnetically confined fusion reactors, in linear plasma test stands, and during thin-film deposition—and on computational modeling of Be-W interactions, as well as briefly assesses the Be-W growth kinetics. We conclude that the following kinetic steps drive the material mixing: adsorption of the implanted/deposited ion on the metal surface; diffusion of the implanted/deposited ion from surface into the bulk, which is accelerated by defects; and loss of deposited material through erosion. Adsorption dominates (or prevents) material mixing in thin-film deposition experiments, whereas diffusion drives material mixing in plasma exposures due to the energetic ion implantation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

FY2016 ILAW glass SPFT testing for disposal at IDF

In the present work a full suite of SPFT tests was performed on a single high waste loading LAW glass (IDF7-E12) in order to determine kinetic law parameters for that glass.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Studying electroweak few-body observables in chiral effective field theory

The use of nuclei to study electroweak probes is becoming increasingly relevant experimentally. The success of dark matter and neutrino experiments strongly depends on the ability to control nuclear effects in order to extract the fundamental parameters associated with external probes. Therefore, reliable theoretical calculations of nuclear structure and reactions, with well-controlled errors, are crucial for the success of experimental efforts. Currently, chiral effective field theory ($\chi$EFT) coupled with {\it ab-initio} methods represents one of the best approaches that fulfills these requirements. To use this approach as a tool for studying fundamental physics, it is essential to validate it against experimental data for which the calculations are well under control, such as the elastic scattering of electrons on nuclei. In this proceeding, I will present recent developments in the fitting of electromagnetic currents derived using $\chi$EFT and the calculation of electromagnetic form factors of light nuclei. The results of these calculations demonstrate the strength of the theory in describing the interaction of nuclei with electromagnetic probes over a broad range of momentum transfers and highlight the robustness of $\chi$EFT for analyzing future experimental data aimed at extracting fundamental parameters.

Gnech, Alex [Old Dominion Univ., Norfolk, VA (Unit↗
DOE OSTI2022

Fed-DeepONet: Stochastic Gradient-Based Federated Training of Deep Operator Networks

The Deep Operator Network (DeepONet) framework is a different class of neural network architecture that one trains to learn nonlinear operators, i.e., mappings between infinite-dimensional spaces. Traditionally, DeepONets are trained using a centralized strategy that requires transferring the training data to a centralized location. Such a strategy, however, limits our ability to secure data privacy or use high-performance distributed/parallel computing platforms. To alleviate such limitations, in this paper, we study the federated training of DeepONets for the first time. That is, we develop a framework, which we refer to as Fed-DeepONet, that allows multiple clients to train DeepONets collaboratively under the coordination of a centralized server. To achieve Fed-DeepONets, we propose an efficient stochastic gradient-based algorithm that enables the distributed optimization of the DeepONet parameters by averaging first-order estimates of the DeepONet loss gradient. Then, to accelerate the training convergence of Fed-DeepONets, we propose a moment-enhanced (i.e., adaptive) stochastic gradient-based strategy. Finally, we verify the performance of Fed-DeepONet by learning, for different configurations of the number of clients and fractions of available clients, (i) the solution operator of a gravity pendulum and (ii) the dynamic response of a parametric library of pendulums.

Moya, Christian↗
DOE OSTI2024

Frank–Kasper Phases of Diblock Copolymer Melts: Self-Consistent Field Results of Two Commonly Used Models

We constructed phase diagrams of conformationally asymmetric diblock copolymer A-B melts using the polymer self-consistent field (SCF) calculations of both the dissipative particle dynamics chain (DPDC) model (i.e., compressible melts of discrete Gaussian chains with the DPD non-bonded potential) and the “standard” model (i.e., incompressible melts of continuous Gaussian chains with the Dirac δ-function non-bonded potential) in the χN-ε plane, where χN and ε characterize, respectively, the repulsion and conformational asymmetry between the A and B blocks, at the A-block volume fraction f = 0.2 and 0.3. Consistent with previous SCF calculations of the “standard” model, σ and A15 are the only stable Frank–Kasper (FK) phases among the five FK (i.e., σ, A15, C14, C15 and Z) phases considered. The stability of σ and A15 is due to their delicate balance between the energetic and entropic contributions to the Helmholtz free energy per chain of the system, which, within our parameter range, increases in the order of σ/A15, Z, and C14/C15. While in general the SCF phase diagrams of these two models are qualitatively consistent, A15 is not stable for the DPDC model at the copolymer chain length N = 10 and f = 0.3; any differences in the SCF phase diagrams are solely due to the differences between these two models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

A New Two-fluid Radiation-hydrodynamical Model for X-Ray Pulsar Accretion Columns

Previous research centered on the hydrodynamics in X-ray pulsar accretion columns has largely focused on the single-fluid model, in which the super-Eddington luminosity inside the column decelerates the flow to rest at the stellar surface. This type of model has been relatively successful in describing the overall properties of the accretion flows, but it does not account for the possible dynamical effect of the gas pressure. On the other hand, the most successful radiative transport models for pulsars generally do not include a rigorous treatment of the dynamical structure of the column, instead assuming an ad hoc velocity profile. In this paper, we explore the structure of X-ray pulsar accretion columns using a new, self-consistent, “two-fluid” model, which incorporates the dynamical effect of the gas and radiation pressures, the dipole variation of the magnetic field, the thermodynamic effect of all of the relevant coupling and cooling processes, and a rigorous set of physical boundary conditions. The model has six free parameters, which we vary in order to approximately fit the phase-averaged spectra in Her X-1, Cen X-3, and LMC X-4. In this paper, we focus on the dynamical results, which shed new light on the surface magnetic field strength, the inclination of the magnetic field axis relative to the rotation axis, the relative importance of gas and radiation pressures, and the radial variation of the ion, electron, and inverse-Compton temperatures. The results obtained for the X-ray spectra are presented in a separate paper.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

New Light on Dark Extended Lenses with the Roman Space Telescope

Abstract The Roman Space Telescope’s Galactic Bulge Time Domain Survey will constitute the most sensitive microlensing survey of the Galactic bulge to date, opening up new opportunities to search for dark matter (DM). Many extensions of the Standard Model predict the formation of extended DM substructures, such as DM subhalos, boson/axion stars, and halo-dressed primordial black holes. We demonstrate that for such targets, Roman will be sensitive to a broad parameter space up to 4 orders of magnitude below existing constraints. Our analysis can be readily applied to other extended DM configurations as well.

Astronomy & Astrophysics↗
DOE OSTI2021

Biochar alters hydraulic conductivity and impacts nutrient leaching in two agricultural soils

Biochar is purported to provide agricultural benefits when added to the soil, through changes in saturated hydraulic conductivity (K sat ) and increased nutrient retention through chemical or physical means. Despite increased interest and investigation, there remains uncertainty regarding the ability of biochar to deliver these agronomic benefits due to differences in biochar feedstock, production method, production temperature, and soil texture. In this project, a suite of experiments was carried out using biochars of diverse feedstocks and production temperatures, in order to determine the biochar parameters which may optimize agricultural benefits. Sorption experiments were performed with seven distinct biochars to determine sorption efficiencies for ammonium and nitrate. Only one biochar effectively retained nitrate, while all biochars bound ammonium. The three biochars with the highest binding capacities (produced from almond shell at 500 and 800 °C (AS500 and AS800) and softwood at 500 °C (SW500)) were chosen for column experiments. Biochars were amended to a sandy loam and a silt loam at 0 % and 2 % (w/w), and K sat was measured. Biochars reduced K sat in both soils by 64 %–80 %, with the exception of AS800, which increased K sat by 98 % in the silt loam. Breakthrough curves for nitrate and ammonium, as well as leachate nutrient concentration, were also measured in the sandy loam columns. All biochars significantly decreased the quantity of ammonium in the leachate, by 22 % to 78 %, and slowed its movement through the soil profile. Ammonium retention was linked to high cation exchange capacity and a high oxygen-to-carbon ratio, indicating that the primary control of ammonium retention in biochar-amended soils is the chemical affinity between biochar surfaces and ammonium. Biochars had little to no effect on the timing of nitrate release, and only SW500 decreased total quantity, by 27 % to 36 %. The ability of biochar to retain nitrate may be linked to high micropore specific surface area, suggesting a physical entrapment rather than a chemical binding. Together, this work sheds new light on the combined chemical and physical means by which biochar may alter soils to impact nutrient leaching and hydraulic conductivity for agricultural production.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1973

Minimal hardware, binary sequence pseudonoise generator and detector

General purpose sequence generator which includes 35-stage field shift register determines mathematical properties of polynomials such as divisibility, period, order of roots, and other parameters that effect desirability of various sequences for specific applications; for example, irreducible polynomials which characterize sequences with randomness properties.

Perlman, M.↗
NASA NTRS1972

Incomplete state feedback for systems with parameter uncertainty and random disturbances

A unified design philosophy is presented for limited state feedback control problems with parameter uncertainty for both deterministic and stochastic problems. Two approaches are considered: linear compensator for the deterministic problem with parameter uncertainty, and for the single input-single output system with parameter uncertainty, a model on order equal to that of the system less the number of zeroes. The limitations of these approaches are discussed along with suggestions for further research.

Basuthakur, S.↗
NASA NTRS1973

Classical trajectory study of the K + CH3I reaction

Potential surfaces for the system K+IR were considered, taking into account a covalent surface, an ionic surface, the overall potential, and a comparison of a modified Bunker-Blais and a hybrid covalent-ionic potential of the electron-jump type. The Lagrange equations were solved as a system of second-order differential equations. The impact parameter, angular, and energy dependences of the product distributions for the nonreactive, reactive, and dissociative scattering were studied.

Labudde, R. A.↗
NASA NTRS1974

Theory of photoelectron production, transport and energy loss

Current understanding of the theory of ionospheric photoelectron production, transport and energy loss is summarized. The various approaches used in the theoretical calculations of photoelectron fluxes appear to be self consistent and sound; improved values for a number of input parameters are needed now in order to achieve significant improvements and more confidence in the results. The major remaining problem in the present day theory of photoelectron transport and energy loss is centered around the calculations of photoelectron transit through the protonosphere.

Nagy, A. F.↗

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