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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Improved CdTe PLR Estimates: Self-Shading and Spectral Mismatch

The RdTools year-on-year method of estimating performance loss rate (PLR) employs a simple normalization to remove the confounding effect of irradiance and temperature variation. However, the normalization's assumption that PV production scales linearly with in-plane broadband irradiance is a worse approximation for CdTe and other technologies with larger spectral sensitivities than it is for the more common c-Si technology. Additionally, CdTe systems using single-axis trackers (-20% of installed US utility-scale capacity) are subject to self-shading in the morning and afternoon, introducing another nonlinearity between PV output and broadband irradiance. Ignoring these effects may subject the estimated PLR to increased uncertainty, and perhaps bias, depending on the character of their short- and long-term variability. In this work we show that including self-shading and spectral mismatch models in the normalization for tracking CdTe systems can result not only in tighter PLR confidence intervals but different median PLRs as well. The shading and spectral models are kept simple to maintain consistency with the RdTools ethos of not requiring detailed system metadata or unusual measurements.

CdTe↗
DOE OSTI2018

Enhanced rate performance of Li3V2(PO4)3/C cathode by an improved rheological phase assisted microwave method

Highlights: • Rheological phase assisted microwave can utilize both advantages of two methods. • Polyethylene glycol was used as both rheological medium and carbon precursor. • 101.8 mA h g{sup −1} of specific capacity was obtained at 50 C rates. - Abstract: In this study, high-rate Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C composite is successfully synthesized via an improved rheological phase assisted microwave method using polyethylene glycol as both rheological medium and carbon precursor. The relatively uniform Li{sub 3}V{sub 2}(PO{sub 4}){sub 3} particles are encapsulated in amorphous carbon architecture to form core-shell structure, providing effective electron and ion transport. When used as a cathode material in lithium ion battery, the Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C composite displays a maximum discharge capacity of 101.8 mA h g{sup −1} at 50 C charge/discharge rate and still possesses 98.3% of capacity retention after 100 cycles, demonstrating superior rate capability and excellent cycling stability when compared with bare Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}. The observed electrochemical performance could be attributed to uniform coated-carbon pyrolysis from polyethylene glycol rheological phase precursor and small Li{sub 3}V{sub 2}(PO{sub 4}){sub 3} pristine particles synthesized by the fast microwave heating route.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The EGS Collab Project – Stimulations at Two Depths

The EGS Collab project, supported by the US Department of Energy, is performing intensively monitored rock stimulation and flow tests at the 10-m scale in an underground research laboratory to address challenges in implementing enhanced geothermal systems (EGS). Data and observations from the field tests are compared to simulations to understand processes and build confidence in numerical modeling of the processes. We have completed Experiment 1 (of 3), which examined hydraulic fracturing in a well-characterized underground fractured phyllite test bed at a depth of approximately 1.5 km at the Sanford Underground Research Facility (SURF) in Lead, South Dakota. Testbed characterization included fracture mapping, borehole acoustic and optical televiewers, full waveform sonic, conductivity, resistivity, temperature, campaign p- and s-wave investigations and electrical resistance tomography. Borehole geophysical techniques including passive seismic, continuous active source seismic monitoring, electrical resistance tomography, fiber-based distributed strain, distributed temperature, and distributed acoustic monitoring, were used to carefully monitor stimulation events and flow tests. More than a dozen stimulations and nearly one year of flow tests were performed. Quality data and detailed observations were collected and analyzed during stimulation and water flow tests using ambient temperature and chilled water. We achieved adaptive control of the tests using real-time monitoring and rapid dissemination of data and near-real-time simulation. More detailed numerical simulation was performed to answer key experimental design questions, forecast fracture propagation trajectories and extents, and analyze and evaluate results. Data are freely available from the Geothermal Data Repository. Experiment 2 examines the potential for hydraulic shearing in amphibolite at a depth of about 1.25 km at SURF. This site has a different set of stress and fracture conditions than Experiment 1. The Experiment 2 testbed consists of nine subhorizontal boreholes configured in two fans of two boreholes which surround the testbed and contain grouted-in electrical resistance tomography, seismic sensors, active seismic sources and distributed fiber sensors. A “five-spot” set of test wells that extends from a custom mined alcove includes an injection well and four production/monitoring wells. The testbed was characterized geophysically and hydrologically, and three stimulations have been performed using the Step-Rate Injection Method for Fracture In-Situ Properties (SIMFIP) tool to measure strains, and a new strain quantifying tool (downhole robotic strain analysis tool -DORSA) was deployed in a monitoring hole during stimulation. Real-time data were broadcast during stimulations to allow real-time response to arising issues.

EGS Collab, Enhanced Geothermal Systems, EGS, fiel↗
DOE OSTI2026

Dry-processed electrodes enabled by polytetrafluoroethylene fibrillation for high-performance lithium-ion batteries

The dry processing technique of polytetrafluoroethylene (PTFE) fibrillation offers significant advancements in cost reduction, environmental impact, and electrochemical performance. Dry processing alone allows for ∼ 20–60% cost reduction and increases of up to 40 mg cm⁻2 of areal loading – it typically comes at a reduction of rate capability. By leveraging the network structure of fibers, this method enhances rate capability and cycling performance, providing a compelling alternative to the conventional and currently predominant wet processing. The review delves into PTFE fibrillation mechanisms and examines critical influencing factors including material properties and processing parameters. It also discusses challenges associated with the electrodes fabricated by PTFE fibrillation, including structural instability due to insufficient PTFE fibrillization, compromised electrical conductivity from an insufficient conductive network, inhomogeneous dispersion resulting from the absence of solvents, restricted ionic transport due to increased electrode thickness, inadequate adhesion to current collector because of low surface energy of PTFE, electrochemical degradation due to low lowest unoccupied molecular orbital (LUMO) level of PTFE, particle damage during processing and environmental concerns related PTFE being a perfluoroalkyl and polyfluoroalkyl substances (PFAS). Recent research innovations aimed at mitigating these issues, their application in beyond-lithium batteries, and future research directions are thoroughly discussed.

Park, Hyunji↗
DOE OSTI2019

Muon capture in nuclei: An ab initio approach based on Green's function Monte Carlo methods

An ab initio Green's function Monte Carlo (GFMC) method is introduced for calculating total rates of muon weak capture in light nuclei with mass number $A ≤ 12$. As a first application of the method, we perform a calculation of the rate in $^3$$\textbf{H}$ and $^4$$\textbf{He}$ in a dynamical framework based on realistic two- and three-nucleon interactions and realistic nuclear charge-changing weak currents. The currents include one- and two-body terms induced by $π$- and $ρ$-meson exchange, and $N$-to-$Δ$ excitation, and are constrained to reproduce the empirical value of the Gamow-Teller matrix element in tritium. We investigate the sensitivity of theoretical predictions to current parametrizations of the nucleon axial and induced pseudoscalar form factors as well as to two-body contributions in the weak currents. The large uncertainties in the measured $^4$$\textbf{He}$ rates obtained from bubble-chamber experiments (carried out over 50 years ago) prevent us from drawing any definite conclusions. No data exist for $^3$$\textbf{H}$, but results are compared to those of a recent Faddeev calculation as a validation of the present GFMC method.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Recovery Efficiency, False Negative Rate, and Limit of Detection Performance of a Validated Macrofoam-Swab Sampling Method with Low Surface Concentrations of Two Bacillus anthracis Surrogates

The performance of a macrofoam-swab sampling method was evaluated using Bacillus anthracis Sterne (BAS) and Bacillus atrophaeus Nakamura (BG) spores applied at nine low target amounts (2-500 spores) to positive-control plates and test coupons (2 in. × 2 in.) of four surface materials (glass, stainless steel, vinyl tile, and plastic). Test results from cultured samples were used to evaluate the effects of surrogate, surface concentration, and surface material on recovery efficiency (RE), false negative rate (FNR), and limit of detection. For RE, surrogate and surface material had statistically significant effects, but concentration did not. Mean REs were the lowest for vinyl tile (50.8% with BAS, 40.2% with BG) and the highest for glass (92.8% with BAS, 71.4% with BG). FNR values ranged from 0 to 0.833 for BAS and 0 to 0.806 for BG, with values increasing as concentration decreased in the range tested (0.078 to 19.375 CFU/cm 2 , where CFU denotes ‘colony forming units’). Surface material also had a statistically significant effect. A FNR-concentration curve was fit for each combination of surrogate and surface material. For both surrogates, the FNR curves tended to be the lowest for glass and highest for vinyl title. The FNR curves for BG tended to be higher than for BAS at lower concentrations, especially for glass. Results using a modified Rapid Viability-Polymerase Chain Reaction (mRV-PCR) analysis method were also obtained. The mRV-PCR results and comparisons to the culture results will be discussed in a subsequent report.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Recovery Efficiency, False Negative Rate, and Limit of Detection Performance of a Validated Macrofoam-Swab Sampling Method with Low Surface Concentrations of Two Bacillus anthracis Surrogates

The performance of a macrofoam-swab sampling method was evaluated using Bacillus anthracis Sterne (BAS) and Bacillus atrophaeus Nakamura (BG) spores applied at nine low target amounts (2-500 spores) to positive-control plates and test coupons (2 in × 2 in) of four surface materials (glass, stainless steel, vinyl tile, and plastic). Test results from cultured samples were used to evaluate the effects of surrogate, surface concentration, and surface material on recovery efficiency (RE), false negative rate (FNR), and limit of detection. For RE, surrogate and surface material had statistically significant effects, but concentration did not. Mean REs were the lowest for vinyl tile (50.8% with BAS, 40.2% with BG) and the highest for glass (92.8% with BAS, 71.4% with BG). FNR values ranged from 0 to 0.833 for BAS and 0 to 0.806 for BG, with values increasing as concentration decreased in the range tested (0.078 to 19.375 CFU/cm2, where CFU denotes ‘colony forming units’). Surface material also had a statistically significant effect. A FNR-concentration curve was fit for each combination of surrogate and surface material. For both surrogates, the FNR curves tended to be the lowest for glass and highest for vinyl title. The FNR curves for BG tended to be higher than for BAS at lower concentrations, especially for glass. Results using a modified Rapid Viability-Polymerase Chain Reaction (mRV-PCR) analysis method were also obtained. The mRV-PCR results and comparisons to the culture results are discussed in a separate report.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

A systematic comparison of machine learning methods for modeling of dynamic processes applied to combustion emission rate modeling

Ten established, data-driven dynamic algorithms are surveyed and a practical guide for understanding these methods generated. Existing Python programming packages for implementing each algorithm are acknowledged, and the model equations necessary for prediction are presented. A case study on a coal-fired power plant’s NO x emission rates is performed, directly comparing each modeling method’s performance on a mutual system. Each model is evaluated by its root mean squared error (RMSE) on out-of-sample future horizon predictions. Optimal hyperparameters are identified using either an exhaustive search or genetic algorithm. The top five model structures of each method are used to recursively predict future NO x emission rates over a 60-step time horizon. The RMSE at each future timestep is determined, and the recursive output prediction trends compared against measurements in time. The GRU neural network is identified as the best candidate for representing the system, demonstrating accurate and stable predictions across the future horizon by all considered models, while satisfactory performance was observed in several of the ARX/NARX formulations. Finally, these efforts have contributed 1) a concise resource of multiple proven dynamic machine learning methods, 2) a practical guide explaining the use of these methods, effectively lowering the “barrier-to-entry” of deploying such models in control systems, 3) a comparison study evaluating each method’s performance on a mutual system, 4) demonstration of accurate multi-timestep emissions modeling suitable for systems-level control, and 5) generalizable results demonstrating the suitability of each method for prediction over a multi-step future horizon to other complex dynamic systems.

42 ENGINEERING↗
DOE OSTI2015

Improved electrochemical performances of CuO nanotube array prepared via electrodeposition as anode for lithium ion battery

Graphical abstract: CuO nanotube array electrodes prepared by electrodeposition method exhibit an excellent lithium ion storage ability as anode of Li-ion battery. - Highlights: • CuO nanotube arrays are synthesized by an electrodeposition method. • CuO nanotube shows a high-rate performance. • CuO nanotube shows an excellent cycling performance. - Abstract: We report a facile strategy to prepared CuO nanotube arrays directly grown on Cu plate through the electrodeposition method. The as-prepared CuO nanotubes show a quasi-cylinder nanostructure with internal diameters of ca. ∼100 nm, external diameters of ca. ∼120 nm, and average length of ∼3 μm. As an anode for lithium ion batteries, the electrochemical properties of the CuO nanotube arrays are investigated by cyclic voltammetry (CV) and galvanostatic charge/discharge tests. Due to the unique nanotube nanostructure, the as-prepared CuO electrodes exhibit good rate performance (550 mAh g{sup −1} at 0.1 C and 464 mAh g{sup −1} at 1 C) and cycling performance (581 mAh g{sup −1} at 0.1 C and 538 mAh g{sup −1} at 0.5 C)

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Muon Capture in Nuclei: an Ab Initio Approach Based on Quantum Monte Carlo Methods

An ab initio quantum Monte Carlo method is introduced for calculating total rates of muon weak capture in light nuclei with mass number $A \leq 12$. As a first application of the method, we perform a calculation of the rate in $^4$He in a dynamical framework based on realistic two- and three-nucleon interactions and realistic nuclear charge-changing weak currents. The currents include one- and two-body terms induced by $\pi$- and $\rho$-meson exchange, and $N$-to-$\Delta$ excitation, and are constrained to reproduce the empirical value of the Gamow-Teller matrix element in tritium. We investigate the sensitivity of theoretical predictions to current parametrizations of the nucleon axial and induced pseudoscalar form factors as well as to two-body contributions in the weak currents. The large uncertainties in the measured values obtained from bubble-chamber experiments (carried out over 50 years ago) prevent us from drawing any definite conclusions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Determining best practices for using genetic algorithms in molecular discovery

Genetic algorithms (GAs) are a powerful tool to search large chemical spaces for inverse molecular design. However, GAs have multiple hyperparameters that have not been thoroughly investigated for chemical space searches. In this tutorial, we examine the general effects of a number of hyperparameters, such as population size, elitism rate, selection method, mutation rate, and convergence criteria, on key GA performance metrics. Here, we show that using a self-termination method with a minimum Spearman’s rank correlation coefficient of 0.8 between generations maintained for 50 consecutive generations along with a population size of 32, a 50% elitism rate, three-way tournament selection, and a 40% mutation rate provides the best balance of finding the overall champion, maintaining good coverage of elite targets, and improving relative speedup for general use in molecular design GAs.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Self-adaptive weights based on balanced residual decay rate for physics-informed neural networks and deep operator networks

Physics-informed deep learning has emerged as a promising alternative for solving partial differential equations. However, for complex problems, training these networks can still be challenging, often resulting in unsatisfactory accuracy and efficiency. In this work, we demonstrate that the failure of plain physics-informed neural networks arises from the significant discrepancy in the convergence rate of residuals at different training points, where the slowest convergence rate dominates the overall solution convergence. Based on these observations, we propose a pointwise adaptive weighting method that balances the residual decay rate across different training points. The performance of our proposed adaptive weighting method is compared with current state-of-the-art adaptive weighting methods on benchmark problems for both physics-informed neural networks and physics-informed deep operator networks. In conclusion, through extensive numerical results we demonstrate that our proposed approach of balanced residual decay rates offers several advantages, including bounded weights, high prediction accuracy, fast convergence rate, low training uncertainty, low computational cost, and ease of hyperparameter tuning.

Balanced convergence rate↗
DOE OSTI2019

Enhancing the Rate Capability of Niobium Oxide Electrode through Rare‐Earth Doping Engineering

Abstract Niobium oxide is considered one of the most promising electrode materials for ultrafast electrochemical energy storage devices with high energy density. In this work, we first found that trace amounts (<1 %) of Yb 3+ doping remarkably enhanced the rate capability of T−Nb 2 O 5 , which was further proved to be because of the formation of a thin layer of amorphous YbNbO x . The capacity of YbNbO x ‐coated Nb 2 O 5 reached 124 mAh g −1 at 20 C, which is the highest value reported among pristine Nb 2 O 5 electrodes. Besides, we found that doping with other rare‐earth elements such as Nd 3+ , Sm 3+ , and Gd 3+ can also improve the rate capability of T−Nb 2 O 5 . It can be concluded that rare‐earth doping can be an effective and robust method to enhance the intrinsic rate performance of electrode materials without complicated modifications.

Yin, Dandan↗
DOE OSTI2016

HPXML to Home Energy Score Translator (hescore-hpxml) [SWR-14-30]

This repository has been archived by the owner on Mar 6, 2024. It is now read-only. Home Energy Score is a simulation-based rating method for existing homes. Home Performance XML (HPXML) is a data transfer standard for home energy audit and retrofit data used throughout the industry. This software receives an HPXML document and translates the building characteristics into HEScore inputs compliant with their API.

Market, Noel↗
DOE OSTI2014

HPXML to Home Energy Score Translator

Home Energy Score is a simulation-based rating method for existing homes. Home Performance XML (HPXML) is a data transfer standard for home energy audit and retrofit data used throughout the industry. This software receives an HPXML document and translates the building characteristics into HEScore inputs compliant with their API.

Market, Noel↗
DOE OSTI2019

EGS Collab Project: Accomplishments and Plan

To better understand stimulation and inter-well flow in crystalline rock with the goal of developing and improving subsurface heat exchangers for enhanced geothermal energy recovery, the EGS (Enhanced Geothermal Systems) Collab project is developing highly monitored, well- characterized intermediate scale (~10-20 m) field test beds, stimulating, and performing flow tests. These tests provide the ability to evaluate concepts, data to test and validate models, and tools to be used for EGS development, which may be evaluated at DOE’s Frontier Observatory for Research in Geothermal Energy (FORGE) project. Numerical simulation is key to the project, for experiment design and interpretation of results. Testbed characterization included optical and acoustic televiewers, full waveform seismic, electromagnetic, gamma, and temperature. The test block was further characterized using seismic tomography (p- and s-), electrical resistance tomography (ERT), and hydrologic characterization including tracer tests. Coupled process models are constrained by the detailed site characterization data. Installed monitoring systems include: 1) passive seismic/acoustic emissions; 2) continuous active source seismic; 3) ERT, with dynamic imaging using high contrast fluids; and 4) distributed acoustic, temperature, and strain fiber optic sensors. During flow and stimulation tests, fracture aperture strain monitoring is performed using the Step-rate Injection Method for Fracture In-situ Properties (SIMFIP) tool. Pressure and flow in the injection and production boreholes are monitored, and tracer tests and wavefield imaging and inversion are performed to provide additional constraints. Stimulations have been performed at several locations, connecting our injection and production wells. An overview of the EGS Collab project is presented to provide a framework for other EGS Collab presentations, along with results from numerical simulations and experiments performed at the Sanford Underground Research Facility in South Dakota.

Enhanced Geothermal Systems, EGS Collab, stimulati↗
DOE OSTI2015

Paradoxical roles of hydrogen in electrochemical performance of graphene: High rate capacity and atomistic origins

Atomic hydrogen exists ubiquitously in graphene materials made by chemical methods. Yet determining the effect of hydrogen on the electrochemical performance of graphene remains a significant challenge. Here we report the experimental observations of high rate capacity in hydrogen-treated 3-dimensional (3D) graphene nanofoam electrodes for lithium ion batteries. Structural and electronic characterization suggests that defect sites and hydrogen play synergistic roles in disrupting sp 2 graphene to facilitate fast lithium transport and reversible surface binding, as evidenced by the fast charge-transfer kinetics and increased capacitive contribution in hydrogen-treated 3D graphene. In concert with experiments, multiscale calculations reveal that defect complexes in graphene are prerequisite for low-temperature hydrogenation, and that the hydrogenation of defective or functionalized sites at strained domain boundaries plays a beneficial role in improving rate capacity by opening gaps to facilitate easier Li penetration. Additional reversible capacity is provided by enhanced lithium binding near hydrogen-terminated edge sites. Furthermore, these findings provide qualitative insights in helping the design of graphene-based materials for high-power electrodes.

25 ENERGY STORAGE↗
DOE OSTI2016

Obtaining a Special Administrative License Exemption to Ship the West Valley Melter Box - 16327

In order to ship the West Valley Melter Package (WVMP) package to support its disposal, the U.S. Department of Energy (DOE) requested a one-time shipment license exemption from the U.S. Nuclear Regulatory Commission (NRC). Based on content, the previously constructed WVMP, containing residual borosilicate glass and Low Density Cellular Concrete was shown to require a Type B Package. Therefore, Title 10 of the United States Code of Federal Regulations, Part 71 (10 CFR 71) required that radioactive releases under Normal Conditions of Transport (NCT) and Hypothetical Accident Conditions (HAC) would remain less than 1 E-7 A{sub 2}/hour and 1 E-1 A{sub 2}/week, respectively. Although the NRC normal method for demonstrating conformance to the 10CFR71 requirement is through performance of leak rate testing per American National Standards Institute (ANSI) standard N14.5, the WVMP does not contain a pressure vessel; therefore, performance of leak rate testing was not applicable/possible. Instead, an alternate method, adapted from DOE Handbook 3010 was used to show that the maximum allowed 10 CFR 71 radionuclide release rates for NCT and HAC would not be exceeded. Summarizing the effort, this paper provides the technical synopsis for requesting the exemption. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗