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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

A symmetric organic-based nonaqueous redox flow battery and its state of charge diagnostics by FTIR

Redox flow batteries have shown outstanding promise for grid-scale energy storage to promote utilization of renewable energy and improve grid stability. Nonaqueous battery systems can potentially achieve high energy density because of their broad voltage window. In this paper, we report a new organic redox-active material for use in a nonaqueous redox flow battery, 2-phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide (PTIO) that has high solubility (>2.6 M) in organic solvents. PTIO exhibits electrochemically reversible disproportionation reactions and thus can serve as both anolyte and catholyte redox materials in a symmetric flow cell. The PTIO flow battery has a moderate cell voltage of ~1.7 V and shows good cyclability under both cyclic voltammetry and flow cell conditions. Moreover, we demonstrate that FTIR can offer accurate estimation of the PTIO concentration in electrolytes and determine the state of charge of the PTIO flow cell, which suggests FTIR potentially as a powerful online battery status sensor. In conclusion, this study is expected to inspire more insights in this under-addressed area of state of charge analysis aiming at operational safety and reliability of flow batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Evaluation of Analytical and Numerical Techniques for Defining the Radius of Influence for an Open-Loop Ground Source Heat Pump System

In an open-loop groundwater heat pump (GHP) system, groundwater is extracted, run through a heat exchanger, and injected back into the ground, resulting in no mass balance changes to the flow system. Although the groundwater use is non-consumptive, the withdrawal and injection of groundwater may cause negative hydraulic and thermal impacts to the flow system. Because GHP is a relatively new technology and regulatory guidelines for determining environmental impacts for GHPs may not exist, consumptive use metrics may need to be used for permit applications. For consumptive use permits, a radius of influence is often used, which is defined as the radius beyond which hydraulic impacts to the system are considered negligible. In this paper, the hydraulic radius of influence concept was examined using analytical and numerical methods for a non-consumptive GHP system in southeastern Washington State. At this location, the primary hydraulic concerns were impacts to nearby contaminant plumes and a water supply well field. The results of this study showed that the analytical techniques with idealized radial flow were generally unsuited because they over predicted the influence of the well system. The numerical techniques yielded more reasonable results because they could account for aquifer heterogeneities and flow boundaries. In particular, the use of a capture zone analysis was identified as the best method for determining potential changes in current contaminant plume trajectories. The capture zone analysis is a more quantitative and reliable tool for determining the radius of influence with a greater accuracy and better insight for a non-consumptive GHP assessment.

GHPs↗
DOE OSTI2014

Molecular dynamics simulations of the amino acid-ZnO (10-10) interface: A comparison between density functional theory and density functional tight binding results

We investigate the adsorption behavior of four different amino acids (glutamine, glutamate, serine, cysteine) on the zinc oxide (101{sup ¯}0) surface, comparing the geometry and energy associated with a number of different adsorption configurations. In doing this, we highlight the benefits and limits of using density-functional tight-binding (DFTB) with respect to standard density functional theory (DFT). The DFTB method is found to reliably reproduce the DFT adsorption geometries. Analysis of the adsorption configurations emphasizes the fundamental role of the first hydration layer in mediating the interactions between the amino acids and the surface. Direct surface-molecule bonds are found to form predominantly via the carboxylate groups of the studied amino acids. No surface-mediated chemical reactions are observed, with the notable exception of a proton transfer from the thiol group of cysteine to a hydroxyl group of the surface hydration layer. The adsorption energies are found to be dominated both by the formation of direct or indirect surface-molecule hydrogen bonds, but also by the rearrangement of the hydrogen-bond network in surface proximity in a non-intuitive way. Energetic comparisons between DFTB and DFT are made difficult on one side by the long time necessary to achieve convergence of potential energy values in MD simulations and on the other side by the necessity of including higher-order corrections to DFTB to obtain a good description of the hydrogen bond energetics. Overall, our results suggest that DFTB is a good reference method to set the correct chemical states and the initial geometries of hybrid biomolecule/ZnO systems to be simulated with non-reactive force fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

The completed SDSS-IV extended Baryon Oscillation Spectroscopic Survey: large-scale structure catalogues and measurement of the isotropic BAO between redshift 0.6 and 1.1 for the Emission Line Galaxy Sample

ABSTRACT We present the Emission Line Galaxy (ELG) sample of the extended Baryon Oscillation Spectroscopic Survey from the Sloan Digital Sky Survey IV Data Release 16. We describe the observations and redshift measurement for the 269 243 observed ELG spectra, and then present the large-scale structure catalogues, used for the cosmological analysis, and made of 173 736 reliable spectroscopic redshifts between 0.6 and 1.1. We perform a spherically averaged baryon acoustic oscillations (BAO) measurement in configuration space, with density field reconstruction: the data two-point correlation function shows a feature consistent with that of the BAO, the BAO model being only weakly preferred over a model without BAO (Δχ2 < 1). Fitting a model constrained to have a BAO feature provides a 3.2 per cent measurement of the spherically averaged BAO distance DV(zeff)/rdrag = 18.23 ± 0.58 at the effective redshift zeff = 0.845.

Raichoor, Anand↗
DOE OSTI2021

Inherent issues regarding the use of in situ x-ray diffraction measurements to determine temperature in shock-compressed metals

Temperature determination in shock compressed solids constitutes an important and long-standing scientific need. Since the reduction of Bragg diffracted peaks due to temperature increase, using the Debye-Waller factor, is well established, we examined the use of this approach to determine temperatures in shock compressed gold and platinum by representing the shocked state as a superposition of density and temperature changes. Comparison of the calculated and measured diffraction peaks did not show good agreement, because x-ray diffraction (XRD) profiles in the shock compressed state are not governed solely by density and temperature changes. XRD results are also influenced measurably by shock wave induced microstructural changes. Our results demonstrate that contributions from microstructural changes need to be incorporated and modeled in the theoretical analysis to use XRD measurements for reliable temperature determination in shock compressed solids.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

SU-E-J-243: Reproducibility of Radiomics Features Through Different Voxel Discretization Levels in F18-FDG PET Images of Cervical Cancer

Purpose: Site-specific investigations of the role of Radiomics in cancer diagnosis and therapy are needed. We report of the reproducibility of quantitative image features over different discrete voxel levels in PET/CT images of cervical cancer. Methods: Our dataset consisted of the pretreatment PET/CT scans from a cohort of 76 patients diagnosed with cervical cancer, FIGO stage IB-IVA, age range 31–76 years, treated with external beam radiation therapy to a dose range between 45–50.4 Gy (median dose: 45 Gy), concurrent cisplatin chemotherapy and MRI-based Brachytherapy to a dose of 20–30 Gy (median total dose: 28 Gy). Two board certified radiation oncologists delineated Metabolic Tumor volume (MTV) for each patient. Radiomics features were extracted based on 32, 64, 128 and 256 discretization levels (DL). The 64 level was chosen to be the reference DL. Features were calculated based on Co-occurrence (COM), Gray Level Size Zone (GLSZM) and Run-Length (RLM) matrices. Mean Percentage Differences (Δ) of features for discrete levels were determined. Normality distribution of Δ was tested using Kolomogorov - Smirnov test. Bland-Altman test was used to investigate differences between feature values measured on different DL. The mean, standard deviation and upper/lower value limits for each pair of DL were calculated. Interclass Correlation Coefficient (ICC) analysis was performed to examine the reliability of repeated measures within the context of the test re-test format. Results: 3 global and 5 regional features out of 48 features showed distribution not significantly different from a normal one. The reproducible features passed the normality test. Only 5 reproducible results were reliable, ICC range 0.7 – 0.99. Conclusion: Most of the radiomics features tested showed sensitivity to voxel level discretization between (32 – 256). Only 4 GLSZM, 3 COM and 1 RLM showed insensitivity towards mentioned discrete levels.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

SU-E-J-252: Reproducibility of Radiogenomic Image Features: Comparison of Two Semi-Automated Segmentation Methods

Purpose: Objective and reliable quantification of imaging phenotype is an essential part of radiogenomic studies. We compared the reproducibility of two semi-automatic segmentation methods for quantitative image phenotyping in magnetic resonance imaging (MRI) of glioblastoma multiforme (GBM). Methods: MRI examinations with T1 post-gadolinium and FLAIR sequences of 10 GBM patients were downloaded from the Cancer Image Archive site. Two semi-automatic segmentation tools with different algorithms (deformable model and grow cut method) were used to segment contrast enhancement, necrosis and edema regions by two independent observers. A total of 21 imaging features consisting of area and edge groups were extracted automatically from the segmented tumor. The inter-observer variability and coefficient of variation (COV) were calculated to evaluate the reproducibility. Results: Inter-observer correlations and coefficient of variation of imaging features with the deformable model ranged from 0.953 to 0.999 and 2.1% to 9.2%, respectively, and the grow cut method ranged from 0.799 to 0.976 and 3.5% to 26.6%, respectively. Coefficient of variation for especially important features which were previously reported as predictive of patient survival were: 3.4% with deformable model and 7.4% with grow cut method for the proportion of contrast enhanced tumor region; 5.5% with deformable model and 25.7% with grow cut method for the proportion of necrosis; and 2.1% with deformable model and 4.4% with grow cut method for edge sharpness of tumor on CE-T1W1. Conclusion: Comparison of two semi-automated tumor segmentation techniques shows reliable image feature extraction for radiogenomic analysis of GBM patients with multiparametric Brain MRI.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Community Energy by Design: A Simulation-Based Design Workflow Using Measured Data Clustering to Calibrate Urban Building Energy Models (UBEMs)

This paper presents a workflow that informs urban design decisions using measured data clustering to calibrate urban building energy models. The method's goal is to support urban design in terms of form, building systems configurations, as well as influencing user behavior aspects in the built environment through a systemic analysis of measured data to develop reliable future-case design scenario energy models. Detailed data on appliance-level electricity use are employed via data clustering to calibrate a urban building energy model for the Mueller community in Austin, TX, USA. The data were collected by the Pecan Street Institute for a year in 2014 from consumers in Austin and other surrounding cities. First, collected energy data were restructured and cleaned from corrupt and/or missing information. Second, in order to identify common energy use patterns, a model-based clustering algorithm for functional data was applied. Behavioral/usage profiles are determined through clustering and translated into usage schedules and behaviors. As a result, an urban building energy model built in the urban modeling interface (umi) was calibrated, with fully calibrated and semi-calibrated buildings, within a maximum calibration error margin of 14% for daily-scale averages. Finally, an illustration of calibrated-urban building energy model design case scenarios is presented, and implications on community energy potential effects are discussed.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2019

High-performance End-to-End Integrity Verification on Big Data Transfer

The scale of scientific data generated by experimental facilities and simulations in high-performance computing facilities has been proliferating with the emergence of IoT-based big data. In many cases, this data must be transmitted rapidly and reliably to remote facilities for storage, analysis, or sharing, for the Internet of Things (IoT) applications. Simultaneously, IoT data can be verified using a checksum after the data has been written to the disk at the destination to ensure its integrity. However, this end-to-end integrity verification inevitably creates overheads (extra disk I/O and more computation). Thus, the overall data transfer time increases. In this article, we evaluate strategies to maximize the overlap between data transfer and checksum computation for astronomical observation data. Specifically, we examine file-level and block-level (with various block sizes) pipelining to overlap data transfer and checksum computation. We analyze these pipelining approaches in the context of GridFTP, a widely used protocol for scientific data transfers. Theoretical analysis and experiments are conducted to evaluate our methods. The results show that block-level pipelining is effective in maximizing the overlap mentioned above, and can improve the overall data transfer time with end-to-end integrity verification by up to 70% compared to the sequential execution of transfer and checksum, and by up to 60% compared to file-level pipelining.

data integrity↗
DOE OSTI2014

Noise estimation of beam position monitors at RHIC

Beam position monitors (BPM) are used to record the average orbits and transverse turn-by-turn displacements of the beam centroid motion. The Relativistic Hadron Ion Collider (RHIC) has 160 BPMs for each plane in each of the Blue and Yellow rings: 72 dual-plane BPMs in the insertion regions (IR) and 176 single-plane modules in the arcs. Each BPM is able to acquire 1024 or 4096 consecutive turn-by-turn beam positions. Inevitably, there are broadband noisy signals in the turn-by-turn data due to BPM electronics as well as other sources. A detailed study of the BPM noise performance is critical for reliable optics measurement and beam dynamics analysis based on turn-by-turn data.

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

California Plug-In Electric Vehicle Infrastructure Projections: 2017-2025 - Future Infrastructure Needs for Reaching the State's Zero Emission-Vehicle Deployment Goals

This report analyzes plug-in electric vehicle (PEV) infrastructure needs in California from 2017 to 2025 in a scenario where the State's zero-emission vehicle (ZEV) deployment goals are achieved by household vehicles. The statewide infrastructure needs are evaluated by using the Electric Vehicle Infrastructure Projection tool, which incorporates representative statewide travel data from the 2012 California Household Travel Survey. The infrastructure solution presented in this assessment addresses two primary objectives: (1) enabling travel for battery electric vehicles and (2) maximizing the electric vehicle-miles traveled for plug-in hybrid electric vehicles. The analysis is performed at the county-level for each year between 2017 and 2025 while considering potential technology improvements. The results from this study present an infrastructure solution that can facilitate market growth for PEVs to reach the State's ZEV goals by 2025. The overall results show a need for 99k-130k destination chargers, including workplaces and public locations, and 9k-25k fast chargers. The results also show a need for dedicated or shared residential charging solutions at multi-family dwellings, which are expected to host about 120k PEVs by 2025. An improvement to the scientific literature, this analysis presents the significance of infrastructure reliability and accessibility on the quantification of charger demand.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2019

Determing the Radiative Heat Transfer out of the Fireball of an Atmospheric Nuclear Detonation using Experimental Data

When Edgerton, Germeshausen and Grier, Inc. (EG&G) conducted the atmospheric nuclear tests in the 1950s, they made several continuous records of the light output over time with special "streak cameras." Once processed, these "streak films" contained long bands of varying optical density on black-and-white 35mm film. The purpose for creating them was to determine the time-dependent rate of radiative heat transfer out of the fireball. Back then, EG&G's manual examination methods were not precise enough to make complete analysis worthwhile, so the data was never fully analyzed. With the advent of new computer software, recently developed analysis techniques have reduced uncertainty in the data to where re-analysis is providing results far more reliable than anything EG&G published. Previously inaccessible information can now be accurately gathered from the original films. The method described here allows the streak films to be analyzed so a radiative power curve for an atmospheric nuclear detonation can be constructed using only experimental data. It was applied to five streak films here, though it may be applicable to other types of films as well. The data was plotted and compared to solutions generated with the Hybrid Chemistry (HYCHEM) software. The results are explained, and uncertainty values are provided. If the results from more films show consistency and the sources of uncertainty are mitigated, enough data may be discovered to create a correction factor for HYCHEM or to make more accurate yield determinations using G.I. Taylor's equations. Several other conclusions and recommendations are also posed.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2020

Next Generation Hydrogen Station Composite Data Products: Retail Stations (Data through Quarter 3 of 2019)

This publication includes 98 composite data products (CDPs) produced for next generation hydrogen stations, with data through the third quarter of 2019. These CDPs include data from retail stations only and represent the following analysis categories: deployment, safety, maintenance and reliability, performance, cost, utilization, hydrogen quality, and component energy.

08 HYDROGEN↗
DOE OSTI2023

Interpreting T-History Data on Supercooling and Phase Change Enthalpy of a Salt-Hydrogel Complex for Building Thermal Management

Phase change materials (PCMs) are promising materials for storing and discharging latent heat in buildings to regulate the thermal environment. Measurement of salt hydrate PCM thermal performance is often challenging because of supercooling and phase segregation. Though differential scanning calorimetry (DSC) has been widely used to measure thermal properties of various phase change materials, DSC uses milligrams of sample and is unrealistic for predicting large-scale materials performance. The T-history method [1], in contrast, handles higher volumes but the analysis typically requires a lumped capacitance assumption. Here, we report and analyze T-History data on a novel salt-hydrogel complex with high viscosity, that renders low Biot number sample preparation extremely challenging. We re-examine the standard T-history method and compared against DSC data in this complex material. We report details of an experimental setup, built with necessary additions to a controlled environmental chamber. We carefully examine the validity of the lumped capacitance assumption and suggest a modified analysis using a computational approach for reliable data. Experimental parameters such as ramp rate and temperature range of the environmental chamber are considered via computational modeling to understand the effect of ramp rate on supercooling [2]. Finally, we report thermal cycling experiments on the salt-hydrogel complex. Our modified approach to measuring supercooling and enthalpy of fusion at large scales is important in better understanding the performance of phase-change materials at scale for building thermal storage. References: [1] Marin, Jose M, Belen Zalba, Luisa F Cabeza, and Harald Mehling. “Determination of Enthalpy Temperature Curves of Phase Change Materials with the Temperature-History Method: Improvement to Temperature Dependent Properties.” Measurement Science and Technology 14, no. 2 (February 1, 2003): 184–89. https://doi.org/10.1088/0957-0233/14/2/305. [2] Safari, A., R. Saidur, F.A. Sulaiman, Yan Xu, and Joe Dong. “A Review on Supercooling of Phase Change Materials in Thermal Energy Storage Systems.” Renewable and Sustainable Energy Reviews 70 (April 2017): 905–19. https://doi.org/10.1016/j.rser.2016.11.272

thermodynamics↗
DOE OSTI2025

A Review of Quantum Computing Technologies in Power System Optimization

As modern power grids increasingly integrate variable renewable generation, distributed energy resources, and energy storage systems, classical optimization techniques are facing unprecedented challenges. This review examines the emerging application of quantum computing to overcome these challenges in power system optimization, including optimal power flow (OPF), unit commitment (UC), economic dispatch (ED), and intelligent switching and topology optimization (IS-TO). Recent research has introduced various quantum methodologies—such as gate-based, annealing-based, variational algorithms, and quantum-inspired algorithms—to address the combinatorial complexity inherent in grid reconfiguration and energy management. The review summaries the quantum algorithms, quantum devices and the power system test cases, highlighting hybrid quantum–classical strategies that leverage the complementary strengths of both paradigms. Some quantum advantages have been observed, including theoretical speedup, accurate simulation results, scalable qubit usage, efficient QUBO mapping. In particular, the review emphasizes the importance of integrating quantum optimization techniques with classical control frameworks, these hybrid approaches demonstrate the potential to improve real-time grid management and operational reliability. A significant portion of the analysis is devoted to the practical limitations of current quantum devices. Present-day quantum hardware, operating in the noisy intermediate-scale quantum (NISQ) era, remains highly sensitive to noise and limited in qubit connectivity, which constrains the scale and accuracy of implemented algorithms. The review delves into specific challenges such as the need for qubit-efficient encoding techniques and error mitigation strategies that are critical for handling real-world grid optimization problems. In addition, the work draws attention to the performance discrepancies between theoretical quantum speedups and experimental validations, underscoring the importance of rigorous benchmark studies using representative power grid test cases. In summary, this review highlights both the promise and limitations of quantum computing for power system optimization. It provides a comprehensive overview of the state-of-the-art technologies, categorizes recent advancements in algorithm design, and discusses practical considerations for implementation, and serves as an informative resource on current research. Future research directions include developing robust hybrid frameworks, advancing qubit-efficient formulations, and scaling up experimental demonstrations to confirm the theoretical advantages of quantum methods in large-scale power system operations.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Preliminary Plan to Inform Testing of a Heat Exchanger Test Article

This report presents a preliminary plan to guide the qualification testing of advanced heat exchanger (HX) components for nuclear-to-industrial heat transfer applications. The objective is to establish a defensible, physics-based methodology that integrates computational modeling, targeted experimentation, and in-service inspection considerations to demonstrate component performance and reliability under representative reactor conditions. The analysis identifies Sodium-cooled Fast Reactor (SFR) and High-Temperature Gas-cooled Reactor (HTGR) systems as reference configurations in terms of temperature, pressure, and chemical environment. Within these operating envelopes, dominant degradation mechanisms— including creep–fatigue interaction, flow-induced vibration, corrosion, and diffusion-bond deterioration—were evaluated to define test requirements. A comprehensive computationalexperimental framework is proposed to support life prediction and qualification activities. The framework couples high-fidelity structural-mechanics, thermal-hydraulic, and fluid-structure interaction models with accelerated degradation testing to produce a traceable linkage between microstructural evolution, mechanical performance, and remaining useful life (RUL). The approach adheres to established Verification, Validation, and Uncertainty Quantification (VVUQ) standards (ASME V&V 10/20; NUREG-2152) and incorporates a digital-twin architecture for continuous model refinement through data assimilation. The plan further outlines testing methodologies, including pre-test analyses, test-loop design parameters, and sensor placement strategies that maximize information yield while maintaining mechanistic fidelity. Complementary sections describe in-service inspection (ISI), on-line monitoring (OLM), and structural-health-monitoring (SHM) techniques applicable to compact HX geometries typical of advanced reactors. Collectively, these activities establish the technical foundation for demonstrating 40-60-year equivalent service life of advanced heat exchangers in support of the U.S. Department of Energy’s Advanced Reactor and Integrated Energy Systems programs. The forthcoming phase will execute the defined pre-test analyses, initiate hardware fabrication, and implement the integrated testing campaign to validate the proposed qualification methodology.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Interconnect: Cooperative Research and Development Final Report, CRADA Number CRD-13-00507 (Project 4)

This CRADA modification involves analyses on a variety of CdTe-PV related materials, test structures, solar cells, and modules produced at FSLR and/or NLR and adds analysis related to module degradation and reliability. Materials will be provided by FSLR, NLR, and/or by interleaving FSLR and NLR layers and processes. Module reliability activities will include technical risk assessment, materials characterization, module and test structure characterization, modeling, accelerated test development, and outdoor testing.

14 SOLAR ENERGY↗