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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,495 records · Page 83
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

DRoP: Automated detection of conserved solvent‐binding sites on proteins

Abstract Water and ligand binding play critical roles in the structure and function of proteins, yet their binding sites and significance are difficult to predict a priori. Multiple solvent crystal structures (MSCS) is a method where several X‐ray crystal structures are solved, each in a unique solvent environment, with organic molecules that serve as probes of the protein surface for sites evolved to bind ligands, while the first hydration shell is essentially maintained. When superimposed, these structures contain a vast amount of information regarding hot spots of protein‐protein or protein‐ligand interactions, as well as conserved water‐binding sites retained with the change in solvent properties. Optimized mining of this information requires reliable structural data and a consistent, objective analysis tool. Detection of related solvent positions (DRoP) was developed to automatically organize and rank the water or small organic molecule binding sites within a given set of structures. It is a flexible tool that can also be used in conserved water analysis given multiple structures of any protein independent of the MSCS method. The DRoP output is an HTML format list of the solvent sites ordered by conservation rank in its population within the set of structures, along with renumbered and recolored PDB files for visualization and facile analysis. Here, we present a previously unpublished set of MSCS structures of bovine pancreatic ribonuclease A (RNase A) and use it together with published structures to illustrate the capabilities of DRoP.

Kearney, Bradley M.↗
DOE OSTI2024

In Situ Characterization of Interface Evolution in Argyrodite‐Based All‐Solid‐State Li Batteries

Interfacial stability is one of the critical challenges in all-solid-state Li metal batteries. Multiple processes such as solid electrolyte (SE) decomposition and lithium dendrite growth take place at the solid interfaces during cycling, leading to the overall cell failure. To deconvolute these complex processes, in situ characterization is of paramount importance to elucidate the interfacial evolution on the SE upon Li plating/stripping. Herein, an all-solid-state asymmetric in situ cell is developed that allows the direct visualization of the highly localized Li plating/stripping processes under the optical microscope. Moreover, this cell configuration enables reliable post-mortem chemical and morphological analysis of the intact SE/Li interface. Using combined scanning electron microscopy and energy-dispersive X-ray spectroscopy, the study reveals that the evolution of the Li argyrodite interface is strongly influenced by the current density, particularly in terms of chemical distribution and Li plating morphology. More specifically, the solid interface is LiCl-rich with the formation of Li cubes at low current densities, while high currents result in more uniform elemental distribution and filament morphology. These findings elucidate the dynamic evolution mechanism at solid interfaces and offer valuable guidance for developing stable solid interfaces in all-solid-state Li metal batteries.

Huang, Di↗
DOE OSTI2017

Bridging the gap between peak and average loads on science networks

Backbone networks are typically overprovisioned in order to support peak loads. Research and education networks (RENs), for example, are often designed to operate at 20–30% of capacity. Thus, Internet2 upgrades its backbone interconnects when the weekly 95th-percentile load is reliably above 30% of link capacity, and analysis of ESnet traffic between major laboratories shows a substantial gap between peak and average utilization. As science data volumes increase exponentially, it is unclear whether this overprovisioning trend can continue into the future. Even if overprovisioning is possible, it may not be the most cost-effective (and desirable) approach going forward. Under the current mode of free access to RENs, traffic at peak load may include both flows that need to be transferred in near-real time–for example, for computation and instrument monitoring and steering–and flows that are less time-critical, for example, archival and storage replication operations. Thus, peak load does not necessarily indicate the capacity that is absolutely required at that moment. We thus examine how data transfers are impacted when the average network load is increased while the network capacity is kept at the current levels. We also classify data transfers into on-demand (time-critical) and best-effort (less time-critical) and study the impact on both classes for different proportions of both the number of on-demand transfers and amount of bandwidth allocated for on-demand transfers. For our study, we use real transfer logs from production GridFTP servers to do simulation-based experiments as well as real experiments on a testbed. We find that when the transfer load is doubled and the network capacity is fixed at the current level, the gap between peak and average throughput decreases by an average of 18% in the simulation experiments and 16% in the testbed experiments, and the average slowdown experienced by the data transfers is under 1.5×. Moreover, when transfers are classified as on-demand or best-effort, on-demand transfers experience almost no slowdown and the mean slowdown experienced by best-effort transfers is under 2× in the simulation experiments and under 1.2× in the testbed experiments.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

The Value of Forecasters‐in‐the‐Loop in Real‐Time Flood Forecasting in the Age of Machine Learning

Machine learning (ML) applications in hydrological forecasting are increasingly prevalent and show great potential. However, many previous studies have only evaluated performance through reanalysis or retrospective simulations compared to simplified baselines. This study provides the first assessment of ML performance against actual operational forecasting systems operated by the California Nevada River Forecast Center (CNRFC), which combines the Community Hydrologic Prediction System (CHPS) with forecasters-in-the-loop. Results demonstrate that forecasters-in-the-loop systems consistently outperform ML models in both general forecasts and flood alerting across lead times up to 96 hr, even when ML models use observed forcings, while CNRFC operational process relies on biased weather forecasts. Our analysis reveals that forecaster expertise maintains forecast reliability despite inaccurate precipitation inputs, with human-guided systems showing superior performance degradation characteristics at extended lead times. These findings highlight the irreplaceable value of human expertise in operational forecasting and caution against overstating current ML capabilities in real-world applications.

Tran, Vinh Ngoc [Univ. of Michigan, Ann Arbor, MI ↗
DOE OSTI2018

Capacity fade in high energy silicon-graphite electrodes for lithium-ion batteries

A silicon-graphite blended anode is paired with a high capacity LiFePO 4 reference/counter electrode to track irreversibility and lithium inventory. The LiFePO 4 electrode provides a reliable, flat potential for dQ dV -1 analysis of Li x Si and Li x C electrochemical reactions. We can relate this electrochemistry to the morphological and physical changes taking place.

25 ENERGY STORAGE↗
DOE OSTI2025

Mapping and probing Froggatt-Nielsen solutions to the quark flavor puzzle

The Froggatt-Nielsen (FN) mechanism is an elegant solution to the flavor problem. In its minimal application to the quark sector, the different quark types and generations have different charges under a 𝑈⁢(1)𝑋 flavor symmetry. The SM Yukawa couplings are generated below the flavor breaking scale with hierarchies dictated by the quark charge assignments. Only a handful of charge assignments are generally considered in the literature. We analyze the complete space of possible charge assignments with |𝑋 𝑞𝑖 | ≤ 4 and perform both a set of Bayesian-inspired numerical scans and an analytical spurion analysis to identify those charge assignments that reliably generate SM-like quark mass and mixing hierarchies. The resulting set of top-20 flavor charge assignments significantly enlarges the viable space of FN models but is still compact enough to enable focused phenomenological study. We then apply our numerical methodology to demonstrate that these distinct charge assignments result in the generation of correlated flavor-violating four-quark operators characterized by significantly varied strengths, potentially differing substantially from the possibilities previously explored in the literature. Future precision measurement of Δ⁢𝐹 = 2 observables, along with increasingly accurate SM predictions, may therefore enable us to distinguish among otherwise equally plausible FN charges, thus shedding light on the UV structure of the flavor sector.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Comparison and Discussion on Shortcircuit Protections for Silicon-Carbide MOSFET Modules: Desaturation Versus Rogowski Switch-Current Sensor

Survivability of silicon-carbide (SiC) mosfet modules during short circuit (SC) is essential for modern power electronics systems due to large economic implications. SiC mosfet modules exhibit narrow SC withstand times and generally much lower SC robustness than silicon (Si) insulated-gate bipolar transistors (IGBTs). This puts a critical concern on their utilization, further stressing the importance of reliable protection. This article presents a comprehensive analysis and discussion on the SiC mosfet module SC protection and performance comparison between conventional desaturation detection, previously used for Si IGBT protection, and Rogowski switch-current sensor (RSCS) detection. In addition, this article presents the experimental design for soft turn-off as a reaction to the SC detection to avoid excessive overshoots during the abrupt turn-off of the SC current. To perform different types of SC with various fault inductances on different temperatures, and for the sake of fair comparison under the same conditions, a gate-driver unit for 1.2 kV SiC mosfet half-bridge modules is developed containing both detection methods. The results demonstrate that both methods are successful in protecting the module in all SC types, with superiority of the RSCS detection and concerns for desaturation detection in high-inductance and high dc-bus voltage SC events.

42 ENGINEERING↗
DOE OSTI2017

State of the Art and Future Research Needs for Multiscale Analysis of Li-Ion Cells

The performance, safety, and reliability of Li-ion batteries are determined by a complex set of multiphysics, multiscale phenomena that must be holistically studied and optimized. This paper provides a summary of the state of the art in a variety of research fields related to Li-ion battery materials, processes, and systems. The material presented here is based on a series of discussions at a recently concluded bilateral workshop in which researchers and students from India and the U.S. participated. It is expected that this summary will help understand the complex nature of Li-ion batteries and help highlight the critical directions for future research.

25 ENERGY STORAGE↗
DOE OSTI2018

Chefornak Energy Configuration Options: Energy Infrastructure Optimization to Reduce Fuel Cost and Dependence in Chefornak, Alaska

The U.S. Department of Energy is funding, through the Grid Modernization Program, the Alaska Microgrid Partnership (AMP), a multi-stakeholder collaborative comprised of national labs and Alaska based partners. The over-arching goal of AMP is to reduce the use of total imported fuel into communities to secure all energy services by at least 50% in Alaska's remote microgrids without increasing system lifecycle costs, while improving overall system reliability, security, and resilience. One goal of AMP is to investigate if a combination of Energy Efficiency (EE) and high contribution (from Renewable Energy (RE)) power systems can reduce total imported energy usage by 50% while lowering Life Cycle Costs (LCC) and improving reliability and resiliency. A techno-economic analysis was conducted for the community of Chefornak to investigate system architectures that could meet the goal of reducing imported fuel consumption by 50% or more.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2019

October 2019 SAPHIRE 8 Software Quality Assurance Oversight Status Report

The software quality assurance oversight consists of updating and maintaining revision control of the System Analysis Program for Hands-on Integrated Reliability Evaluations (SAPHIRE) Version 8 quality assurance program documentation and of monitoring revision control of the SAPHIRE Version 8 source code. This report summarizes the oversight efforts through description of the revision control system (RCS) setup, operation and contents. Documents maintained under revision control include the Acceptance Test Plan (ATP), Configuration Management Plan, Quality Assurance Plan, Software Project Plan, Requirements Traceability Matrix (RTM), System Test Plan, Significance Determination Process (SDP) Interface Training Manual, and the SAPHIRE 8 “New Features and Capabilities Overview.” These documents are referred to and can be transmitted upon request of the Nuclear Regulatory Commission (NRC) Contracting Officer’s Representative (COR).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Cost and Performance Analysis for Five Existing Geothermal Heat Pump-Based District Energy Systems in the United States

District energy systems supplied by geothermal heat pumps (GHPs) have been deployed across the United States for both heating and cooling end uses. To better understand their performance and potential, the geothermal research team at the National Renewable Energy Laboratory analyzed cost and performance of five existing GHP-based district energy systems in the United States. The five systems selected are Ball State University in Indiana, Colorado Mesa University in Colorado, Miami University in Ohio, West Union in Iowa, and Whisper Valley in Texas. The necessary information, including district size, operation period, GHP performance, and costs, was collected through literature review and interviews. The survey results indicated the five systems studied consist of geothermal borehole field(s) and ground loop(s) connected to central loop. While the GHPs were in central plants at Ball State University and Miami University, the central loops at Colorado Mesa University, West Wood, and Whisper Valley were connected through service lines to individual heat pumps in each building. Our analysis indicates the systems have been operating reliably and cost-effectively and contributed to a reduction in carbon emissions.

15 GEOTHERMAL ENERGY↗
DOE OSTI2018

Information Signals in Automatic Production Control Systems

Attention focuses on the functional relations between the information signals processed in automatic production control systems, with a view to constructing a monitoring system for network interactions that is able to detect abnormal operation. The parameters of information signals, types of functional relations, and methods of determining such relations by statistical analysis are described. The sample size for reliable determination of the basic relations between the information signals is estimated.

42 ENGINEERING↗
NASA NTRS1972

NERVA nozzle design status report

The results of the design analyses are presented along with the status of the attained design maturity of the structural elements of the nozzle jacket and various aspects of the coolant passages. The design analyses relating to the nozzle shell were based on design allowables as supported by cursory values obtained from ARMCO 22-13-5 nozzle forgings. The major aspects of the coolant passages considered include: low cycle thermal fatigue, ability to operate at 4500 R gas temperature, tube buckling, and susceptibility to erosion. The scope of the analysis is limited to processes leading to reliability assessments of failure mechanisms.

Williams, J. J.↗
NASA NTRS1972

Isotope Brayton electric power system for the 500 to 2500 watt range.

An extensive study was conducted at the Lewis Research Center to evaluate an isotope Brayton electric power system for use in the 500 to 2500 W power range. The study emphasized overall system simplicity in order to reduce parasitic power losses and improve system reliability. The study included detailed parametric cycle analysis, conceptual component designs, and evaluation of system packaging. The study has resulted in the selection of a single-loop system (gas) with six major components including one rotating unit. Calculated net system efficiency varies from 23 to 28% over the power range. The use of the Pu-238 heat source being developed for the Multi-Hundred-Watt Radioisotope Thermoelectric Generator program was assumed.

Macosko, R. P.↗