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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 397 records · Page 22

The detrimental ratio ( ρ ): A critical metric complementing coulombic loss for long calendar-life silicon-based lithium-ion batteries

Silicon (Si) is a promising high-capacity anode in lithium-ion batteries but suffers from chronic chemical degradation and capacity fading during calendar aging, greatly hindering its automobile applications. Electrolyte engineering currently relies on conventional evaluation criteria of reducing coulombic consumption, which implicitly presume its equivalence to irreversible capacity loss and complicates battery development. Here, we introduce the detrimental ratio p to quantify the fraction of parasitic species that permanently degrades active material. This metric is independent and crucially complements total coulombic consumption for accurate performance evaluation. We systematically investigate multiple electrolyte formulations using high-precision leakage current measurements, open-circuit-voltage experiments, and post-mortem characterizations. Although some electrolytes exhibit similarly low coulombic consumption, they diverge significantly incapacity retention and p. Especially, dimethyl-carbonate-based localized-high concentration electrolyte can synergically achieve low coulombic consumption and detrimental ratio p during calendar aging, owing to its chemically inert and structurally resilient solidelectrolyte interface with minimal isolated Si material. By contrast, increasing fluoroethylene carbonate (FEC) additive content suppresses electrolyte breakdown but suffers aggravated chemical degradation of more LixSi isolation for irreversible capacity loss with arising p. This study critically reveals that the chemistry-characteristic detrimental ratio p establishes physically informed performance evaluation to pave the way for accelerating battery development.

Calendar aging↗

Cumulative Poisson Distribution Program

Overflow and underflow in sums prevented. Cumulative Poisson Distribution Program, CUMPOIS, one of two computer programs that make calculations involving cumulative Poisson distributions. Both programs, CUMPOIS (NPO-17714) and NEWTPOIS (NPO-17715), used independently of one another. CUMPOIS determines cumulative Poisson distribution, used to evaluate cumulative distribution function (cdf) for gamma distributions with integer shape parameters and cdf for X (sup2) distributions with even degrees of freedom. Used by statisticians and others concerned with probabilities of independent events occurring over specific units of time, area, or volume. Written in C.

Bowerman, Paul N.↗

Composing Teams with TEAMSTaR Tool for Evaluating and Mitigating Space Team Risk

As NASA sets its sights on more Earth-independent missions, the mission to Mars as a prime example, a team’s composition becomes a critical issue for mitigating the risks of such endeavors. The purpose of this project is to develop and validate TEAMSTaR (Tool for Evaluating And Mitigating Space Team Risks), a team composition decision support system that can be used by mission stakeholders (e.g., mission schedulers, crew members) to predict how a hypothetical team’s social relationships are likely to evolve and influence crew performance over the course of a mission. TEAMSTaR will enable decision makers to evaluate composition scenarios for a set of teams, for single-member replacements, and/or for subsets of teams.

N S Contractor↗

2023 Critical Materials Strategy

The global effort to curb carbon emissions is accelerating demand for clean energy technologies and the materials they rely on. Demand for these materials will only continue to grow, especially as some nations aim to achieve net zero emissions by 2050. While some major materials like steel, copper, and aluminum are already powering the fossil fuel economy, others are more minor materials with potential supply risks. These risks could jeopardize the ability to reduce greenhouse gas emissions within the desirable timeframe to avoid significant climate change. In some cases, it may be necessary to take action to improve the resilience of material supply chains and mitigate supply risks. Understanding the importance of individual materials to clean energy and the supply risks associated with them is necessary to identify which materials may serve as potential roadblocks to a clean energy future. The U.S. Department of Energy (DOE) issued a series of 13 supply chain deep dive assessment reports on various energy technologies in 2022 in response to President Biden’s Executive Order on America’s Supply Chains (E.O. 14017). These reports emphasized that supply chain bottlenecks can occur at any stage of the value chain from mining and refining to component and even sub-system manufacturing. The bottlenecks are a combination of factors such as material availability, equipment availability, work force availability and quality, logistics, regulatory framework, and market conditions. These bottlenecks were worsened during the global Covid-19 pandemic. Its lingering impacts have hindered capacity expansion for material supply chains and prevented product lead-time recovery. One approach to reduce supply chain risks for the United States is to have a strong domestic manufacturing sector with a diverse set of producers. Boosting responsible domestic production would require leveraging the latest science not only in material extraction but also in developing substitutes, recycling, reuse, and remanufacturing. This report is an updated analysis of previous Critical Materials Strategy (CMS) reports published by the DOE in 2010, 2011, and 2019 based on national and global priorities, technology advancement, and technology adoption trends. Like the CMS reports, this analysis presents the results of a formal material criticality assessment to identify which materials are critical to the continued deployment of clean energy technologies globally. The analysis in this report leveraged the DOE supply chain deep dive assessments to develop the initial list of materials to evaluate. This DOE Critical Materials Assessment (CMA) is conducted independently of criticality assessments performed by other U.S. government agencies, such as that conducted by the U.S. Geological Survey (USGS). This analysis complements the USGS critical minerals determination in three aspects. First, the DOE assessment is performed from a global perspective, while the USGS analysis focusses on the importance of minerals to the U.S. economy. Second, this report focuses on the importance of materials to clean energy technologies, rather than to the economy in general. Lastly, this study is forward looking to 2035 based on clean energy deployment scenarios, whereas the USGS assessment is retrospective. Materials evaluated in this report that do not appear in the USGS Critical Minerals List include copper, uranium, electrical steel, and SiC. A draft version of this report received ~80 public comments related to supporting data and methodological improvement. Those comments have been incorporated as much as possible where appropriate. Highlights of findings from this 2023 CMA include: Rare earth materials (neodymium, praseodymium, dysprosium, and terbium) used in magnets in electric vehicle (EV) motors and wind turbine generators continue to be critical. While dysprosium (Dy) and terbium (Tb) are both heavy rare earth elements that serve the same function in magnets, the criticality of Tb is slightly lower than that for Dy in the short term due to the widespread use of Dy in high-grade magnets and Tb’s present role as a substitute. Similarly, praseodymium (Pr) is critical in the medium term but only near critical in the short term because it is more substitutable in magnets than neodymium (Nd); Materials used in batteries for EVs and stationary storage are now considered to be critical. While cobalt (Co) was found to be critical in this and previous reports, lithium (Li) becomes critical in the medium term due to its broader use in various battery chemistries and the rampant growth of the EV industry. Natural graphite is a new addition in this assessment and is also found to be critical; Platinum group metals used in hydrogen electrolyzers, such as platinum (Pr) and iridium (Ir), are critical due to an increased focus on hydrogen technologies to achieve net zero carbon emissions, while those used in catalytic converters, such as rhodium (Rh) and palladium (Pd), were screened out due to the decreased importance of catalytic converters in the medium term; Gallium (Ga) continues to be critical due to its use in light-emitting diodes (LEDs). In addition, the use of Ga has increased in magnet manufacturing and in semiconductor in forms such as gallium arsenide (GaAs) or gallium nitride (GaN); Major materials like Aluminum (Al), copper (Cu), nickel (Ni), and silicon (Si) move from noncritical in the short term to near critical in the medium term due to their importance in electrification; Electrical steel is near critical due to its use in transformers for the grid and electric motors in EVs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Efficient evaluation of the Breit operator in the Pauli spinor basis

The frequency-independent Coulomb–Breit operator gives rise to the most accurate treatment of two-electron interaction in the non-quantum-electrodynamics regime. The Breit interaction in the Coulomb gauge consists of magnetic and gauge contributions. The high computational cost of the gauge term limits the application of the Breit interaction in relativistic molecular calculations. In this work, we apply the Pauli component integral–density matrix contraction scheme for gauge interaction with a maximum spin- and component separation scheme. We also present two different computational algorithms for evaluating gauge integrals. One is the generalized Obara–Saika algorithm, where the Laplace transformation is used to transform the gauge operator into Gaussian functions and the Obara–Saika recursion is used for reducing the angular momentum. The other algorithm is the second derivative of Coulomb interaction evaluated with Rys-quadrature. This work improves the efficiency of performing Dirac–Hartree–Fock with the variational treatment of Breit interaction for molecular systems. In conclusion, we use this formalism to examine relativistic trends in the Periodic Table and analyze the relativistic two-electron interaction contributions in heavy-element complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Passive microwave algorithm development and evaluation

The scientific objectives of this grant are: (1) thoroughly evaluate, both theoretically and empirically, all available Special Sensor Microwave Imager (SSM/I) retrieval algorithms for column water vapor, column liquid water, and surface wind speed; (2) where both appropriate and feasible, develop, validate, and document satellite passive microwave retrieval algorithms that offer significantly improved performance compared with currently available algorithms; and (3) refine and validate a novel physical inversion scheme for retrieving rain rate over the ocean. This report summarizes work accomplished or in progress during the first year of a three year grant. The emphasis during the first year has been on the validation and refinement of the rain rate algorithm published by Petty and on the analysis of independent data sets that can be used to help evaluate the performance of rain rate algorithms over remote areas of the ocean. Two articles in the area of global oceanic precipitation are attached.

Petty, Grant W.↗

The cluster decomposition of the configurational energy of multicomponent alloys

Abstract The cluster expansion method (CEM) is a widely used lattice-based technique in the study of multicomponent alloys. Despite its prevalent use, a clear understanding of expansion terms is lacking. We present a modern mathematical formalism of the CEM and introduce thecluster decomposition—a unique and basis-independent decomposition for functions of the atomic configuration in a crystal. We identify the cluster decomposition as an invariant ANOVA decomposition; and demonstrate how functional analysis of variance and sensitivity analysis can be used to interpret interactions among species. Furthermore, we show how the mathematical structure of the cluster decomposition enables numerical evaluation that scales with the number of clusters and is independent of the number of species. Overall, our work enables rigorous interpretations of interactions among species, provides opportunities to explore parameter estimation beyond linear regression, introduces a numerical efficient implementation, and enables analysis of cluster expansions based on established mathematical and statistical principles.

Chemistry↗

National and subnational short-term forecasting of COVID-19 in Germany and Poland during early 2021

During the COVID-19 pandemic there has been a strong interest in forecasts of the short-term development of epidemiological indicators to inform decision makers. In this study we evaluate probabilistic real-time predictions of confirmed cases and deaths from COVID-19 in Germany and Poland for the period from January through April 2021. We evaluate probabilistic real-time predictions of confirmed cases and deaths from COVID-19 in Germany and Poland. These were issued by 15 different forecasting models, run by independent research teams. Moreover, we study the performance of combined ensemble forecasts. Evaluation of probabilistic forecasts is based on proper scoring rules, along with interval coverage proportions to assess calibration. The presented work is part of a pre-registered evaluation study. We find that many, though not all, models outperform a simple baseline model up to four weeks ahead for the considered targets. Ensemble methods show very good relative performance. The addressed time period is characterized by rather stable non-pharmaceutical interventions in both countries, making short-term predictions more straightforward than in previous periods. However, major trend changes in reported cases, like the rebound in cases due to the rise of the B.1.1.7 (Alpha) variant in March 2021, prove challenging to predict. Multi-model approaches can help to improve the performance of epidemiological forecasts. However, while death numbers can be predicted with some success based on current case and hospitalization data, predictability of case numbers remains low beyond quite short time horizons. Additional data sources including sequencing and mobility data, which were not extensively used in the present study, may help to improve performance.

60 APPLIED LIFE SCIENCES↗

Performance Evaluation of Evasion Maneuvers for Parallel Approach Collision Avoidance

Current plans for independent instrument approaches to closely spaced parallel runways call for an automated pilot alerting system to ensure separation of aircraft in the case of a "blunder," or unexpected deviation from the a normal approach path. Resolution advisories by this system would require the pilot of an endangered aircraft to perform a trained evasion maneuver. The potential performance of two evasion maneuvers, referred to as the "turn-climb" and "climb-only," was estimated using an experimental NASA alerting logic (AILS) and a computer simulation of relative trajectory scenarios between two aircraft. One aircraft was equipped with the NASA alerting system, and maneuvered accordingly. Observation of the rates of different types of alerting failure allowed judgement of evasion maneuver performance. System Operating Characteristic (SOC) curves were used to assess the benefit of alerting with each maneuver.

Winder, Lee F.↗

Standalone Hazard Evaluation and Refinement From Instrument Findings (S.H.E.R.I.F.)

The Standalone Hazard Evaluation From Instrument Findings (SHERIF) system is a set of novel algorithms and associated framework designed to support the generation of Digital Elevation Maps (DEMs) from multiple LiDAR scans and perform Hazard Detection (HD) and Safe Site Identification (SSI) with no dependencies on other onboard systems. SHERIF can employ several techniques to perform robust 3D keypoint extraction and Point Cloud registration (PCR) on disparate LiDAR scans of a planetary surface to generate a DEM which evolves over the course of a trajectory. The framework also supports a variety of Hazard Detection and Safe Site Identification algorithms which can be applied to the evolving DEM being produced. SHERIF features a robust and modular construction, allowing the user a high degree of flexibility in selecting and implementing whichever keypoint identificaiton, PCR and HD/SSI algorithms they may prefer, while maintaining the data products and sensor independence of the core SHERIF framework. SHERIF was recently evaluated via simulation and hardware-in-the-loop experimental testing at NASA Johnson Space Center.

hazard detection↗

Standalone Hazard Evaluation and Refinement From Instrument Findings (S.H.E.R.I.F.)

The Standalone Hazard Evaluation From Instrument Findings (SHERIF) system is a set of novel algorithms and associated framework designed to support the generation of Digital Elevation Maps (DEMs) from multiple LiDAR scans and perform Hazard Detection (HD) and Safe Site Identification (SSI) with no dependencies on other onboard systems. SHERIF can employ several techniques to perform robust 3D keypoint extraction and Point Cloud registration (PCR) on disparate LiDAR scans of a planetary surface to generate a DEM which evolves over the course of a trajectory. The framework also supports a variety of Hazard Detection and Safe Site Identification algorithms which can be applied to the evolving DEM being produced. SHERIF features a robust and modular construction, allowing the user a high degree of flexibility in selecting and implementing whichever keypoint identificaiton, PCR and HD/SSI algorithms they may prefer, while maintaining the data products and sensor independence of the core SHERIF framework. SHERIF was recently evaluated via simulation and hardware-in-the-loop experimental testing at NASA Johnson Space Center.

hazard detection↗

Convective boundary layer budgets of moisture and sensible heat over an unstressed prairie

An evaluation of convective boundary layer budgets of sensible heat and moisture were examined for two days over the unstressed vegetation of the tallgrass Konza National Prairie. In addition to the budget evaluation the study had these goals: to estimate the area-average surface fluxes and compare them to independent, ground-based measurements, to estimate the near surface evaporative fraction, and to compare different evaluations of the ratio of surface to inversion fluxes, i.e., the entrainment parameter. The budget analyses indicate that vertical and horizontal advection were significant terms in the budget and cannot be ignored.

Grossman, Robert L.↗

Real-time optical holographic tracking of multiple objects

A coherent optical correlation technique for real-time simultaneous tracking of several different objects making independent movements is described, and experimental results are presented. An evaluation of this system compared with digital computing systems is made. The real-time processing capability is obtained through the use of a liquid crystal television spatial light modulator and a dichromated gelatin multifocus hololens. A coded reference beam is utilized in the separation of the output correlation plane associated with each input target so that independent tracking can be achieved.

Chao, Tien-Hsin↗

An analytical and experimental evaluation of airfoil sections for helicopter rotor application

The influence of the more independent airfoil parameters such as thickness, thickness distribution, leading-edge radius, camber, and camber distribution on lift-Mach number characteristics is investigated at lift coefficients up to near-maximum lift. The analysis is based on the drag divergence Mach number (Md) prediction techniques, where Md is the free-stream Mach number at which the rate of increase of drag coefficient with Mach number equals 0.1. The analytical results obtained indicate the compromises in Md which result from changes in thickness ratio, location of maximum thickness, leading edge radius, camber addition, and location of maximum camber for four- and five-digit airfoils and some six-series airfoils of potential interest for helicopters. An example of airfoil sections which combines several of the favorable geometric changes is evaluated analytically and experimentally. A comparison of results shows that the relative effect of the geometric changes on the lift coefficient-Md relation is realistic, and that the methods of analysis employed can be effectively used during preliminary vehicle design and airfoil selection.

Bingham, G. J.↗

Flight program language requirements. Volume 3: Appendices

Government-sponsored study and development efforts were directed toward design and implementation of high level programming languages suitable for future aerospace applications. The study centered around an evaluation of the four most pertinent existing aerospace languages. Evaluation criteria were established, and selected kernels from the current Saturn 5 and Skylab flight programs were used as benchmark problems for sample coding. An independent review of the language specifications incorporated anticipated future programming requirements into the evaluation. A set of language requirements was synthesized from these activities.

Source record↗

Flight program language requirements. Volume 2: Requirements and evaluations

The efforts and results are summarized for a study to establish requirements for a flight programming language for future onboard computer applications. Several different languages were available as potential candidates for future NASA flight programming efforts. The study centered around an evaluation of the four most pertinent existing aerospace languages. Evaluation criteria were established, and selected kernels from the current Saturn 5 and Skylab flight programs were used as benchmark problems for sample coding. An independent review of the language specifications incorporated anticipated future programming requirements into the evaluation. A set of detailed language requirements was synthesized from these activities. The details of program language requirements and of the language evaluations are described.

Source record↗

An experimental evaluation of software redundancy as a strategy for improving reliability

The strategy of using multiple versions of independently developed software as a means to tolerate residual software design faults is suggested by the success of hardware redundancy for tolerating hardware failures. Although, as generally accepted, the independence of hardware failures resulting from physical wearout can lead to substantial increases in reliability for redundant hardware structures, a similar conclusion is not immediate for software. The degree to which design faults are manifested as independent failures determines the effectiveness of redundancy as a method for improving software reliability. Interest in multi-version software centers on whether it provides an adequate measure of increased reliability to warrant its use in critical applications. The effectiveness of multi-version software is studied by comparing estimates of the failure probabilities of these systems with the failure probabilities of single versions. The estimates are obtained under a model of dependent failures and compared with estimates obtained when failures are assumed to be independent. The experimental results are based on twenty versions of an aerospace application developed and certified by sixty programmers from four universities. Descriptions of the application, development and certification processes, and operational evaluation are given together with an analysis of the twenty versions.

Eckhardt, Dave E., Jr.↗

An experimental evaluation of software redundancy as a strategy for improving reliability

The strategy of using multiple versions of independently developed software as a means to tolerate residual software design faults is suggested by the success of hardware redundancy for tolerating hardware failires. Although, as generally accepted, the independence of hardware failures resulting from physical wearout can lead to substantial increases in reliability for redundant hardware structures, a similar conclusion is not immediate for software. The degree to which design faults are manifested as independent failures determines the effectiveness of redundancy as a method for improving software reliability. Interest in multi-version software centers on whether it provides an adequate measure of increased reliability to warrant its use in critical applications. The effectiveness of multi-version software is studied by comparing estimates of the failure probabilities of these systems with the failure probabilities of single versions. The estimates are obtained under a model of dependent failures and compared with the estimates obtained when failures are assumed to be independent. The experimental results are based on twenty versions of an aerospace application developed and certified by sixty programmers from four universities. Descriptions of the application, development and certifications processes, and operational evaluation are given together with an analysis of the twenty versions.

Eckhardt, Dave E.↗