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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 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
NASA NTRS2019

CHIANTI-An Atomic Database for Emission Lines. XV. Version 9, Improvements for the X-Ray Satellite Lines

CHIANTI contains a large quantity of atomic data for the analysis of astrophysical spectra. Programs are available in IDL and Python to perform calculation of the expected emergent spectrum from these sources. The database includes atomic energy levels, wavelengths, radiative transition probabilities, rate coefficients for collisional excitation, ionization, and recombination, as well as data to calculate free–free, free–bound, and two-photon continuum emission. In Version 9, we improve the modeling of the satellite lines at X-ray wavelengths by explicitly including autoionization and dielectronic recombination processes in the calculation of level populations for select members of the lithium isoelectronic sequence and Fe XVIII–XXIII. In addition, existing data sets are updated, new ions are added, and new total recombination rates for several Fe ions are included. All data and IDL programs are freely available at http://www.chiantidatabase.org or through SolarSoft, and the Python code ChiantiPy is also freely available at https://github.com/chianti-atomic/ChiantiPy.

X-rays (general)↗
NASA NTRS2020

Over-Winter Persistence of Supraglacial Lakes on the Greenland Ice Sheet: Results and Insights From a New Model

We present a newly developed 1-D numerical energy-balance and phase transition supraglacial lake model: Glacier Lake. Glacier Lake incorporates snowfall, in situ snow and ice melt, incoming water from the surrounding catchment, ice lid formation, basal freeze-up and thermal stratification. Snow cover and temperature are varied to test lake development through winter and the maximum lid thickness is recorded. Average wintertime temperatures of −2 to −30◦C and total snowfall of 0 to 3.45 m lead to a range of the maximum lid thickness from 1.2 to 2.8 m after ~250 days, with snow cover exerting the dominant control. An initial ice temperature of −15◦C with simulated advection of cold ice from upstream results in 0.6 m of basal freeze-up. This suggests that lakes with water depths above 1.3 to 3.4 m (dependent on winter snowfall and temperature) upon lid formation will persist through winter. These buried lakes can provide a sizeable water store at the start of the melt season, expedite future lake formation and warm underlying ice even in winter.

glacier hydrology↗
NASA NTRS2023

Risk Trade-Space Analysis for Safe Human Expeditions to Mars

We assessed the integrated safety, health, and performance risk to crews on long-duration missions, specifically to Mars. Using a systems approach rather than one focused on individual countermeasures, we examined the trade space around several such risks to identify high-potential risk mitigation strategies and characterize aspects of Mars mission architectures that could lower aggregated risk. Current Mars Design Reference missions would require durations well over two years and would increase crew exposure to radiation and microgravity well beyond ISS levels, likely resulting in significantly reduced performance beyond our current capability to mitigate that could jeopardize mission success. A “fast Mars transit” round-trip mission concept was studied using an innovative flight dynamics approach to quantify the minimum total mission energy required for a Mars transit with total mission duration less than 400 days. This approach holds promise for sending humans to Mars and returning them safely with acceptable, potentially mitigatable, exposure to microgravity and radiation using current or near-term technologies. The fast transit concept would also result in fewer time-driven vehicle failures and enable sustainable deployment of humans and infrastructure to Mars on a regular cadence, allowing steady exploration and colonization of Mars. Finally, we conclude that reliance on the Low Earth Orbit (LEO) mission operations paradigm – i.e., one of near-complete real-time dependence on experts at Mission Control to manage the combined state of the mission, vehicle, and crew – is high risk given the communication delays and limited resupply of any Mars mission, and this risk is not eliminated by the shorter missions durations of fast transit scenarios. Based on historical trends, it is highly likely that the crew will face a high-consequence problem of uncertain origin during Mars transit when ground support will be greatly reduced. While it may be possible to reduce anomaly rates through improved reliability analysis and testing, and to reduce anomaly impacts through added robustness, such mitigations address only known failure modes and known uncertainties. Therefore, a radical shift in the Human-Systems Integration Architecture (HSIA) that defines the operational paradigm, systems design, and human-systems interactions is required to improve the risk posture to an acceptable level regardless of mission duration.

Mars↗
NASA NTRS2023

Experimental and Semiclassical Stark Widths and Shifts for Spectral Lines of Neutral and Ionized Atoms (A Critical Review of Experimental and Semiclassical Data for the Period 2008 through 2020)

This Review Article compares new experimental and corresponding semiclassical Stark broadened data for non-hydrogenic spectral lines of neutral atoms and positive ions. This Review covers the period 2008 until the end of 2020 and presents the continuation of previous critical reviews from 1976 (two), 1984 (two), 1990, 2002, and one from 2009. This Review reports the Stark broadening parameters of 1665 spectral lines belonging to 35 elements with 61 different atomic and ion species. The data are taken from 60 papers. Experimental data are arranged by elements and spectra, and these are reported in tables in alphabetical and numerical order, respectively. Each experimental Stark broadening parameter is followed with estimated accuracy. The experimental Stark broadening and shift data presented in the tables are compared with the corresponding semiclassical results available in the literature. In addition, for comparison experiments versus semiclassical theoretical Stark broadening parameters, a numerically improved theoretical approach developed based on Griem and co-workers’ theory is used to evaluate Stark widths and shifts of all studied lines whenever required atomic energy levels data and transition probabilities are available. At the end of the text report, for each analyzed neutral or ion species, the information about the location of the same species data in preceding reviews is given.

Plasma line broadening↗
DOE OSTI2023

PR100 One-Year Progress Update: Preliminary Modeling Results and High-Resolution Solar and Wind Data Sets

The Puerto Rico Grid Resilience and Transitions to 100% Renewable Energy Study (PR100) is a 2-year study by the U.S. Department of Energy's (DOE's) Grid Deployment Office and six national laboratories to comprehensively analyze stakeholder-driven pathways to Puerto Rico's clean energy future. In Year 1 of the study, the PR100 team rigorously modeled and analyzed scenarios that meet Puerto Rico's renewable energy targets and achieve short-term recovery goals and long-term energy resilience. This presentation will be showcased in the form of a public webinar, which summarizes PR100 progress in Year 1, provides considerations that can inform potential funding and implementation decisions by key federal and local agencies and stakeholders. The presentation follows the publication in July 2022 of a PR100 Six-Month Progress Update (in English and Spanish), as well as public webinars in February 2022 to kick off the study and in July 2022 to present the 6-month update. A final written report and web-based visuals will be published in late 2023. All publications and public events associated with the study will be available in Spanish and English. This report is also available in Spanish: https://www.nrel.gov/docs/fy23osti/85201.pdf.

100%↗
DOE OSTI2023

NMPC for Setpoint Tracking Operation of a Solid Oxide Electrolysis Cell System

Solid oxide electrolysis cells (SOECs) are a promising technology to generate hydrogen through water electrolysis. However, intermittent renewable energy requires SOECs to transition between hydrogen production setpoints as the price of electricity fluctuates. A well-functioning control system is important to avoid cell degradation during setpoint tracking operation. In this work, we apply nonlinear model predictive control (NMPC) to an SOEC module and supporting equipment and compare NMPC performance to classical PI control while ramping between hydrogen production setpoints. We find that these control methods provide similar performance in many metrics, but NMPC significantly reduces cell thermal gradients during the setpoint transition.

Allan, Douglas↗
DOE OSTI2024

PR100 Final Results

This presentation includes a summary of the final results from the Puerto Rico Grid Resilience and Transition to 100% Renewable Energy Study (PR100). Led by the U.S. Department of Energy's Grid Deployment Office and the National Renewable Energy Laboratory, and funded by the Federal Emergency Management Agency, the PR100 Study was a two-year effort resulting in stakeholder-driven pathways for Puerto Rico to meet its clean energy goals. For Spanish version see https://www.nrel.gov/docs/fy24osti/88975.pdf.

100% renewable energy target↗
DOE OSTI2024

A Path to Navigating the Storm: Load Forecasting and Increasing Resilience in Puerto Rico

Puerto Rico Grid Resilience and Transitions to 100% Renewable Energy Study (PR100) provided a comprehensive analysis of pathways for Puerto Rico to achieve its goal of 100% renewable energy by 2050, based on extensive stakeholder input. The study illuminates immediate and longer-term investments needed to achieve reliability while pursuing Puerto Rico's energy goals and addressing critical energy needs. Expected benefits of these investments include improvements in safety, security, health, and economic opportunity.

ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Decarbonizing Hydrogen Production: Assessing A Net-Negative Pathway

Hydrogen is gaining prominence as a key factor in the world's transition to a cleaner energy future. The International Energy Agency (IEA)'s Global Hydrogen Review 2023 reports that the number of low-emission hydrogen production projects is increasing rapidly. The potential for growth in new applications such as heavy industry, transportation, and power generation is significant. The IEA urges more decisive action to spur demand for low-emission hydrogen to achieve climate goals. While hydrogen is produced through various industrial methods, each with its own advantages and disadvantages, low-carbon hydrogen is critical for mitigating climate change and is incentivized by the Clean Hydrogen Production Tax Credit (45V). To this end, we have evaluated a commercial technology that can produce low- or negative-carbon hydrogen via ethanol catalytic oxidative reforming. This study assessed life cycle greenhouse gas emissions (carbon intensity or CI) associated with the hydrogen production technology. A total of 24 scenarios were evaluated, encompassing (a) Gen1 versus Gen2 ethanol inputs, (b) carbon capture and sequestration (CCS) of upstream fermentation CO2, and (c) oxygen sourcing via air separation unit (ASU) versus purchased or on-site production of oxygen as a byproduct of hydrogen electrolysis with a proton exchange membrane (PEM). Key findings include that the base case CI for hydrogen production using Gen2 ethanol from corn stover is lower than Gen1 dry mill corn ethanol. The study also points out that the CI for hydrogen production using PEM-O2 is lower than that using ASU-O2, whether the PEM-O2 is produced on-site or off-site (importing). When sourcing oxygen from on-site PEM-O2, the Gen1 and Gen2 ethanol-derived hydrogen exhibit favorable net-negative CI values for all evaluated scenarios, especially if the upstream ethanol CCS is included. As a reference, the 45V regulatory threshold for generating clean hydrogen tax credits is a CI below 0.45 kg CO2e/kg hydrogen.

BIOMASS FUELS,HYDROGEN↗
NASA NTRS1978

Rotational inelasticity in high-energy H2-H2 collisions

Rotational cross sections for transitions in the H2-H2 system have been calculated for energies up to about 2.0 eV and for rotor levels up to j = 11 in the effective potential approximation. The cases of para H2-para H2, ortho H2-ortho H2 and ortho H2-para H2 are considered. Correlations and trends in the cross sections have been examined, and it is shown that the high-energy collisions are dominated by coupling effects. The results of this analysis also suggest that the collision process may be profitably viewed as a diffusion of probability among the levels.

Ramaswamy, R.↗
DOE OSTI2024

Nanoengineering of 2D MBenes for energy storage applications: A review

2D transition metal borides (MBenes), a flourishing member of the 2D nanomaterial family, show great potential in a number of study areas. MBenes have received increasing attention thanks to their excellent electrical conductivity, structural and mechanical properties, and chemical stability, which have captivated researchers and sparked further exploration. Extensive theoretical and experimental investigations have unveiled its remarkable potential as electrode materials for electrochemical storage applications, making MBenes a subject of great interest. Despite the growing interest and numerous studies conducted, there is a lack of a comprehensive and systematic appraisal of MBenes' applications in electrochemical energy storage systems. Here, in light of this, firstly, we provide an overview of the current progress in the fabrication and characterization of MAB phases and MBenes. For the synthesis of MBenes, the following fabrication techniques were discussed; liquid-phase exfoliation, solid-state mechanical exfoliation, chemical vapor deposition, high-pressure chemical vapor deposition, microwave-assisted chemical etching, and ultrasound-assisted chemical etching methods. Then, we delve into the captivating potential of MBenes, specifically in the realm of energy storage applications and their role in enhancing electrochemical storage capabilities. The discussion encompasses their application in lithium-ion, lithium-sulfur, and lithium-selenide batteries, supercapacitors and other energy storage systems, providing a comprehensive perspective on their contributions to the energy landscape. Finally, a brief but significant summary of the challenges and opportunities of MBenes in practical applications was summarized. The present review provides a guide and scientific motivation for creating and developing advanced MBene-based nanomaterials, addressing the growing demand for cutting-edge energy storage systems.

25 ENERGY STORAGE↗
NASA NTRS1987

Theory of transition-layer emission measures and coronae

The basic equations describing the energy equilibria, the conductive heat flux, and the temperature stratifications for stellar transition layers and coronae with 'open' field lines are summarized. The temperature dependence of the emission measures for lines originating in different temperature regions of the transition zone is determined. It is found that the stellar transition regions consist of two basically different parts: the lower part where mechnical energy input is balanced by the radiative losses, and the upper part where the mechanical energy input is balanced by the divergence of the conductive flux and radiative losses. In the lower part, the temperature stratification is determined by an equilibrium between mechanical flux input and radiative energy losses. The coronal temperatures increase with increasing mechanical flux and damping length in the upper transition zone.

Bohm-Vitense, Erika↗
DOE OSTI2020

Paving the Way for Net Zero Energy Codes through Performance Based Approaches

The prescriptive path is the most widely used approach for commercial code compliance in the United States. However, to achieve near-term net zero energy performance that many stakeholders in the buildings industry desire, it is clear that energy codes will need to transition from prescriptive to performance-based approaches. However, that transition is not without potential pitfalls. Among the concerns expressed by stakeholders are added complexity and cost, lack of confidence in energy modeling results, gamesmanship on the part of applicants, lack or qualified reviewers, challenges in promoting de-carbonization, and the inequity of trading long lived envelope efficiency for short lived measures such as building controls. This paper will discuss multiple approaches being evaluated and implemented by Pacific Northwest National Laboratory to improve the usability of the performance-based approach for both code compliance and beyond code programs to meet aggressive energy savings targets. A 'system performance' approach provides a simpler approach compared to whole building performance, while keeping tradeoffs limited to specific building systems. A simplified whole-building performance-based approach for small commercial buildings can cost effectively achieve deeper savings for buildings that typically follow the prescriptive compliance approach. Improved reporting and verification processes applied to the traditional performance path can provide greater confidence in simulation results and facilitate adoption of performance-based approaches. Prescriptive packages provide prescriptive solutions while targeting specific performance thresholds. This paper discusses the progress being made with each of these approaches and provides examples of their implementation in energy codes and beyond code programs.

Performance Based Codes, Appendix G, PRM, TSPR, Sy↗
DOE OSTI2024

Energy Systems Decarbonization: Perspectives on Electric Vehicles and Grid Integration

The imperative for strong and rapid emissions reductions to mitigate global warming and enhance air quality necessitates a transition to net-zero emissions. This shift requires significant changes throughout the entire energy supply-demand ecosystems, tailored to various sectors. Transportation stands as the least-diversified energy sector and the largest source of U.S. GHG emissions. As the primary catalyst for vehicle decarbonization when paired with clean electricity, electric vehicles (EVs) will play a pivotal role in the future. EVs are poised to drive substantial growth in electricity demand and presents a unique opportunity to provide demand-side flexibility that is crucial for future renewable-dominated electricity systems. Smart integration of EVs can strengthen the grid, reducing costs and enhancing resilience. At NREL, laying the scientific groundwork to actualize this vision: our research is finding ways for EVs to support grid planning and operations across several timescales and to fully exploit the synergies between EVs and renewables.

ADVANCED PROPULSION SYSTEMS,POWER TRANSMISSION AND↗
DOE OSTI2023

The highly exothermic hydrogen abstraction reaction H 2 Te + OH → H 2 O + TeH: comparison with analogous reactions for H 2 Se and H 2 S

The “gold standard” CCSD(T) method is adopted along with the correlation consistent basis sets up to aug-cc-pV5Z-PP to study the mechanism of the hydrogen abstraction reaction H 2 Te + OH. Here, the predicted geometries and vibrational frequencies for reactants and products are in good agreement with the available experimental results. With the ZPVE corrections, the transition state in the favorable pathway of this reaction energetically lies 1.2 kcal mol -1 below the reactants, which is lower than the analogous relative energies for the H 2 Se + OH reaction (-0.7 kcal mol -1 ), the H 2 S + OH reaction (+0.8 kcal mol -1 ) and the H 2 O + OH reaction (+9.0 kcal mol -1 ). Accordingly, the exothermic reaction energies for these related reactions are predicted to be 47.8 (H 2 Te), 37.7 (H 2 Se), 27.1 (H 2 S), and 0.0 (H 2 O) kcal mol -1 , respectively. Geometrically, the low-lying reactant complexes for H 2 Te + OH and H 2 Se + OH are two-center three-electron hemibonded structures, whereas those for H 2 S + OH and H 2 O + OH are hydrogen-bonded. With ZPVE and spin–orbit coupling corrections, the relative energies for the reactant complex, transition state, product complex, and the products for the H 2 Te + OH reaction are estimated to be -13.1, -1.0, -52.0, and -52.6 kcal mol -1 , respectively. Finally, twenty-eight DFT functionals have been tested systematically to assess their ability in describing the potential energy surface of the H 2 Te + OH reaction. The best of these functionals for the corresponding energetics are -9.9, -1.4, -46.4, and -45.4 kcal mol -1 (MPWB1K), or -13.1, -2.4, -57.1, and -54.6 kcal mol -1 (M06-2X), respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Structure in the event-by-event energy-dependent neutron-$γ$ multiplicity correlations in 252 Cf(sf)

The emission of neutrons and γ rays by fission fragments reveal important information about the properties of fragments immediately following scission. The initial fragment properties, correlations between fragments, and emission competition give rise to correlations in neutron-γ emission. Recent theoretical and experimental advances have been proposed to explain the mechanism of angular momentum generation in fission, which would result in observable signature in neutron-γ emission correlations. In this paper, we present a novel analysis method of neutrons and γ rays emitted by fission fragments that allows us to discern structure in the observed correlations. We have analyzed data collected on 252 Cf (sf) at the Chi-Nu array at the Los Alamos Neutron Science Center. Through our analysis of the energy-differential neutron-γ multiplicity covariance, we have observed enhanced neutron-γ correlations, corresponding to rotational band γ-ray transitions, at γ-ray energies of 0.7 and 1.2 MeV. To shed light on the origin of this structure, we compare the experimental data with the predictions of three model calculations. The origin of the observed correlation structure is understood in terms of a positive spin-energy correlation in the generation of angular momentum in fission.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Non-oscillatory no-scale inflation

We propose a non-oscillatory no-scale supergravity model of inflation (NO-NO inflation) in which the inflaton does not oscillate at the end of the inflationary era. Instead, the Universe is then dominated by the inflaton kinetic energy density (kination). During the transition from inflation to kination, the Universe preheats instantly through a coupling to Higgs-like fields. These rapidly annihilate and scatter into ultra-relativistic matter particles, which subsequently dominate the energy density, and reheating occurs at a temperature far above that of Big Bang Nucleosynthesis. After the electroweak transition, the inflaton enters a tracking phase as in some models of quintessential inflation. The model predictions for cosmic microwave background observables are consistent with Planck 2018 data, and the density of gravitational waves is below the upper bound from Big Bang Nucleosynthesis. Furthermore, we also find that the density of supersymmetric cold dark matter produced by gravitino decay is consistent with Planck 2018 data over the expected range of supersymmetric particle masses.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Interplay of water and a supramolecular capsule for catalysis of reductive elimination reaction from gold

Abstract Supramolecular assemblies have gained tremendous attention due to their ability to catalyze reactions with the efficiencies of natural enzymes. Using ab initio molecular dynamics, we identify the origin of the catalysis by the supramolecular capsule Ga 4 L 6 12− on the reductive elimination reaction from gold complexes and assess their similarity to natural enzymes. By comparing the free energies of the reactants and transition states for the catalyzed and uncatalyzed reactions, we determine that an encapsulated water molecule generates electric fields that contributes the most to the reduction in the activation free energy. Although this is unlike the biomimetic scenario of catalysis through direct host-guest interactions, the electric fields from the nanocage also supports the transition state to complete the reductive elimination reaction with greater catalytic efficiency. However it is also shown that the nanocage poorly organizes the interfacial water, which in turn creates electric fields that misalign with the breaking bonds of the substrate, thus identifying new opportunities for catalytic design improvements in nanocage assemblies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗