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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
NASA NTRS1981

On the low-lying states of MgO. II

Using a double zeta plus polarization basis set of Slater orbitals, full valence MCSCF (FVMCSCF) calculations were performed for the low-lying states of MgO. For each state the FVMCSCF calculations were used to identify the important configurations which are then used in the MCSCF calculation and subsequently as references in a single and double excitation CI calculation. This approach is found to treat all states equivalently, with the maximum error in the computed transition energies and equilibrium bond lengths of 800/cm and approximately 0.03 A, respectively. The b 3 Sigma + state which has yet to be characterized experimentally is predicted to have a transition energy of approximately 8300/cm and a bond length of 1.79 A. A spectroscopic analysis of the potential curves indicates that their shapes are in quite reasonable agreement with the range of experimental results.

Bauschlicher, C. W., Jr.↗
DOE OSTI2022

Grid Energy Storage: Supply Chain Deep Dive Assessment

The report “America’s Strategy to Secure the Supply Chain for a Robust Clean Energy Transition” lays out the challenges and opportunities faced by the United States in the energy supply chain as well as the Federal Government plans to address these challenges and opportunities. It is accompanied by several issue-specific deep dive assessments, including this one, in response to Executive Order 14017 “America’s Supply Chains,” which directs the Secretary of Energy to submit a report on supply chains for the energy sector industrial base. The Executive Order is helping the Federal Government to build more secure and diverse U.S. supply chains, including energy supply chains. To combat the climate crisis and avoid the most severe impacts of climate change, the U.S. is committed to achieving a 50 to 52 percent reduction from 2005 levels in economy-wide net greenhouse gas pollution by 2030, creating a carbon pollution-free power sector by 2035, and achieving net zero emissions economy-wide by no later than 2050. The U.S. Department of Energy (DOE) recognizes that a secure, resilient supply chain will be critical in harnessing emissions outcomes and capturing the economic opportunity inherent in the energy sector transition. Potential vulnerabilities and risks to the energy sector industrial base must be addressed throughout every stage of this transition. The DOE energy supply chain strategy report summarizes the key elements of the energy supply chain as well as the strategies the U.S. Government is starting to employ to address them. Additionally, it describes recommendations for Congressional action. DOE has identified technologies and crosscutting topics for analysis in the one-year time frame set by the Executive Order. Along with the capstone policy report, DOE is releasing 11 deep dive assessment documents, including this one, covering the following technology sectors: carbon capture materials; electric grid including transformers and high voltage direct current (HVDC); energy storage; fuel cells and electrolyzers; hydropower including pumped storage hydropower (PSH); neodymium magnets; nuclear energy; platinum group metals and other catalysts; semiconductors; solar photovoltaics (PV); and wind. DOE is also releasing two deep dive assessments on the following crosscutting topics: Commercialization and competitiveness; and cybersecurity and digital components. More information can be found at www.energy.gov/policy/supplychains.

25 ENERGY STORAGE↗
NASA NTRS1981

Photoexcitation and ionization in carbon dioxide - Theoretical studies in the separated-channel static-exchange approximation

Vertical-electronic static-exchange photoexcitation and ionization cross sections are reported which provide a first approximation to the complete dipole spectrum of CO2. Separated-channel static-exchange calculations of vertical-electronic transition energies and oscillator strengths, and Stieltjes-Chebyshev moment methods were used in the development. Detailed comparisons were made of the static-exchange excitation and ionization spectra with photoabsorption, electron-impact excitation, and quantum-defect estimates of discrete transition energies and intensities, and with partial-channel photoionization cross sections obtained from fluorescence measurements and from tunable-source and (e, 2e) photoelectron spectroscopy. Results show that the separate-channel static-exchange approximation is generally satisfactory in CO2.

Padial, N.↗
DOE OSTI2024

2024 JISEA Annual Meeting: Session 2

This is the presentation for the 2024 JISEA Annual Meeting Session 2: Technology-Society Interface, which took place on February 26, 2024. The presentation includes slides from Maria Curry-Nkansah, Senior Research Advisor at NREL, on clean energy transition case studies.

clean energy technologies↗
DOE OSTI2021

Energy System Transitions and Low-Emission Pathways in Australia, Brazil, Canada, China, EU-28, India, Indonesia, Japan, Republic of Korea, Russia, and United States

The Paris Agreement invited Parties to submit long-term, low-emission development strategies. This study presents national low-emission scenarios to inform such strategies for Australia, Brazil, Canada, China, EU, India, Indonesia, Japan, Russia, Republic of Korea and the USA. The study uses country-level energy–economy and integrated assessment models (IAMs) that incorporate detailed and disaggregated representations of the energy demand and supply systems that are difficult to capture in global IAMs. Models were used to explore low-carbon pathways up to 2050, providing insights in their implications for country emissions, energy system restructuring, energy–economy indicators and system costs. The analysis shows that the low-carbon scenarios of most economies studied here are consistent with pathways limiting global warming to below 2 °C.

Fragkos, Panagiotis↗
DOE OSTI2024

(C2C): Clean Energy to Communities Annual Highlights 2023

C2C provides support to communities at any stage of their clean energy transition through three distinct offerings: in-depth partnerships, peer-learning cohorts, and expert match. This 2023 annual highlights report looks at the program's accomplishments since it launched in January 2023.

annual highlights↗
DOE OSTI2025

Opportunities for Cerium Valorization in the Rare Earth Supply Chain

Rare earth (RE) elements are co-located in ore deposits and must be treated together during the difficult extraction and separation. Cerium is the majority element in most deposits (> 50 %), and the growing need for Nd, Pr and the heavy lanthanides in permanent magnets and other energy transition technologies results in costly stockpiling of cerium oxide which has low demand. Finding new high-value applications for cerium or its compounds is therefore a sought-after goal to improve the profitability of rare earth mining and processing. Here, this contribution will highlight the use of cerium in high-strength aluminum alloys and the preparation of Ce-based permanent magnets as two emerging technologies for high-value products that have potential to stabilize the fluctuating rare earth market, substitute critical materials, support the nascent domestic rare earth industry and provide technologies for the pending green energy transition.

Energy - Conversion, Materials science↗
NASA NTRS2003

Spectroscopy-Based Characterization of Single Wall Carbon Nanotubes

We present the initial results of our combined investigation of Raman scattering and optical absorption spectroscopy in a batch of single wall carbon nanotubes (SWNTs). The SWNT diameters are first estimated from the four radial breathing mode (RBM) peaks using a simple relation of omega(sub RBM) = 248/cm nm/d(sub t)(nm). The calculated diameter values are related to the optical absorption peaks through the expressions of first interband transition energies, i.e., E(sup S)(sub 11) = 2a gamma/d(sub t) for semiconducting and E(sup S)(sub 11) = 6a gamma/d(sub t) for metallic SWNTs, respectively, where a is the carbon-carbon bond length (0.144 nm) and gamma is the energy of overlapping electrons from nearest neighbor atoms, which is 2.9 eV for a SWNT. This analysis indicates that three RBM peaks are from semiconducting tubes, and the remaining one is from metallic tubes. The detailed analysis in the present study is focused on these three peaks of the first absorption band by determining the values of the representative (n,m) pairs. The first step of analysis is to construct a list of possible (n,m) pairs from the diameters calculated from the positions of the RBM peaks. The second step is to compute the first interband transition energy, E(sub 11), by substituting the constructed list of (n,m) into the expression of Reich and Thomsen, and Saito et al. Finally, the pairs with the energies closest to the experimental values are selected.

Namkung, Min↗
DOE OSTI2021

Structural stability and artificial buckling modes in topology optimization

Abstract This paper demonstrates how a strain energy transition approach can be used to remove artificial buckling modes that often occur in stability constrained topology optimization problems. To simulate the structural response, a nonlinear large deformation hyperelastic simulation is performed, wherein the fundamental load path is traversed using Newton’s method and the critical buckling load levels are estimated by an eigenvalue analysis. The goal of the optimization is to minimize displacement, subject to constraints on the lowest critical buckling loads and maximum volume. The topology optimization problem is regularized via the Helmholtz PDE-filter and the method of moving asymptotes is used to update the design. The stability and sensitivity analyses are outlined in detail. The effectiveness of the energy transition scheme is demonstrated in numerical examples.

Dalklint, Anna (ORCID:0000000346195205)↗
DOE OSTI2020

US energy system transitions under cumulative emissions budgets

Cumulative emissions budgets are increasingly being used by decision makers and analysts to understand emissions reductions and associated transitions in the context of long-term goals such as limiting global mean temperature increase over the century to 1.5 or 2°C (IPCC, 2014). While previous studies have explored the implications of cumulative emissions budgets for the global economy, few studies have conducted regional and national-level analyses (Iyer et al., 2015; Riahi et al., 2015). This paper explores cumulative emissions budgets through 2050 consistent with the 1.5 and 2°C long-term temperature goals in the context of the United States. We employ a state-level model of the United States embedded within a global human-Earth system model (GCAM-USA) to study the implications of such budgets for the U.S. energy system (Iyer et al., 2017a; Iyer et al., 2017b). Our results show that achieving the stringent cumulative emissions budgets entails accelerated deployment of energy conserving technology, almost complete decarbonization of the power sector and increased electrification of buildings and industrial end-use sectors and decarbonization of transport employing a combination of electrification and the substitution of bioenergy for fossil fuels by the mid-century. We also find substantial state-level differences in the relative roles of these decarbonization strategies. Furthermore, our results highlight that increased ambition in the near-term will be valuable in setting the stage for smoother transformations in the future to achieve stringent cumulative emissions budgets consistent with long-term temperature goals established by the international community.

Feijoo, Felipe↗
DOE OSTI2022

MultiSector Dynamics: Advancing the Science of Complex Adaptive Human-Earth Systems

The field of MultiSector Dynamics (MSD) explores the dynamics and co-evolutionary pathways of human and Earth systems with a focus on critical goods, services, and amenities delivered to people through interdependent sectors. This commentary lays out core definitions and concepts, identifies MSD science questions in the context of the current state of knowledge, and describes ongoing activities to expand capacities for open science, leverage revolutions in data and computing, and grow and diversify the MSD workforce. Central to our vision is the ambition of advancing the next generation of complex adaptive human-Earth systems science to better address interconnected risks, increase resilience, and improve sustainability. This will require convergent research and the integration of ideas and methods from multiple disciplines. Understanding the tradeoffs, synergies, and complexities that exist in coupled human-Earth systems is particularly important in the context of energy transitions and increased future shocks.

Reed, Patrick↗
DOE OSTI2025

Creating Accurate Methane Emission Inventories through Data-Driven Airborne Survey Strategies

Because natural gas emits less carbon than other fossil fuels, it holds promise as a green energy transition fuel. However, the overall carbon footprint of natural gas is significantly elevated by methane emissions that occur during its production and transmission (Cusworth et al. 2022). Methane “super-emitters,” while comprising only about 1% of sites, are responsible for the majority of oil- and gas-sourced methane emissions, making their detection and mitigation critical in reducing the climate impact of natural gas and in meeting national and global sustainability goals (Sherwin et al. 2024). Yet, despite advancements in detection, significant uncertainties remain regarding the size, frequency, and duration distributions of methane emissions (e.g., Frankenberg et al. 2016, Cusworth et al. 2022, Chen, Sherwin et al. 2022, Conrad et al. 2023, Johnson et al. 2023, Sherwin et al. 2024) underscoring the need for comprehensive emissions inventories segmented by basin across the US. Airborne surveys are well-suited for collecting data to build these comprehensive, basin-level inventories because they allow for extensive spatial coverage, and have the spatial resolution, and the sensitivity to pinpoint individual methane sources. As remote sensing technologies enable rapid basin-scale surveys, it is imperative to establish scientifically and statistically robust standards to generate reliable and actionable emissions inventories. Recent work has shown that differences in airborne sampling strategies, detection technologies, and analysis can lead to large differences between survey conclusions if not correctly accounted for (Chen et al. 2024). This elevates the importance of incorporating proper sampling and analysis techniques when designing a methane emissions monitoring campaign to produce accurate results and facilitate cross-study comparisons. In this paper, we describe a survey strategy designed using the latest conclusions from the literature to align results from different aerial surveys. We identify several sampling and analysis principles, including large sample sizes, balanced sampling across oil and gas production, careful survey area definition, and a unified protocol for analysis, to be vital to producing an unbiased estimate of basin-scale emissions. We present results from a Department of Energy-funded project that deployed this survey strategy in two understudied oil and gas- producing regions in the United States: the Haynesville Basin in Texas and Louisiana, and the Woodford Shale in the Anadarko Basin in Oklahoma.

03 NATURAL GAS↗
DOE OSTI2020

High-order harmonic generation in solid C 60

High-order harmonic generation (HHG) has unleashed the power of strong laser physics in solids. Here we investigate HHG from a large system, solid C 60 , with 240 valence electrons engaging harmonic generation at each crystal momentum. We employ the density functional theory and the time-dependent Liouville equation of the density matrix to compute HHG signals. We find that under a moderately strong laser pulse, HHG signals reach 15th order, consistent with the experimental results from C 60 plasma. The helicity dependence in solid C 60 is weak, due to the high symmetry. In contrast to the general belief, HHG is unsuitable for band structure mapping in C 60 . However, we find a window of opportunity using a long wavelength, where harmonics are generated through multiple-photon excitation. In particular, the fifth-order harmonic energies closely follow the transition energy dispersion between the valence and conduction bands. Finally, this finding is expected to motivate future experimental investigations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Winter Storm Elliott: Energy Emergency Alert Lessons Learned

Power blackouts in the United States in 2022 highlighted the need for better communication and planning among power grid stakeholders. This need was further demonstrated at a 2021 workshop held by the Grid Reliability Initiative Utilizing Data Standardization (GRIDS) Project. The GRIDS Project was established to understand and address the gaps in communication between the transmission and distribution operators. With the ongoing energy transition including electrification, distributed energy resource penetration, and so on, this project aims for improved energy emergency communications at the transmission-distribution interface. In 2022, Winter Storm Elliott affected 60% of the United States population (Weather Underground 2022), resulting in rolling blackouts in many areas of the eastern United States (Knoxville Utilities Board [KUB] 2023). Information presented here is based on the GRIDS workshop findings and subsequent research and interviews with stakeholders. After a brief summary of the effects of Winter Storm Elliott, this report covers the standard energy emergency communications processes currently in use, how the storm affected power management operations for the Tennessee Valley Authority (TVA) and its local utility companies, and related experiences in other states. The report concludes with lessons learned and recommendations for improvements and a path forward.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1972

Idealized model for the radial gradient of modulated cosmic rays.

Development of a conceptually idealized model for interpreting existing and future measurements of the radial gradient of modulated cosmic rays in the limit that deceleration and convection effects become comparable. The proposed model assumes that the modulated spectrum consists of two idealized regions: at low energy, below some critical transition energy T sub c, a region where the shape of the spectrum is assumed to be determined wholly by a balance between convection and deceleration effects; and, at higher energies, above T sub c, a region where the magnitude and shape of the spectrum are taken to be those given by the usual convection-diffusion modulation. The application of this model, invoking some straightforward assumptions about the behavior of T sub c, suggests that the radial gradient in the regime where deceleration processes are dominant may be related to the spectral index of the unmodulated spectrum at the energy T sub c and to the absolute level of modulation. This is in contrast to the gradient at high energies, above T sub c, which is related only to local interplanetary characteristics through convection and diffusion.

O'Gallagher, J. J.↗
DOE OSTI2021

Energy Resilience Planning For Remote, Island, And Islanded Communities

This webinar is intended to educate prospective applicants on the Energy Transitions Initiative Partnership Project (ETIPP). It includes a general description of what ETIPP does, who the ETIPP partners are, the types of technical assistance ETIPP might provide communities, and what the technical assistance application process involves.

44 EE - Strategic Programs, Energy Transition Init↗