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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Emergent interaction-induced topology in Bose-Hubbard ladders

We investigate the quantum many-body dynamics of bosonic atoms hopping in a two-leg ladder with strong on-site contact interactions. We observe that when the atoms are prepared in a staggered pattern with pairs of atoms on every other rung, singlon defects, i.e., rungs with only one atom, can localize due to an emergent topological model, even though the underlying model in the absence of interactions admits only topologically trivial states. This emergent topological localization results from the formation of a zero-energy edge mode in an effective lattice formed by two adjacent chains with alternating strong and weak hoping links (Su-Schrieffer-Heeger chains) and opposite staggering which interface at the defect position. Our findings open the opportunity to dynamically generate nontrivial topological behaviors without the need for complex Hamiltonian engineering. Published by the American Physical Society 2025

Wellnitz, David (ORCID:0000000349788938)↗
NASA NTRS1977

Chemiluminescent reactions of sulfur /3P2/ atoms in cryogenic matrices - S + O2 yields SO2 /a3 B1/

Results are reported for thermoluminescence studies of reactions of sulfur atoms in cryogenically deposited solid argon through in situ photolysis of OCS. Analysis of the thermoluminescence spectrum that resulted from photolysis and heating of matrices in which O2 was codeposited with an OCS/Ar mixture shows that the emitter contained oxygen derived from the added O2 and that little SO2 accumulated during photolysis. The observed absence of thermoluminescence or fluorescence in either of the allowed transitions of excited SO2 is taken as definitive evidence that ground-state sulfur atoms can insert into the oxygen molecule with effectively zero activation energy.

Long, S. R.↗
NASA NTRS1978

On the ground state of metallic hydrogen

A proposed liquid ground state of metallic hydrogen at zero temperature is explored and a variational upper bound to the ground state energy is calculated. The possibility that the metallic hydrogen is a liquid around the metastable point (rs = 1.64) cannot be ruled out. This conclusion crucially hinges on the contribution to the energy arising from the third order in the electron-proton interaction which is shown here to be more significant in the liquid phase than in crystals.

Chakravarty, S.↗
DOE OSTI2023

Different flavors of exact-factorization-based mixed quantum-classical methods for multistate dynamics

Here, the exact factorization approach has led to the development of new mixed quantum-classical methods for simulating coupled electron–ion dynamics. We compare their performance for dynamics when more than two electronic states are occupied at a given time, and analyze: (1) the use of coupled versus auxiliary trajectories in evaluating the electron–nuclear correlation terms, (2) the approximation of using these terms within surface-hopping and Ehrenfest frameworks, and (3) the relevance of the exact conditions of zero population transfer away from nonadiabatic coupling regions and total energy conservation. Dynamics through the three-state conical intersection in the uracil radical cation as well as polaritonic models in one dimension are studied.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Global Energy Policy to Achieve the United States’ Nationally Determined Contributions: Potential Pathway

In 2021, the United States declared its Nationally Determined Contribution (NDC) in preparation for the COP26 climate summit, setting goals to achieve zero emission electricity by 2035, and reducing net emissions by 50–52% compared to 2005 levels. The current U.S. energy policies were found to not be adequate to meet these goals, thus it is necessary to draft a pathway to achieving these goals through policy changes. This study focused on foreign energy policies to analyze the most effective policies in a host of sectors. By identifying the most ambitious and effective policies from around the world in each sector, this study was able to suggest a policy pathway that can potentially achieve both of goals set in the NDC. In guiding the development of the proposed policy pathway, this study analyzed policies from Australia, Canada, California, China, Denmark, France, Germany, Japan, Russia, South Korea, Sweden, the United Kingdom, and the United States. This study found that the most drastic CO2 reductions came from low-carbon electricity policy, but contributions were also made from carbon capture, reforestation, hydrogen, energy efficiency, and climate smart agriculture.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Hydrogen Storage for Flexible Fossil Fuel Power Generation: Integration of Underground Hydrogen Storage with Gas Turbine (Final Report)

As the nation continues to encourage, through market structures and financial incentives, the proliferation of intermittent renewable electricity, how to optimize the ever-changing electric grid and identify means to retain and improve resilience, while ensuring continued reductions in GHG emissions, will be critical. According to Bloomberg, wind & solar generated 10.5% of US electricity in 2020 and that percentage continues to grow. In support of expanding renewable energy use, and to address its intermittent nature, this project will develop the Hydrogen Storage for Flexible Fossil Fuel Power Generation platform that is dispatchable, reliable, repeatable and have the ability to produce zero or negative carbon power while interfacing with geology capable of CO2 and hydrogen storage. GTI Energy (GTIE) and team members Illinois State Geological Survey (ISGS), Mitsubishi Heavy Industries America (MHIA), Ameren Illinois, Hexagon Purus, and the Low Carbon Resources Initiative (LCRI) completed a Phase I Conceptual Study under contract DE-FE0032012 for Hydrogen Storage for Flexible Fossil Fuel Power Generation: Integration of Underground Hydrogen Storage with Gas Turbine. The Hydrogen Storage for Flexible Fossil Fuel Power Generation platform addresses the intermittent nature of the expanding use of Variable Renewable Energy (VRE) generation. The low cost of the electricity (COE) generated results in greater dispatch and more operation at higher power levels (higher efficiency), fewer short intervals, and fewer start/stop cycles. The reliable, resilient system can produce zero carbon power and store hydrogen. It will demonstrate hydrogen storage in geologic formations like those used in natural gas underground storage thus enabling large scale storage of hydrogen in sedimentary strata across the United States rather than in geographically restricted salt caverns. The Phase I study confirmed the system is feasible and generates power at lower cost than other low carbon approaches. The demonstration defines the pathway for broad commercial application and will accelerate the development of larger systems suitable for centralized utility scale electricity production. The study advanced the maturity of the H 2 storage-based system with flexible power generation by completing a Pre-FEED study (Phase II). The Pre-FEED focused on the selected Energy Farm on the University of Illinois Urbana-Champaign (UIUC) site that includes above ground and underground hydrogen storage, low-carbon hydrogen production (GTI’s Compact Hydrogen Generator, CHG) with underground CO2 sequestration, and a 40-MW class gas turbine. The Pre-FEED addressed the entire system and its interconnection to the natural gas and electric grid and mitigation of key risks, such as storage behavior, load-following, and system operation. During Phase 1 of the project, the team completed key tasks, which moved the entire demonstration project, specific components and approaches closer to commercialization. These Phase I Accomplishments include: Completing System Requirements Review; Completing System Layout and Modeling - Heat & Mass Balance and Process Flow Diagram; Completing modelling of 9 turbine performance cases; Evaluating rock strata for underground storage of hydrogen and sequestration of carbon dioxide; Completing initial modelling of underground storage of hydrogen and withdrawal with evaluation of loss and water production; Identifying roadable storage for above ground hydrogen storage; Identifying existing electrical infrastructure for receiving/delivering electricity; Identifying existing gas supply infrastructure for receiving natural gas; Document concept design/development plans in required reports. Conclusions: The 12-month Feasibility study in Phase I study was completed and confirmed the system is feasible and generates power at lower cost than other low carbon approaches and even lower cost than the reference NGCC plant without carbon capture when taking advantage of 45Q carbon credits. The study enabled the fidelity of the concept to be improved and allowed identification of the requirements for the system. Defining the individual system and component requirements was performed via the system requirements review with the whole team. These requirements were then incorporated into and iterated with our Heat & Mass Balance process model and process flow diagrams were generated to reflect the overall system. This information was then used to complete the TEA and show economic feasibility. Large scale non-salt geologic storage of hydrogen is an enabling technology for a hydrogen-fired turbine that can be retrofitted into large-scale electric generating units (EGU). Our demonstration will include 428 MWh or ~4 hours full load of hydrogen storage (above and underground). Carbon capture inherent to the CHG process can capture 90% CO 2 (with upgrades to >98%). This system provides a COE of 23% savings relative to an NGCC with a post combustion amine system. Our proposed storage system decouples carbon capture and hydrogen production from power production; therefore, we expect our proposed system’s efficiency and variable COE to be superior resulting in overall higher dispatch and reduced deep cycling. Our demonstration will be full to multi-day hydrogen storage and has the potential for longer (seasonal) duration commercially. The demonstration defines the pathway for broad commercial application and will accelerate the development of larger systems suitable for centralized utility scale electricity production.

03 NATURAL GAS↗
DOE OSTI2021

Demonstration of resonant tunneling effects in metal-double-insulator-metal (MI2M) diodes

Abstract Although the effect of resonant tunneling in metal-double-insulator-metal (MI 2 M) diodes has been predicted for over two decades, no experimental demonstrations have been reported at the low voltages needed for energy harvesting rectenna applications. Using quantum-well engineering, we demonstrate the effects of resonant tunneling in a Ni/NiO/Al 2 O 3 /Cr/Au MI 2 M structures and achieve the usually mutually exclusive desired characteristics of low resistance ( $${R}_{0}^{DC} \sim$$ R 0 D C ~ 13 kΩ for 0.035 μm 2 ) and high responsivity ( β 0 = 0.5 A W −1 ) simultaneously. By varying the thickness of insulators to modify the depth and width of the MI 2 M quantum well, we show that resonant quasi-bound states can be reached at near zero-bias, where diodes self-bias when driven by antennas illuminated at 30 THz. We present an improvement in energy conversion efficiency by more than a factor of 100 over the current state-of-the-art, offering the possibility of engineering efficient energy harvesting rectennas.

42 ENGINEERING↗
DOE OSTI2024

Potential Availability of Alternative Fuel to Supply Maritime Activities in Pacific Northwest Ports

The international shipping sector represented 3% of global greenhouse gas emissions in 2023 (Office of Energy Efficiency & Renewable Energy 2024). International shipping has been classified as a difficult-to-decarbonize industry (IRENA 2024). In an effort to drive decarbonization, the U.S. Department of Energy has partnered with Mission Innovation to co-lead the Zero-Emission Shipping Mission, which launched in 2021(Office of Energy Efficiency & Renewable Energy 2021). In addition, the U.S. Department of State partnered with Norway to launch the Green Shipping Challenge in 2022 (Office of the Spokesperson 2022b). As part of the ZESM and Green Shipping Challenge, the United States is collaborating with the Republic of Korea (ROK) to develop a green shipping corridor (U.S. Mission Korea 2023). The United States and ROK have conducted a pre-feasibility study as the first step in developing a green shipping corridor between the countries. The ports included in the study are Seattle, Tacoma, and Everette in the U.S. Pacific Northwest (PNW) and Busan, Ulsan, and Masan in ROK. The National Renewable Energy Laboratory's role in the study was to analyze the availability and technical potential of alternative marine fuels in proximity to U.S. PNW ports. The findings show most of the existing alternative fuel capacity within the region is from renewable diesel, biodiesel, and sustainable aviation fuel facilities. The largest growth in fuel capacity in the region by 2030 is projected to be in renewable diesel and hydrogen. The overall technical readiness of non-drop-in alternative fuel production and conversion technologies is more developed than alternative-fueled ships and associated fueling infrastructure. However, much of the fuel capacity in the region is comprised of drop-in fuels, making it technically possible to use existing infrastructure for transporting and bunkering to the existing fleet. Data to inform regional alternative fuel quantity estimations were collected from an extensive review of databases, reports, announcements, and other publicly available resources. A maturity index and sector competition factor were applied to announced fuel projects to determine the quantity of alternative fuel available to the marine sector in the region by 2030. Demand data were collected from fuel bunkering logs covering the PNW seaports (State of Washington 2021). Both supply and demand data were converted to very-low sulfur fuel oil gallon equivalents (VLSFO-GE) for better comparison. Qualitative data were gathered through interviews with stakeholders, project developers, and industry experts. Total alternative fuel capacity available to the marine sector in the region is estimated to be 824 million VLSFO-GE per year by 2030. This is sufficient to cover the requirements of a green shipping corridor between the United States and ROK. The findings from this report are being used to inform detailed feasibility studies for several U.S. PNW -ROK green shipping corridors. Updates from the U.S. PNW - ROK feasibility studies will continue to be published on Mission Innovation's green corridor tracking website (Zero Emission Shipping Mission, n.d.). In addition, this report has helped to inform further work on shipping decarbonization in the U.S. PNW, including the Pacific Northwest to Alaska Green Corridor focused on cruise vessels.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1993

The nature and role of quantized transition states in the accurate quantum dynamics of the reaction O + H2 yields OH + H

Accurate quantum mechanical dynamics calculations are reported for the reaction probabilities of O(3P) + H2 yields OH + H with zero total angular momentum on a single potential energy surface. The results show that the reactive flux is gated by quantized transition states up to the highest energy studied, which corresponds to a total energy of 1.90 eV. The quantized transition states are assigned and compared to vibrationally adiabatic barrier maxima; their widths and transmission coefficients are determined; and they are classified as variational, supernumerary of the first kind, and supernumerary of the second kind. Their effects on state-selected and state-to-state reactivity are discussed in detail.

Chatfield, David C.↗
DOE OSTI2020

The well-tempered cosmological constant: fugue in B$^\flat$

Zero point fluctuations of quantum fields should generate a large cosmological constant energy density in any spacetime. How then can we have anything other than de Sitter space without fine tuning? Well tempering—dynamical cancellation of the cosmological constant using degeneracy within the field equations— can replace a large cosmological constant with a much lower energy state. Here we give an explicit mechanism to obtain a Minkowski solution, replacing the cosmological constant with zero, and testing its attractor nature and persistence through a vacuum phase transition. We derive the general conditions that Horndeski scalar-tensor gravity must possess, and evolve in a fugue of functions, to deliver nothing and make the universe be flat.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Magnetism Studies of Bis(acyl)phosphide-Supported Eu 3+ and Eu 2+ Complexes

A series of bis(acyl)phosphide-supported Eu complexes were synthesized (bis(acyl)phosphide = BAP). Here, in this study, BAP ligands proved to be excellent ligands for the synthesis of both Eu 3+ and Eu 2+ molecular complexes. Sodium bis(mesitoyl)phosphide (Na( mes BAP)) and sodium bis(2,4,6-triisopropylbenzoyl)phosphide (Na( tripp BAP)) were employed as ligand precursors for the synthesis of the Eu 3+ complexes Eu(bis(mesitoyl)phosphide) 3 (thf) 2 (Eu( mes BAP) 3 (thf) 2 ) and Eu(bis(2,4,6-triisopropylbenzoyl)phosphide) 3 (Eu( tripp BAP) 3 ), as well as the Eu 2+ complex, Eu(bis(2,4,6-triisopropylbenzoyl)phosphide) 2 (dme) 2 (Eu( tripp BAP) 2 (dme) 2 ) (thf = tetrahydrofuran, dme = 1,2-dimethoxyethane). All complexes were characterized using a combination of UV–vis–NIR–IR and NMR spectroscopies, and single-crystal X-ray diffraction (SC-XRD). The magnetic properties of these three monomeric Eu complexes were investigated by variable-temperature magnetic susceptibility. The magnetic data are typical for these ions, with Eu( tripp BAP) 2 (dme) 2 displaying Curie-type behavior. Both Eu( tripp BAP) 3 and Eu( mes BAP) 3 (thf) 2 possess similar 7 F 0 - 7 F 1 spin–orbit energy gaps and a similar zero-field splitting of the 7 F 1 state.

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

Bogoliubov Fermi surfaces in spin-$\frac{1}{2}$ systems: Model Hamiltonians and experimental consequences

Bogoliubov Fermi surfaces (BFSs) are topologically protected regions of zero energy excitations in a superconductor whose dimension equals that of the underlying normal state Fermi surface. Examples of Hamiltonians exhibiting this “ultranodal” phase are known to preserve charge-conjugation ($\textit{C}$) and parity ($\textit{P}$) but break time-reversal ($\textit{T}$). In this work, we provide examples of model Hamiltonians that do not necessarily preserve this symmetry pattern but have well-defined sign-changing Pfaffians yielding BFSs. While their topological character has not been recognized previously, some of the models we present have been extensively studied in prior literature. Here, we further examine thermodynamic and electronic properties arising from the ultranodal state. In particular, we study the effect of a weak Zeeman field close to the topological transition and propose distinguishing features of BFSs using residual specific heat and tunneling conductance. Our calculation of the superfluid density in a toy multiband model indicates a window of interband pairing strength where BFSs are stable with a positive superfluid density. We also present additional signatures of BFSs in spin-polarized spectral weight and total magnetization measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Ab initio calculations of third-order elastic coefficients

Third-order elasticity (TOE) theory predicts strain-induced changes in second-order elastic coefficients (SOECs) and can model elastic wave propagation in stressed media. Although third-order elastic tensors have been determined based on first principles in previous studies, their current definition is based on an expansion of thermodynamic energy in terms of the Lagrangian strain near the natural, or zero pressure, reference state. This definition is inconvenient for predictions of SOECs under significant initial stresses. Therefore, when TOE theory is necessary to study the strain dependence of elasticity, the seismological community has resorted to an empirical version of the theory. This study reviews the thermodynamic definition of the third-order elastic tensor and proposes using an “effective” third-order elastic tensor. An explicit expression for the effective third-order elastic tensor is given and verified. Additionally, we extend the ab initio approach to calculate third-order elastic tensors under finite pressure and apply it to two cubic systems, namely, NaCl and MgO. As applications and validations, we evaluate (a) strain-induced changes in SOECs and (b) pressure derivatives of SOECs based on ab initio calculations. Good agreement between third-order elasticity-based predictions and numerically calculated values confirms the validity of our theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Greenhouse gas emissions reduction strategies that maximize portfolio-wide life cycle cost reduction, resilience, and environmental justice benefits

While strategies to achieve net-zero emissions at an individual site are well understood, new analysis methods are required for organizations seeking to achieve net-zero across multiple facilities, each with concurrent priority goals. At a portfolio level, distinct locations present varied challenges that cannot be addressed through singular solutions, and competing goals can take precedence with the assumption that net-zero emissions strategies deter from energy resilience and cost savings, therefore negatively impacting nearby communities. This study tests these assumptions by analyzing 16 diverse sites (varying in size, climate, and energy use) to identify strategies that reduce emissions and assess the impact these strategies have on life cycle costs, resilience, and communities with environmental justice concerns. Methods were developed to approximate missing information essential to net-zero evaluation. Established methods were augmented to evaluate life cycle costs, resilience, and environmental justice impacts across a set of strategies and accommodate the multi-criteria analyses. Potential benefits from identified strategies were quantified using site characteristics and a set of corresponding metrics. The net-zero analysis found that 11 sites could use on-site strategies to eliminate all but 2% of emissions generated. The remaining emissions can be offset, for instance through sequestration, executed at the portfolio scale. On-site carbon-free energy was found to reduce 51% of emissions across all sites; efficiency reduced 19% of emissions; sequestration 16%; procured carbon-free energy 15%; fuel switching 1.6%; and fleet electrification 1.3%. Building electrification, however, increased emissions by 4.4%. Different strategies also provide cost, resilience, and/or environmental justice benefits—the degree to which varies with individual site conditions. The findings indicate an advantage to considering the strategies as a comprehensive set, which leads to co-benefits, both in the ability to achieve net-zero goals and in advancing other goals. The results present the case for comprehensive advanced planning at the portfolio level to prioritize investments that will balance the minimization of emissions and life cycle cost with the maximization of resilience and environmental justice benefits. The novel methods for evaluation and integration, valuation of benefits, and consideration at the portfolio scale allow organizations to select investments that simultaneously address multiple key priorities.

Net-Zero Emissions↗
DOE OSTI2024

Dynamics of vacancy-induced modes in the non-Abelian Kitaev spin liquid

Here, we study the dynamical response of vacancy-induced quasiparticle excitations in the site-diluted Kitaev spin liquid with a magnetic field. Due to the flux-binding effect and the emergence of dangling Majorana fermions around each spin vacancy, the low-energy physics is governed by a set of vacancy-induced quasi-zero-energy modes. These localized modes result in unique characteristics of the dynamical spin correlation functions, which intriguingly mimic the single-quasiparticle density of states and further exhibit a quasi-zero-frequency peak. By recognizing the potential observability of these local correlation functions via scanning tunneling microscopy (STM), we show how the STM response is sensitive to the local flux configuration, the magnetic field strength, and the vacancy concentration. Constructing a simple model of the localized modes, we also elucidate how the local correlation functions can be interpreted in terms of the hybridization between these modes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Recognizing Institutions that Prepare Students for 21st Century Building Careers

Buildings play a significant role in reaching the White House's goal of a net-zero emissions economy by 2050, so it is critical that building professionals are prepared to design and construct high-efficiency, low-carbon buildings powered by renewables. The U.S. Department of Energy's Zero Energy Design Designation recognizes post-secondary academic programs that prepare students for 21st century building careers. ZEDD is a three-year designation, and as of 2023 almost 40 programs of study from more than 25 institutions have been recognized and supported by DOE for their great work. The University of Cincinnati received the ZEDD designation for the Net Zero Energy Design Track in Architectural Engineering Program. Tracks, majors, minors, and certificates are all eligible for ZEDD. In recent interviews with faculty from the University of Cincinnati and Appalachian State University about their experiences with ZEDD, many common topics came up. Both faculty members mentioned their students who graduate with ZEDD on their resume are often the only people in their future design firms who understand and can create net zero energy designs.

buildings↗
DOE OSTI2022

Achieving American Leadership in the Nuclear Energy Supply Chain Factsheet

The United States 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. Nuclear energy is essential to meeting those goals. That includes the existing fleet and advanced reactors that are moving forward for deployment and under development. Nuclear power plants produce 20 percent of the total electricity supply in the United States today and are the largest source of carbon-free energy. However, we have an opportunity to expand significantly nuclear energy’s percentage of electricity generated in the United States. The U.S. Department of Energy (DOE) Office of Nuclear Energy (NE) report - developed in response to President Biden’s Executive Order “America’s Supply Chains” signed in 2021 - describes the nuclear supply chain and investigates challenges for continued operation of today’s 93 reactors and construction of advanced reactors. The supply chain is critical for successfully enabling the continued operation of the existing domestic fleet of light-water reactors as well as supporting deployment of advanced nuclear technologies.

Source record↗
DOE OSTI2024

Commercial Zero Code Plug-In: Zero Energy and Operational Emissions Overlay for Model Energy Codes (Technical Brief)

Model energy codes (MEC) describe requirements needed to demonstrate building energy performance compliance. They can be readily adopted by states and local jurisdictions to support desirable energy efficiency investment in new buildings and major renovations. This report provides commercial building energy code language as an overlay to current MEC, which is recognized by the U.S. DOE as ASHRAE Standard 90.1 2022. The code language provides a performance-based compliance path for achieving net zero energy or net zero operational energy emissions buildings with MEC. The path requires meeting two compliance metric target values: 1) a required minimum level of efficiency and 2) a measure of zero energy or emissions. The supporting documentation illustrates the magnitude of needed efficiency improvement and the additional offsets to be achieved from renewable energy sources.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗