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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Neutron stars and the dense matter equation of state

The past two decades have witnessed tremendous progress in understanding the properties of neutron stars, their maximum mass and radii, and the properties of the dense matter in their cores, made possible by electromagnetic observations of neutron stars and the detection of gravitational waves from their mergers. These observations have provided novel constraints on neutron-star structure that are intimately related to the properties of dense neutron-rich matter described by the nuclear equation of state. Nevertheless, constraining the equation of state over the wide range of densities probed by astrophysical observations is still challenging, as the physics involved is broad and the system spans many orders of magnitude in density. Here, theoretical approaches to calculate and model the neutron-star equation of state in various regimes of densities are reviewed, and the related consequent properties of neutron stars are discussed. How the equation of state at low densities can be calculated from nuclear interactions that are constrained and benchmarked by nuclear experiments is described. Neutron-star observations, with a particular emphasis on information provided by gravitational-wave signals and electromagnetic observations, are reviewed. Finally, future challenges and opportunities in the field are discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Ground and excited state properties of ThB − and ThB: a theoretical study

In the present work, we studied a series of electronic and spin–orbit states of ThB − and ThB using high-level multireference and coupled-cluster theories. We report the potential energy curves (PECs), equilibrium electron configurations, spectroscopic constants, energetics, and spin–orbit coupling effects of 17 and 19 electronic states of ThB − and ThB, respectively. The ground state of ThB − is a single-reference 1 3 Π with a 1σ 2 2σ 2 3σ 1 1π 3 electron configuration. Detachment of an electron from the doubly occupied 1π orbital of ThB − (1 3 Π) produces the single-reference ground electronic state of ThB (1 4 Σ − ). The ground spin–orbit states of ThB − and of ThB are 1 3 Π + 0 and 1 4 Σ − 3/2 , respectively. The vertical electron detachment energy (VDE) of ThB − and the adiabatic electron attachment energy (AEA) of ThB at our largest CBS-C-CCSD(T)+δT(Q)+δSO (complete basis set effect, spin–orbit effect, and triple and perturbative quadruple electron correlation effect added coupled-cluster theory with single, double, and perturbative triple excitations) level are 1.473 eV and 1.459, respectively. The reaction of Th( 3 F) + B( 2 P o ) produces the ground state of ThB with a bond energy of 2.843 eV. Finally, we estimated a heat of formation, Δ H 0 f (298 K), of 891.01 kJ mol −1 for the ThB molecule. The high-level findings of this work are expected to aid and motivate future experimental spectroscopic investigations of ThB and ThB − species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Examples of State and Utility Actions on Proactive Planning and Investments

As states across the U.S. confront rising electricity demand, clean energy deployment, grid modernization imperatives, and the integration of large new loads, some regulators and utilities are shifting away from reactive, “just-in-time” investment approaches toward more proactive planning and investment frameworks. This report compiles examples of jurisdictional and utility actions that reshape planning processes, cost recovery mechanisms, and performance oversight to anticipate—rather than simply respond to—future grid needs. Several themes emerge from state actions examined in this report. First, legislatures and commissions are increasingly directing utilities to proactively upgrade their distribution and transmission systems, reflecting a shift toward a forward-looking system that aligns planning with state policy goals. Second, states are establishing long-term, iterative planning frameworks that often feature multi-year horizons, biannual or annual compliance reporting, structured opportunities for stakeholder engagement, and emphasis on collaboration among utilities, regulators, and stakeholders. Third, states are actively investigating innovative cost recovery mechanisms designed to support accelerated electrification and grid modernization, while balancing consumer advocates’ concerns regarding the ratepayer financial risks of premature investments. Fourth, performance metrics and reporting requirements are being developed to ensure transparency and accountability for proactive investments. Fifth, methodological improvements in planning—such as aligning load forecasting assumptions, incorporating sensitivities, and considering load management potential across building, vehicles, storage, and demand response—are recurring areas of stakeholder focus across jurisdictions. Overall, these developments signify a growing recognition among state regulators, utilities, and stakeholders that proactive planning—supported by clear definitions, consistent and transparent methodologies, robust performance metrics, and innovative cost recovery mechanisms—is a tool that can be used to address the scale and urgency of contemporary grid needs.

electricity market↗
NASA NTRS2020

Solid-state Architecture Batteries for Enhanced Rechargeability and Safety (SABERS)

All-electric vertical take-off and landing vehicles (eVTOL) for urban air mobility (UAM) concepts face numerous challenging technical barriers before their introduction into the consumer marketplace. The most challenging of these technical barriers to overcome is developing an energy storage system capable of meeting the rigorous aerospace safety and performance criteria. The performance metrics for eVTOL craft, such as specific energy and cycle life, are at least 2 times greater than those of electric automobiles. Furthermore, safety is essential for operation of commercial electric aerovehicles. Preliminary systems level analysis studies have indicated that there are five key properties which must be optimized for successful implementation of battery systems. Those five key criteria are safety, energy density, power, packaging design and scalability. Current state-of-the-art (SOA) lithium-ion batteries meet or exceed the requirements for electric aviation in the areas of power and scalability, yet are insufficient in the key performance criteria of energy, safety and packaging design. The SABERS concept proposes a battery that meets all five key performance criteria through the development of a solid-state architecture cell design utilizing high energy density and power density sulfur-selenium cathode with a lithium metal anode. Data will be presented demonstrating high performing sulfur - selenium cathode that offers a balanced energy to power density ratio, which can be tailored to the specific application by altering the stoichiometric ratios of sulfur to selenium. This cathode is being developed by implementing NASA patented holey graphene technology as a highly conductive, ultra-lightweight electrode scaffold. Novel processing methods allow developing solid-state electrolyte that is a safe, non-flammable replacement to the highly flammable liquid organic electrolytes currently used in SOA lithium-ion batteries. The all solid-state lithium-sulfur-selenium cell design enables the implementation of a bipolar stack configuration, which has the advantages of reducing overall cell weight, reducing the amount of interfaced connections for the cell, and minimizing cooling requirements for the battery. In particular, the solid-state design allows for a serial stacking configuration to enable dense packaging of the cells within the bipolar stack. Lastly, optimization of battery components occurs through a robust and rigorous combination of various computational modeling techniques covering multiple length scales. The expected result will be a solid-state battery with operational temperatures from 0 °C to 150 °C which provides the required energy density, discharge rate, and inherent safety to meet strict aerospace performance criteria.

solid state batteries↗
NASA NTRSDate not supplied

Empirical State Error Covariance Matrix for Batch Estimation

State estimation techniques effectively provide mean state estimates. However, the theoretical state error covariance matrices provided as part of these techniques often suffer from a lack of confidence in their abilities to describe the true uncertainty in the estimated states. By a reinterpretation of the equations involved in the weighted least squares algorithm, it is possible to directly arrive at an empirical state error covariance matrix. This proposed empirical state error covariance matrix will contain the effect of all error sources, known or unknown. Results are presented for a simple, two observer, measurement error only problem.

Estimation↗
DOE OSTI2025

A General and Modular Approach to Solid-State Integration of Zero-Dimensional Quantum Systems

Here, we present an all-electrical readout mechanism for quasi-0D quantum states (0D-QS), such as point defects, adatoms, and molecules, that is modular and general, providing an approach that is amenable to scaling and integration with other solid-state quantum technologies. Our approach relies on the creation of high-quality tunnel junctions via the mechanical exfoliation and stacking of multilayer graphene (MLG) and hexagonal boron nitride (hBN) to encapsulate the target system in an MLG/hBN/0D-QS/hBN/MLG heterostructure. This structure allows for all-electronic spectroscopy and readout of candidate systems through a combination of coulomb and spin-blockade. As a proof of principle, we demonstrate electronic tunneling spectroscopy of point defects in hBN and the molecular qubit vanadyl phthalocyanine. Our approach demonstrates a new pathway for the incorporation of molecules and atomic defects into solid-state quantum devices and circuits along with a readout scheme that does not rely on highly constrained optical processes for photonic readout.

defects in hexagonal boron nitride↗
DOE OSTI2025

Lithography-Defined Semiconductor Moirés with Anomalous In-Gap Quantum Hall States

Quantum materials and phenomena have attracted great interest for their potential applications in next-generation microelectronics and quantum-information technologies. In one especially interesting class of quantum materials, moiré superlattices (MSLs) formed by twisted bilayers of 2D materials, a wide range of novel phenomena are observed. However, there exist daunting challenges such as reproducibility and scalability of utilizing 2D MSLs for microelectronics and quantum technologies due to their exfoliate-tear-stack method. Here, we propose lithography-defined semiconductor MSLs, in which three fundamental parameters electron−electron interaction, spin−orbit coupling, and band topology are designable. We experimentally investigate quantum-transport properties in a moiré specimen made in an InAs quantum well. Strong anomalous in-gap states are observed within the same integer quantum Hall state. Our work opens up new horizons for studying 2D quantum-materials phenomena in semiconductors featuring superior industry-level quality and state-of-the-art technologies, and they may potentially enable new quantum-information and microelectronics technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Tetracene Functionalized Si(111) Achieves Enhanced Solar-to-Chemical Energy Conversion via Molecular Acceptor States

The properties of semiconductor|liquid interfaces play a critical role in determining the efficiency of solar-to-hydrogen (STH) conversion. Here, we investigate how molecular functionalization of Si(111) and Si(111)|TiO 2 surfaces impacts photoelectrochemical (PEC) hydrogen production efficiency. We find that functionalization of ∼3% of the atop sites of Si(111) with either 9-anthracene (Anth) or 5-tetracene (Tet), with the remaining sites passivated by methyl groups, provides substrates with high electronic quality and low surface oxide densities, as determined by X-ray photoelectron spectroscopy (XPS) measurements. Surface photovoltage (SPV) spectroscopy shows that surfaces modified with Anth or Tet exhibit an increased photovoltage, with Tet-functionalized surfaces yielding an additional 192 meV relative to methyl-terminated Si(111), indicating improved charge separation for Si-Tet. Further improvement in onset potential was achieved by replacing a nitrogen-containing TiO 2 atomic layer deposition (ALD) precursor (TDMAT) with a precursor lacking nitrogen (TTIP), which eliminates the parasitic defect band in the TiO 2 overlayer (p-Si(111)-Tet|TTIP-TiO 2 |Pt: V OC = +0.283 ± 0.041 V vs RHE). Density functional theory (DFT) analysis demonstrates that compared with Anth-modified Si(111), the Tet-modified surface exhibits more hybridized Si(111)-Tet states closer to the silicon band edges. Mercury contact current–voltage (I–V, dark) measurements quantified the relative interfacial density of states of Si-Tet, Si-Anth and Si-Me surfaces─revealing that the interfacial state density was highest for Si-Tet. This suggests that such hybridized interfaces serve to capture better photoexcited charge, which enables facile electron transfer to molecular acceptors in solution. Altogether, the data indicate that beneficial hybrid molecular LUMO surface states interacting with the Si conduction band edge results in improved hydrogen evolution (HER) performance for p-Si devices.

Group theory↗
DOE OSTI2025

Gaussian-process generative model for the QCD equation of state

We develop a generative model for the nuclear matter equation of state at zero net baryon density using the Gaussian process regression method. We impose first-principles theoretical constraints from lattice quantum chromodynamics and hadron resonance gas at high- and low-temperature regions, respectively. By allowing the trained Gaussian process regression model to vary freely near the phase transition region, we generate random smooth crossover equations of state with different speeds of sound that do not rely on specific parametrizations. Here, we explore a collection of experimental observable dependencies on the generated equations of state, which paves the groundwork for future Bayesian inference studies to use experimental measurements from relativistic heavy-ion collisions to constrain the nuclear matter equation of state.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Electromagnon Signatures of a Metastable Multiferroic State

Magnetoelectric multiferroic materials, particularly type-II multiferroics where ferroelectric polarizations arise from magnetic order, offer significant potential for the simultaneous control of magnetic and electric properties. However, it remains an open question as to how the multiferroic ground states are stabilized on the free-energy landscape in the presence of intricate competition between the magnetoelectric coupling and thermal fluctuations. Here, in this work, by using terahertz time-domain spectroscopy in combination with an applied magnetic field, photoexcitation, and single-shot detection, we reveal the spectroscopic signatures of a magnetic-field-induced metastable multiferroic state in a hexaferrite. This state remains robust until thermal influences cause the sample to revert to the original paraelectric state. Our findings shed light on the emergence of metastable multiferroicity and its interplay with thermal dynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

The Two Arctic Wintertime Boundary Layer States: Disentangling the Role of Cloud and Wind Regimes in Reanalysis and Observations During MOSAiC

The wintertime central Arctic atmosphere comprises a radiatively clear and a radiatively opaque state, which are linked to synoptic forcing and mixed-phase clouds. Weather and climate models often lack process representations surrounding these states, but prior work mostly treated the problem as an aggregate of synoptic conditions, resulting in partially overlapping biases. Here, we disaggregate the Arctic states and confront ERA5 reanalysis with observations from the MOSAiC campaign over the central Arctic sea ice during winter 2019/2020. Low-level winds and liquid water path (LWP) are combined to derive different synoptic classes. Results show that the clear state is primarily formed by weak/moderate winds and the absence of liquid-bearing clouds, while strong winds and enhanced LWP primarily form the radiatively opaque state. ERA5 struggles to reproduce these basic statistics, shows too weak sensitivity of thermal radiation to synoptic forcing, and overestimates thermal radiation for similar LWP amounts. The latter is caused by a warm bias, which has a pronounced inversion structure and is largest in clear and calm conditions. Under strong synoptic forcing, the warm bias is constant with height and discrepancies in mixed-phase cloud altitude appear. Separating synoptic conditions is regarded as useful for process-oriented evaluation of the Arctic troposphere in models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Signature of 0 + excited state and shape coexistence in 94 Kr through 93 Kr(d,p) 94 Kr reaction

A measurement of the excitation spectrum of 94 Kr via one-neutron transfer to the ground state of 93 Kr using the 93 Kr(d,p) 94 Kr reaction at 8A MeV, observing the outgoing protons, performed with the IRIS facility at TRIUMF is reported. Two states in 94 Kr, at 1.50±0.14 MeV and 2.20±0.14 MeV, were observed. An adiabatic-wave approximation analysis of the differential cross sections leads us to identify the lower energy state as being populated with neutron transfer to the 3 s1/2 orbital. This leads to the first observation of the lowest 0 + excited state in 94 Kr, hence signaling shape co-existence. Theoretical calculations performed within the in-medium similarity renormalization group framework are presented that also show the existence of a low-energy 0 + state, aligning qualitatively with the observation.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Excited-State Densities from Time-Dependent Density Functional Response Theory

While the variational principle for excited-state energies leads to a route to obtaining excited-state densities from time-dependent density functional theory, relatively little attention has been paid to the quality of the resulting densities in real space obtained with different exchange-correlation functional approximations or how nonadiabatic approximations developed for energies of states of double-excitation character perform for their densities. Here we derive an expression directly in real space for the excited-state density, which includes the case of nonadiabatic kernels and consequently is able, for the first time, to yield densities of states of double-excitation character. Under some well-defined simplifications, we compare the performance of the local-density approximation and exact-exchange approximation, which are in a sense at the opposite extremes of the fundamental functional approximations, on local and charge-transfer excitations in one-dimensional model systems and show that the dressed Time-Dependent Density Functional Theory (TDDFT) approach gives good densities of double excitations.

approximation↗
DOE OSTI2026

Bound states of Ω baryons in light nuclei

Here, we investigate bound states of light Ω 3⁢𝑥 clusters (𝑥=𝑠,𝑐), motivated by the Ω 3⁢𝑠 ⁢𝑁 potential recently developed by the HAL QCD collaboration. To regularize this potential, we remove the deeply attractive core at 𝑟 < 0.4 fm and parametrize the long-range component (𝑟 > 0.4 fm) using a two-range Gaussian form. This procedure preserves the relevant two-body bound-state energy while having a negligible effect on the Ω 3⁢𝑠⁢ 𝑁⁢𝑁 and Ω 3⁢𝑠⁢ Ω 3⁢𝑠 ⁢𝑁 systems. An effective Ω 3⁢𝑠 ⁢𝛼 potential is then constructed by fitting a two-range Gaussian function to the long-range component of the folding potential, enabling calculations of the bound-state energies of the Ω 3⁢𝑠⁢ 𝛼, Ω 3⁢𝑠⁢ 𝛼⁢𝛼, and Ω 3⁢𝑠 ⁢Ω 3⁢𝑠 ⁢𝛼 systems. The regularization procedure leads to a substantial reduction in bound-state energies compared to those obtained with the original potential. We further extend the analysis to Ω 3⁢𝑐 -cluster systems by introducing an Ω 3⁢𝑐 ⁢𝑁 interaction, derived by comparing the existing Ω 3⁢𝑠⁢ Ω 3⁢𝑠 and Ω 3⁢𝑐 ⁢Ω 3⁢𝑐 potentials. Our results suggest that several parametrizations predict bound states in Ω 3⁢𝑐 -containing clusters. Finally, the Ω 3⁢𝑠 ⁢Ω 3⁢𝑠 interaction is described using a contactlike potential approach, motivated by the effective field theory.

binding energy & masses↗
DOE OSTI2025

Multipartite entanglement structure of fibered link states

We study the patterns of multipartite entanglement in Chern-Simons theory with compact simple gauge group 𝐺 and level 𝑘 for states defined by the path integral on “link complements,” i.e., compact manifolds whose boundaries consist of 𝑛 topologically linked tori. We focus on link complements which can be described topologically as fibrations over a Seifert surface. We show that the entanglement structure of such fibered link complement states is controlled by a topological invariant, the monodromy of the fibration. Thus, the entanglement structure of a Chern-Simons link state is not simply a function of the link, but also of the background manifold in which the link is embedded. In particular, we show that any link possesses an embedding into some background that leads to Greenberger–Horne–Zeilinger state (GHZ)-like entanglement. Furthermore, we demonstrate that all fibered links with periodic monodromy have GHZ-like entanglement, i.e., a partial trace on any link component produces a separable state. These results generalize to any three dimensional topological field theory with a dual chiral rational conformal field theory.

conformal field theory↗
DOE OSTI2025

Once-in-a-lifetime encounter models for neutrino media. II. Quasisteady states and miscidynamic flavor evolution

We extended the once-in-a-lifetime encounter (OILE) model to stochastic interactions among neutrinos. As in the original OILE model, the new model reproduces the mean-field behavior of a dense neutrino gas for time 𝑡 ≲ (𝜇⁢𝛾) −1 , where 𝜇 measures the strength of the mean-field neutrino self-interaction potential and is proportional to the neutrino density, and the dimensionless “impact parameter” 𝛾 is a measure of the change in the flavor quantum state of a neutrino during interaction with another neutrino when the wave packets of the two neutrinos overlap. As in the mean-field case, the OILE model with random neutrino velocities experiences kinetic flavor decoherence as the flavor quantum states of the neutrinos diverge from each other. Unlike the mean-field case, however, the OILE model has a “collision term” due to the quantum entanglement among neutrinos. For 𝛾 ≪ 1, this incoherent effect can drive the neutrinos into a quasisteady state that is similar to the collective precession mode in a homogeneous and isotropic neutrino gas in the mean-field approximation. Subsequently, the collision term drives the neutrino gas adiabatically through different quasisteady states and eventually to flavor equilibration. This process is an example of miscidynamic flavor evolution, with the mixing equilibria being the quasisteady precession states.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Experimental Definition of the S = 1 π vs S = 2 σ Reactivity and S = 2 Character in the Ground State of an S = 1 Fe IV O Complex

Iron(IV)-oxo intermediates found in iron enzymes and artificial catalysts are competent for H atom abstraction in catalytic cycles. For S = 2 intermediates, both axial and equatorial approaches are well-established. The mechanism for S = 1 sites is not as well understood: an equatorial approach is more energetically favorable, and an axial approach requires crossing from the S = 1 to the S = 2 surface. Here, in this study, we use 1s2p resonant inelastic X-ray scattering (RIXS) and Fe L-edge X-ray absorption spectroscopy on the S = 1 [Fe IV O(TMC)(CH3CN)] 2+ and observe both S = 2 and S = 1 final states, which enables the experimental evaluation of the energetics of the axial and equatorial reactivity of an S = 1 Fe IV O center on its S = 2 vs S = 1 surface. The observation of S = 2 final states in the RIXS spectrum demonstrates significant S = 2 character spin–orbit mixed into the S = 1 ground state.

energy↗
DOE OSTI2025

Sharp spectroscopic fingerprints of disorder in an incompressible magnetic state

Disorder significantly impacts the electronic properties of conducting quantum materials by inducing electron localization and thus altering the local density of states and electric transport. In insulating quantum magnetic materials, the effects of disorder are less understood and can drastically impact fluctuating spin states like quantum spin liquids. In the absence of transport tools, disorder is typically characterized using chemical methods or by semi-classical modeling of spin dynamics. This requires high magnetic fields that may not always be accessible. Here, we show that magnetization plateaus—incompressible states found in many quantum magnets—provide an exquisite platform to uncover small amounts of disorder, regardless of the origin of the plateau. Using optical magneto-spectroscopy on the Ising-Heisenberg triangular-lattice antiferromagnet K 2 Co(SeO 3 ) 2 exhibiting a 1/3 magnetization plateau, we identify sharp spectroscopic lines, the fine structure of which serves as a hallmark signature of disorder. Through analytical and numerical modeling, we show that these fingerprints not only enable us to quantify minute amounts of disorder but also reveal its nature—as dilute vacancies. Remarkably, this model explains all details of the thermomagnetic response of our system, including the existence of multiple plateaus. Our findings provide a new approach to identifying disorder in quantum magnets.

Infrared spectroscopy↗