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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

The DESI One-Percent Survey: Modelling the clustering and halo occupation of all four DESI tracers with U CHUU

We present results from a set of mock lightcones for the DESI One-Percent Survey, created from the UCHUU simulation. This 8 h −3 Gpc 3 N-body simulation comprises 2.1 trillion particles and provides high-resolution dark matter (sub)haloes in the framework of the Planck-based ΛCDM cosmology. Employing the subhalo abundance matching (SHAM) technique, we populated the UCHUU (sub)haloes with all four DESI tracers – Bright Galaxy Survey (BGS), luminous red galaxies (LRGs), emission line galaxies (ELGs), and quasars (QSOs) – to z = 2.1. Our method accounts for redshift evolution as well as the clustering dependence on luminosity and stellar mass. The two-point clustering statistics of the DESI One-Percent Survey generally agree with predictions from UCHUU across scales ranging from 0.3 h −1 Mpc to 100 h −1 Mpc for the BGS and across scales ranging from 5 h −1 Mpc to 100 h −1 Mpc for the other tracers. We observed some differences in clustering statistics that can be attributed to incompleteness of the massive end of the stellar mass function of LRGs, our use of a simplified galaxy-halo connection model for ELGs and QSOs, and cosmic variance. We find that at the high precision of UCHUU, the shape of the halo occupation distribution (HOD) of the BGS and LRG samples is smaller bias values, likely due to cosmic variance. The bias dependence on absolute magnitude, stellar mass, and redshift aligns with that of previous surveys. These results provide DESI with tools to generate high-fidelity lightcones for the remainder of the survey and enhance our understanding of the galaxy-halo connection.

cosmology↗
DOE OSTI2025

Stability analysis of the Eulerian–Lagrangian finite volume methods for nonlinear hyperbolic equations in one space dimension

In this paper, we construct a novel Eulerian–Lagrangian finite volume (ELFV) method for nonlinear scalar hyperbolic equations in one space dimension. It is well known that the exact solutions to such problems may contain shocks though the initial conditions are smooth, and direct numerical methods may suffer from restricted time step sizes. To relieve the restriction, we propose an ELFV method, where the space-time domain was separated by the partition lines originated from the cell interfaces whose slopes are obtained following the Rakine–Hugoniot junmp condition. Unfortunately, to avoid the intersection of the partition lines, the time step sizes are still limited. To fix this gap, we detect effective troubled cells (ETCs) and carefully design the influence region of each ETC, within which the partitioned space-time regions are merged together to form a new one. Then with the new partition of the space-time domain, we theoretically prove that the proposed first-order scheme with Euler forward time discretization is total-variation-diminishing and maximum-principle-preserving with at least twice larger time step constraints than the classical first order Eulerian method for Burgers’ equation. Numerical experiments verify the optimality of the designed time step sizes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Design and Implementation of Surface Eroding Thermocouples for Stage-One Modular Divertor Integration at the DIII-D Tokamak

The DIII-D has upgraded its upper divertor to a modular system using copper alloy pedestals to alter the divertor geometry without changing the vessel structure. Six new graphite tiles were designed for the shape and volume rise (SVR) divertor. Here, these new SVR tiles facilitated the formation of a poloidal array of 27 surface eroding thermocouples (SETCs) in the upper divertor region. At one location, a specialized recessed SETC, paired with a standard flush SETC, was installed in one of the ceiling tiles to provide comprehensive heat flux measurements, distinguishing between charged and noncharged particle contributions. Upgrades were made to the SETC system in the small-angle slot (SAS) divertor to improve overall performance. These upgrades included optimizing the feedthrough system to double the thermocouple cable capacity and reallocating cables from the SAS area to the SVR divertor. A compact isolation amplifier system with a fixed gain of 41 was employed to improve the signal level and minimize interference. Additionally, two analog-to-analog fiber systems were implemented for transmitting thermocouple signals over a single fiber, significantly reducing both noise levels and costs. The newly installed SETCs in the SVR divertor successfully completed initial commissioning testing. The SETCs captured the in-out asymmetry in the power distribution between the inner and outer strike points and demonstrated the dependency of the heat flux profile on the outer strike point location. During divertor detachment, heat flux mitigation was noted at the outer strike point location, while significant heat flux contributions from neutral particles were measured in the SVR divertor.

Divertor↗
DOE OSTI2025

Exact spectral gaps of random one-dimensional quantum circuits

The spectral gap of local random quantum circuits is a fundamental property that determines how close the moments of the circuit's unitaries match those of a Haar random distribution. When studying spectral gaps, it is common to bound these quantities using tools from statistical mechanics or via quantum information-based inequalities. Here, by focusing on the second moment of one-dimensional unitary circuits where nearest-neighboring gates act on sets of qudits (with open and closed boundary conditions), we show that one can exactly compute the associated spectral gaps. Indeed, having access to their functional form allows us to prove several important results, such as the fact that the spectral gap for closed boundary condition is exactly the square of the gap for open boundaries, as well as improve on previously known bounds for approximate design convergence. Finally, we verify our theoretical results by numerically computing the spectral gap for systems of up to 70 qubits, as well as comparing them to gaps of random orthogonal and symplectic circuits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

One- and two-body current contributions to lepton-nucleus scattering

Modeling lepton-nucleus scattering with the accuracy required to extract neutrino-oscillation parameters from long- and short-baseline experiments necessitates retaining most quantum-mechanical effects. One such effect is the interference between one- and two-body current operators in the transition currents, which has been known to enhance the cross sections, especially in transverse kinematics. Here, we incorporate such interference in the spectral function formalism, which combines relativistic currents and kinematics with an accurate description of the initial target state. Our analysis of lepton-scattering off 12 C demonstrates that interference effects appreciably enhance the transverse electromagnetic response functions and the flux-folded neutrino-nucleus cross section, in both cases, improving the agreement with experimental data. We discuss the impact on the neutrino-oscillation program and the determination of nucleon axial form factors.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Influence of extended interactions on spin dynamics in one-dimensional cuprates

Quasi-one-dimensional (1D) materials provide a unique platform for understanding the importance and influence of extended interactions on the physics of strongly correlated systems due to their relative structural simplicity and the existence of powerful theoretical tools well-adapted to one spatial dimension. Recently, this was highlighted by anomalous observations in the single-particle spectral function A(q, ω) of 1D cuprate chain compounds, measured by angle-resolved photoemission spectroscopy (ARPES), which were explained by the presence of a long-range attractive interaction. Such an extended interaction should leave its fingerprints on other observables, notably the dynamical spin structure factor S(q, ω), measured by neutron scattering or resonant inelastic x-ray scattering (RIXS). Starting from a simple Hubbard Hamiltonian in 1D and using time-dependent density matrix renormalization group (tDMRG) methods, we show that the presence of long-range attractive coupling, directly through an instantaneous Coulomb interaction V or retarded electron phonon (el-ph) coupling, can introduce significant spectral weight redistribution in S(q, ω) across a wide range of doping. Here, this underscores the significant impact that extended interactions can have on dynamical correlations among particles, and the importance of properly incorporating this influence in modeling. Our results demonstrate that S(q, ω) can provide a sensitive experimental constraint, which complements ARPES measurements, in identifying key interactions in 1D cuprates, beyond the standard Hubbard model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

One dimensional staggered bosons, clock models, and their noninvertible symmetries

We study systems of staggered boson Hamiltonians in a one dimensional lattice and in particular how the translation symmetry by one unit in these systems is in reality a noninvertible symmetry closely related to T-duality. We also study the simplest systems of clock models derived from these staggered boson Hamiltonians. We show that the noninvertible symmetries of these lattice models together with the discrete Z N symmetry predict that these are critical points with a U ( 1 ) current algebra at c = 1 and radius 2 N whenever N > 4 . We also present an independent computation of this value that arises directly from the staggered boson variables and does not use these additional symmetries. We also present a theoretical estimate of the values of critical coupling constants away from the self-dual symmetry point in these clock models. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2025

Energy-momentum tensor in Φ 4 theory at one loop

The energy-momentum tensor form factors are studied in Φ 4 theory to one-loop order with particular focus on the 𝐷-term, a particle property which has attracted a lot of attention in the recent literature. It is shown that the free Klein-Gordon theory value of the 𝐷-term 𝐷 free =−1 is reduced to 𝐷 one-loop =− $\frac{1}{3}$ even if the Φ 4 interaction is infinitesimally small. A companion work in Φ 3 theory confirms this result which may indicate that it is independent of the type of interaction as long as the scalar theory is renormalizable. Dispersion relations are studied. Various definitions of mean square radii including the mechanical radius are investigated. The findings contribute to a better understanding of the energy momentum tensor properties of particles and their interpretation.

form factors↗
DOE OSTI2024

Bulk viscosity of the rigid rotor one-component plasma

Bulk viscosity of a plasma consisting of strongly coupled diatomic ions is computed using molecular dynamics simulations. The simulations are based on the rigid rotor one-component plasma, which is introduced as a model system that adds two degrees of molecular rotation to the traditional one-component plasma. It is characterized by two parameters: the Coulomb coupling parameter, Γ, and the bond length parameter, Ω. Results show that the long-range nature of the Coulomb potential can lead to long rotational relaxation times, which in turn yield large values for bulk viscosity. Here, the bulk-to-shear viscosity ratio is found to span from small to large values depending on the values of Γ and Ω. Although bulk viscosity is often neglected in plasma modeling, these results motivate that it can be large in molecular plasmas with rotational degrees of freedom.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Intrinsic bulk viscosity of the one-component plasma

The intrinsic bulk viscosity of the one-component plasma (OCP) is computed and analyzed using equilibrium molecular dynamics simulations and the Green-Kubo formalism. It is found that bulk viscosity exhibits a maximum at Γ ≈ 1, corresponding to the condition that the average kinetic energy of particles equals the potential energy at the average interparticle spacing. The weakly coupled and strongly coupled limits are analyzed and used to construct a model that captures the full range of coupling strengths simulated: Γ ≈ 10 –2 –10 2 . Simulations are also run of the Yukawa one-component plasma (YOCP) in order to understand the impact of electron screening. It is found that electron screening leads to a smaller bulk viscosity due to a reduction in the excess heat capacity of the system. Bulk viscosity is shown to be at least an order of magnitude smaller than shear viscosity in both the OCP and YOCP. The generalized frequency-dependent bulk viscosity coefficient is also analyzed. This is found to exhibit a peak near twice the plasma frequency in strongly coupled conditions, which is associated with the oscillatory decay observed in the bulk viscosity autocorrelation function. As a result, the generalized shear and bulk viscosity coefficients are found to have a similar magnitude for ω ≳ 2⁢ω p at strongly coupled conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Optical conductivity study of mixed-valent quasi-one-dimensional CeIr 3 ⁢B 2

Here, we present a combined theoretical and experimental study on the optical conductivity of CeIr 3 ⁢B 2 , where quasi-one-dimensional Ce chains form along the 𝑐 axis of the monoclinic crystal. Significant hybridization-induced features are observed along the Ce chains by broadband infrared spectroscopy, demonstrating mixed-valent behavior over a wide range of temperatures (6–300 K) and energies (up to 0.8 eV). The ferromagnetic transition at 41 K had no noticeable influence on the temperature evolution of the optical conductivity. A comparison with density functional theory plus dynamic mean-field theory calculations demonstrates the quasi-one-dimensional nature of CeIr 3 ⁢B 2 and the local character of the interactions responsible for the electronic renormalization. Furthermore, we demonstrate how the spectroscopic signatures of this mixed-valent compound are captured by theory, providing a clear distinction from the response expected in the integer-valent Kondo regime.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Structure of high-lying excited states in 47 Ca with ℓ ≥ 3 populated in fast-beam 𝛾-ray-tagged one-neutron pickup reactions

Located just one neutron removed from doubly magic, stable 48 Ca, the adjacent isotope 47 Ca has been studied extensively with neutron-removing transfer reactions and interpreted within a shell-model picture. Neutron-adding transfer reactions onto the stable 46 Ca, however, have not been performed in nearly 60 years and never with the aid of high-resolution 𝛾-ray spectroscopy. Here, we report on the 12 C⁡( 46 , Ca 47 Ca+𝛾)⁢𝑋 one-neutron pickup reaction from 12 C onto 46 Ca at more than 50 MeV/nucleon, a regime of orbital angular momentum mismatch that selectively populates 47 Ca final states based on ℓ ≥ 3 neutron configurations. Newly observed excited states and 𝛾-ray transitions are discussed in comparison to 𝑓⁡𝑝 shell-model calculations in a variety of configuration spaces. Furthermore, it is shown that the nature of the observed spectrum of final states can be well interpreted, albeit with a significant fragmentation of the 𝜈⁢0⁢𝑓 5/2 strength observed in the measurement that is not borne out in the structure calculations.

39 ≤ A ≤ 58↗
DOE OSTI2025

Engineered chirality of one-dimensional nanowires

The origin and function of chirality in DNA, proteins, and other building blocks of life represent a central question in biology. Observations of spin polarization and magnetization associated with electron transport through chiral molecules, known collectively as the chiral induced spin selectivity effect, suggest that chirality improves electron transfer. Using reconfigurable nanoscale control over conductivity at the LaAlO 3 /SrTiO 3 interface, we create chiral electron potentials that explicitly lack mirror symmetry. Quantum transport measurements on these chiral nanowires reveal enhanced electron pairing persisting to high magnetic fields (up to 18 tesla) and oscillatory transmission resonances as functions of both magnetic field and chemical potential. We interpret these resonances as arising from an engineered axial spin-orbit interaction within the chiral region. The ability to create one-dimensional electron waveguides with this specificity creates opportunities to test, via analog quantum simulation, theories about chirality and spin-polarized electron transport in one-dimensional geometries.

Science & Technology - Other Topics↗
DOE OSTI2025

Source Characterization at Low Yields from Physics Experiment One A

The detonation of a well-recorded coupled explosion at the well-characterized Nevada National Security Site, as part of Physics Experiment One, has provided us with an opportunity to compare and contrast methods and results of yield estimation and other event characterization methods. Yield estimates are made using several methods, including local/regional magnitudes, waveform envelopes, acoustic amplitudes, joint seismoacoustic yield, and moment tensors. We include in our analysis a discussion and comparison of applicability, calibrations, assumptions, and uncertainties involved in each. With the exception of magnitude-based methods, all the techniques were more or less successful in recovering the known yield. It is, however, useful to be cognizant of requirements and calibrations, such as station coverage, emplacement conditions, propagation characterization, and uncertainties, to apply the methods to other areas with less complete information. We demonstrate that we can be successful at monitoring low-yield explosions using a variety of methods assuming that the signal-to-noise ratio is adequate at recording stations, and that the material properties are taken into account. Depth estimates are also important, particularly if one allows the possibility of a surface explosion.

Pasyanos, Michael E. [Lawrence Livermore National ↗
DOE OSTI2024

Prethermalization in coupled one-dimensional quantum gases

We consider the problem of the development of steady states in one-dimensional Bose gas tubes that are weakly coupled to one another through a density-density interaction. We analyze this development through a Boltzmann collision integral approach. We argue that when the leading order of the collision integral, where single particle-hole excitations are created in individual gases, is dominant, the state of the gas evolves first to a non-thermal fixed point, i.e. a prethermalization plateau. This order is dominant when a pair of tubes are inequivalent with, say, different temperatures or different effective interaction parameters, \gamma γ . When both tubes are in the strongly interacting regime we additionally characterize this non-thermal prethermalization plateau by constructing the quasi-conserved quantities that control the existence of this plateau as well as the associated generalized Gibbs ensemble.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Finding ways to reduce nuclear waste: searching for the unknown one step at a time

In my home country, Venezuela, research has been stagnant. Due to the political turmoil and the crisis, many educated people have left the country in search for a better life. This has caused a deficit in any technological and scientific advances, making Venezuela one of the first South American countries to have its rate of publications decline by 29% in 2013. Currently, Venezuela lacks the infrastructure and the means to keep up with the research progress as compared to other countries in South America, such as Brazil. Since coming to the United States (US), and currently working for a national laboratory, the active research environment endorses a wide range of careers and engineering programs that allow researchers to thrive at any given field. Researchers have access to funds and tools to succeed in developing materials for the future. There are 17 national laboratories in the US, and all of these have a different research focus/objective. As examples, Los Alamos National Laboratory and Sandia National Laboratory focus is on national homeland security, weapon science, radiation effects, among others. Argonne National Laboratory focuses on nuclear energy, energy storage, high performance computing, etc. At Idaho National Laboratory (INL) the research focuses on innovating nuclear energy and clean energy resources, critical infrastructure materials, along with fuel cycle solutions to manage, dispose and find ways to recycle current and future radiological waste. Compared to other national laboratories, INL focuses slightly more on applied processes and how nuclear energy can be innovated to next reactor design and technologies. The research being conducted at INL made me apply for a Seaborg distinguished postdoctoral position. For the position itself, the researcher must submit a proposal related to actinide chemistry on a research field area. In this position, 50% of my time will be focused on my own proposal. The proposal that I am working on is focused on the innovation of nuclear energy and fuel cycle recycling, which is why I was mainly interested on working at this national laboratory. To give a bit more context of what my proposal is about, a little bit of background is necessary: After the nuclear fuel (UO2) is used in a reactor, the fuel matrix is then characterized by various fission products (FP). Among these FP (including rare earth elements, alkali/alkaline earths, and actinides), many can potentially be recovered through nuclear reprocessing technologies. In pyroprocessing, the used nuclear fuel undergoes electrochemical dissolution into a molten chloride salt mixture in an electrorefiner. Initially, uranium is reduced onto an inert cathode by applied potentials. However, numerous remaining FPs accumulate in the melt and pose challenges for recovery by an inert electrode, particularly the rare earth elements (e.g., Nd, Gd, Pr, Sm) due to their multivalent oxidation states and tendencies toward side reactions, leading to their dissolution in the electrolyte. These recovery challenges result in inefficiencies and necessitate the continual discarding of the molten chloride salt, thereby generating additional waste. Furthermore, the presence of rare earth elements and other fission products in the molten salt electrolyte alters its physical and chemical properties, affecting both uranium recovery efficiency and the longevity of the molten chloride salt. To improve the recovery efficiency of the FP, specifically rare earth elements, I am investigating the fundamental interactions between rare earth elements in the molten chloride salt and their metallic form. The kinetic pathways and the chemical reactions of these elements will give insights on how the recovery efficiency can be improved. The interactions and speciation of these elements are being studied by spectro-electrochemistry at high temperature environments in quartz and other ceramic materials (e.g., alumina crucibles). Some of the challenges I am facing specifically relates the reactivity of some of these elements with different glass and crucible materials. Although my research focuses on fundamental science, it will benefit the applied process by generating new scientific knowledge and closing the gap for an efficient recycling of the waste: one step at a time.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

One Earth Energy Static and Dynamic Reservoir Modeling

This report presents the static and dynamic reservoir modeling conducted for the CarbonSAFE Phase III Illinois Storage Corridor project to assess the feasibility of commercial-scale CO 2 storage in the Mt. Simon Sandstone at the One Earth Energy (OEE) site in McLean County, Illinois. Three-dimensional geocellular models of the Mt. Simon storage complex were developed in Petrel ® by integrating petrophysical log data, core analyses, and seismic surveys from the OEE #1 stratigraphic test well and two nearby wells, with multiple model versions created as new data became available. Dynamic reservoir simulations, performed using Landmark's Nexus software, progressed through three phases (preliminary, sensitivity, and UIC Class VI permit studies) evaluating injection scenarios across varying rates, well orientations, permeability models, and multi-well configurations. Results demonstrate that commercial-scale storage is feasible: three injection wells spaced approximately one mile apart can store a total of 90 million tonnes of CO 2 over 20 years, producing a combined plume with an equivalent radius of 3.2 miles and a maximum pressure-front-defined Area of Review of 178 mi 2 at the end of injection that diminishes to 34 mi 2 after 50 years of post-injection monitoring. Sensitivity analyses indicate that a 20% change in porosity or permeability yields approximately a 7% change in AoR radius, and that perforating the high-permeability arkosic zone minimizes the pressure front compared to injection in the upper Mt. Simon Sandstone.

09 BIOMASS FUELS↗
DOE OSTI2024

Challenges and Solutions for Leave-One-Out Biosensor Design in the Context of a Rugged Fitness Landscape

The leave-one-out (LOO) green fluorescent protein (GFP) approach to biosensor design combines computational protein design with split protein reconstitution. LOO-GFPs reversibly fold and gain fluorescence upon encountering the target peptide, which can be redefined by computational design of the LOO site. Such an approach can be used to create reusable biosensors for the early detection of emerging biological threats. Enlightening biophysical inferences for nine LOO-GFP biosensor libraries are presented, with target sequences from dengue, influenza, or HIV, replacing beta strands 7, 8, or 11. An initially low hit rate was traced to components of the energy function, manifesting in the over-rewarding of over-tight side chain packing. Also, screening by colony picking required a low library complexity, but designing a biosensor against a peptide of at least 12 residues requires a high-complexity library. This double-bind was solved using a “piecemeal” iterative design strategy. Also, designed LOO-GFPs fluoresced in the unbound state due to unwanted dimerization, but this was solved by fusing a fully functional prototype LOO-GFP to a fiber-forming protein, Drosophila ultrabithorax, creating a biosensor fiber. One influenza hemagglutinin biosensor is characterized here in detail, showing a shifted excitation/emission spectrum, a micromolar affinity for the target peptide, and an unexpected photo-switching ability.

Chemistry↗