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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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32 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Dynamic, symmetry-preserving, and hardware-adaptable circuits for quantum computing many-body states and correlators of the Anderson impurity model

We present a hardware-reconfigurable ansatz on N q -qubits for the variational preparation of many-body states of the Anderson impurity model (AIM) with N imp + N bath = N q /2 sites, which conserves total charge and spin z component within each variational search subspace. The many-body ground state of the AIM is determined as the minimum over all minima of O(N$^2_ q$) distinct charge-spin sectors. Hamiltonian expectation values are shown to require ω(N q ) < N meas. $\leqslant$ O(N imp N bath ) symmetry-preserving, parallelizable measurement circuits, each amenable to postselection. To obtain the one-particle impurity Green’s function we show how initial Krylov vectors can be computed via midcircuit measurement and how Lanczos iterations can be computed using the symmetry-preserving ansatz. For a single-impurity Anderson model with a number of bath sites increasing from one to seven, we show using numerical emulation that the ease of variational ground-state preparation is suggestive of linear scaling in circuit depth and subquartic scaling in optimizer complexity. We therefore expect that, combined with time-dependent methods for Green’s function computation, our ansatz provides a useful tool to account for electronic correlations on early fault-tolerant processors. Finally, with a view towards computing real materials properties of interest like magnetic susceptibilities and electron-hole propagators, we provide a straightforward method to compute many-body, time-dependent correlation functions using a combination of time evolution, midcircuit measurement-conditioned operations, and the Hadamard test.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Benchmark Solutions for Radiation Transport in Stochastic Media with Inhomogeneous Material Statistics

Accurately solving implicit Monte Carlo (IMC) thermal photon transport problems with mixed material cells is important in realistic applications. The production IMC package at LLNL treats mixed material cells arising from ALE remap and hydrodynamics using the same approximate model. The new Imp IMC thermal photon transport package currently under development has both a material interface reconstruction (MIR) algorithm and a Levermore-Pomraning (LP) stochastic medium algorithm for treating mixed material cells. Existing stochastic medium algorithms for treating mixed material cells in IMC lack a complete theoretical basis. The IMC LP algorithm implementation has been demonstrated to reproduce published deterministic LP solutions for the particular case of spatially homogeneous material statistics. Realistic simulations will include spatially inhomogeneous material statistics (material mean chord lengths). In a previous investigation, the LP-model for transport in binary stochastic media in rod geometry was generalized to accommodate spatially varying material chord lengths, i.e., the mixing statistics were allowed to be nonhomogeneous. Analytical solutions were obtained and used to produce a verifi cation suite for the Imp IMC Levermore-Pomraning implementation for different spatial variations of the chord lengths. However, the accuracy of the LP model when the mixing statistics are nonhomogeneous has not been assessed and leaves open the question of whether local accuracy is improved or further degraded when chord lengths are not uniform. This shortcoming is rectifi ed here by developing benchmark analytic solutions for transport in binary Markovian stochastic mixtures in rod geometry with nonhomogeneous mixing statistics, using spatially varying chord lengths considered in the previous investigation based on the LP model. Methods for sampling a nonhomogeneous Poisson process (NHPP) are first described and used to construct individual realizations of the binary mixtures in rod geometry. Analytic solutions are then obtained for the forward and backward directed fluxes on a given realization, now viewed as a deterministic medium with alternating layers of the two materials with known interface locations. Finally, material averaged scalar fluxes are obtained using these sampling schemes with spatially linear and quadratic chord lengths and used to assess the accuracy of the previously obtained LP-model results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Mesoporous CuFe 2 O 4 Photoanodes for Solar Water Oxidation: Impact of Surface Morphology on the Photoelectrochemical Properties**

Abstract Metal oxide‐based photoelectrodes for solar water splitting often utilize nanostructures to increase the solid‐liquid interface area. This reduces charge transport distances and increases the photocurrent for materials with short minority charge carrier diffusion lengths. While the merits of nanostructuring are well established, the effect of surface order on the photocurrent and carrier recombination has not yet received much attention in the literature. To evaluate the impact of pore ordering on the photoelectrochemical properties, mesoporous CuFe 2 O 4 (CFO) thin film photoanodes were prepared by dip‐coating and soft‐templating. Here, the pore order and geometry can be controlled by addition of copolymer surfactants poly(ethylene oxide)‐ block ‐poly(propylene oxide)‐ block ‐poly(ethylene oxide) (Pluronic® F‐127), polyisobutylene‐ block ‐poly(ethylene oxide) (PIB‐PEO) and poly(ethylene‐ co ‐butylene)‐ block ‐poly(ethylene oxide) (Kraton liquid™‐PEO, KLE). The non‐ordered CFO showed the highest photocurrent density of 0.2 mA/cm 2 at 1.3 V vs. RHE for sulfite oxidation, but the least photocurrent density for water oxidation. Conversely, the ordered CFO presented the best photoelectrochemical water oxidation performance. These differences can be understood on the basis of the high surface area, which promotes hole transfer to sulfite (a fast hole acceptor), but retards oxidation of water (a slow hole acceptor) due to electron‐hole recombination at the defective surface. This interpretation is confirmed by intensity‐modulated photocurrent (IMPS) and vibrating Kelvin probe surface photovoltage spectroscopy (VKP‐SPS). The lowest surface recombination rate was observed for the ordered KLE‐based mesoporous CFO, which retains spherical pore shapes at the surface resulting in fewer surface defects. Overall, this work shows that the photoelectrochemical energy conversion efficiency of copper ferrite thin films is not just controlled by the surface area, but also by surface order.

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

Highly deformable Mg–Al–Ca alloy with Al 2 Ca precipitates

Magnesium (Mg) is the lightest structural metal. However, the poor formability of Mg alloys to great extent limits their applications in making structural parts. Formability is strongly correlated to both high tensile elongation and large work hardening capacity. In this work, we report a new Mg-Al-Ca alloy in which a majority of deformable Al 2 Ca precipitates form while the formation of Laves phases of Mg 17 Al 12 and Mg 2 Ca seems suppressed. Al 2 Ca precipitates imped dislocation motion, leading to large work hardening. Then, Al 2 Ca precipitates deform with dislocations and stacking faults under the enhanced flow stress, which relieve local stress concentration and improve tensile elongation. In addition, solutes Al and Ca suppress twin nucleation while promoting non-basal dislocations in Mg. Our Mg-Al-Ca alloy demonstrates one of the highest combinations of tensile elongation and work hardening capacity among existing Mg alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2023

First benchmarked electron cooling simulations from first principles

We present the first microscopic electron cooling simulations from first principles with accurate prediction of cooling time. These simulations were performed using our previously developed numerical method, PHAD, which is the first efficient large-scale collisional numerical method in beam physics. The simulation results are benchmarked with the experimental data of the low energy bunched electron cooling of ion beams at the storage ring CSRm at the IMP facility in China. Here, we have accurately considered the nonlinear dynamics in the whole accelerator system in addition to the electron cooling section. As a result, our simulations correctly reproduced cooling times of the experiments from first principles and without any tuning or fitting parameters in the code.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Probing the Magnetosheath Boundaries Using Interstellar Boundary Explorer (IBEX) Orbital Encounters

Inside the magnetosheath, the IBEX-Hi energetic neutral atom (ENA) imager measures a distinct background count rate that is more than 10 times the typical heliospheric ENA emissions observed when IBEX is outside the magnetosheath. The source of this enhancement is magnetosheath ions of solar wind (SW) origin that deflect around the Earth's magnetopause (MP), scatter and neutralize from the anti-sunward part of the IBEX-Hi sunshade, and continue into the instrument as neutral atoms, behaving indistinguishably from ENAs emitted from distant plasma sources. While this background pollutes observations of outer heliospheric ENAs, it provides a clear signature of IBEX crossings over the magnetospheric boundaries. In this study, we investigate IBEX encounters with the magnetosheath boundaries using ~8 yr of orbital data, and we determine the MP and bow shock (BS) locations derived from this background signal. We find 280 BS crossings from X GSE ~ 11 R e to X GSE ~ –36 R e and 241 MP crossings from X GSE ~ 6 R e to X GSE ~ –48 R e . We compare IBEX BS and MP crossing locations to those from IMP-8, Geotail, Cluster, Magion-4, ISEE, and Magnetospheric Multiscale Mission, and we find that IBEX crossing locations overlap with the BS and MP locations inferred from these other data sets. In this paper, we demonstrate how IBEX can be used to identify magnetosheath crossings, and extend boundary observations well past the terminator, thus further constraining future models of magnetosheath boundaries. Furthermore, we use the IBEX data set to show observational evidence of near-Earth magnetotail squeezing during periods of strong interplanetary magnetic field B y .

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Constraining explosive nucleosynthesis by indirect reaction methods at storage rings using unstable beams in batch mode

Nuclear reaction studies on unstable isotopes can strongly help in improving our understanding of nucleosynthesis in stars. Indirect approaches to determining astrophysical reaction rates are increasingly common-place and undergoing continuous refinement. Of particular interest is the use of such indirect techniques at storage rings, which, among other aspects, allow to recycle rare unstable beams. Here, we propose to investigate the reaction rates of astrophysical interest using indirect methods (surrogate, Trojan horse, etc.) in reverse kinematics at the IMP-CAS storage ring. Long lived radioactive ion beams, produced remotely, can be accelerated, and made to interact with light targets. The proposed reactions are 85 Kr(p, p’γ), 85 Kr(d, pγ), constraining the neutron flux in an s-process branching point, 79 Se(p, p’γ), 79 Se(d, pγ), constraining the temperature in s-process nucleosyntheses, and 59 Fe(d, pγ), constraining core collapse supernovae.

Angelis, G. de [National Inst. of Nuclear Physics ↗
DOE OSTI2023

Laser-direct-drive fusion target design with a high- Z gradient-density pusher shell

Laser-direct-drive fusion target designs with solid deuterium-tritium (DT) fuel, a high-Z gradient-density pusher shell (GDPS), and a Au-coated foam layer have been investigated through both 1D and 2D radiation-hydrodynamic simulations. Compared with conventional low-Z ablators and DT-push-on-DT targets, these GDPS targets possess certain advantages of being instability-resistant implosions that can be high adiabat (α ≥ 8) and low hot-spot and pusher-shell convergence (CR hs ≈ 22 and CR PS ≈ 17), and have a low implosion velocity (v imp < 3 × 10 7 cm/s). Using symmetric drive with laser energies of 1.9 to 2.5 MJ, 1D LILAC simulations of these GDPS implosions can result in neutron yields corresponding to >~50–MJ energy, even with reduced laser absorption due to the cross-beam energy transfer (CBET) effect. Two-dimensional DRACO simulations show that these GDPS targets can still ignite and deliver neutron yields from 4 to ~10 MJ even if CBET is present, while traditional DT-push-on-DT targets normally fail due to the CBET-induced reduction of ablation pressure. If CBET is mitigated, these GDPS targets are expected to produce neutron yields of >20 MJ at a driven laser energy of ~2 MJ. Here are the key factors behind the robust ignition and moderate energy gain of such GDPS implosions are as follows: (1) The high initial density of the high-Z pusher shell can be placed at a very high adiabat while the DT fuel is maintained at a relatively low-entropy state; therefore, such implosions can still provide enough compression ρR >1 g/cm 2 for sufficient confinement; (2) the high-Z layer significantly reduces heat-conduction loss from the hot spot since thermal conductivity scales as ~1/Z; and (3) possible radiation trapping may offer an additional advantage for reducing energy loss from such high-Z targets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Uncovering Non-Fermi-Liquid Behavior in Hund Metals: Conformal Field Theory Analysis of an SU(2)×SU(3) Spin-Orbital Kondo Model

Hund metals have attracted attention in recent years due to their unconventional superconductivity, which supposedly originates from non-Fermi-liquid (NFL) properties of the normal state. When studying Hund metals using dynamical mean-field theory, one arrives at a self-consistent “Hund impurity problem” involving a multiorbital quantum impurity with nonzero Hund coupling interacting with a metallic bath. If its spin and orbital degrees of freedom are screened at different energy scales, T sp < T orb , the intermediate energy window is governed by a novel NFL fixed point, whose nature had not yet been clarified. We resolve this problem by providing an analytical solution of a paradigmatic example of a Hund impurity problem, involving two spin and three orbital degrees of freedom. To this end, we combine a state-of-the-art implementation of the numerical renormalization group, capable of exploiting non-Abelian symmetries, with a generalization of Affleck and Ludwig’s conformal field theory (CFT) approach for multichannel Kondo models. We characterize the NFL fixed point of Hund metals in detail for a Kondo model with an impurity forming an SU ( 2 ) × SU ( 3 ) spin-orbital multiplet, tuned such that the NFL energy window is very wide. The impurity’s spin and orbital susceptibilities then exhibit striking power-law behavior, which we explain using CFT arguments. We find excellent agreement between CFT predictions and numerical renormalization group results. Our main physical conclusion is that the regime of spin-orbital separation, where orbital degrees of freedom have been screened but spin degrees of freedom have not, features anomalously strong local spin fluctuations: the impurity susceptibility increases as χ sp imp ~ ω – γ , with γ > 1 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Radar Motion Measurements and Synthetic Aperture Radar Image Geolocation Accuracy

Once a Synthetic Aperture Radar (SAR) image is formed, the natural question then is, "Where is this image?" and/or "Where exactly is this feature displayed in the image?" Thus, geolocation is an important exploitation of the SAR image. Since SAR measures relative location to its own position, it is crucial to understand how the radars position and motion imp acts the ability to geolocate a feature in the SAR image. Furthermore, accuracy and precision of navigation aids like GPS directly impact the goodness of the geolocation solution. These relationships are developed and discussed.

58 GEOSCIENCES↗
DOE OSTI2022

Designing Harvesting and Hauling Cost Models for Energy Cane Production for Biorefineries

The harvesting and hauling operations of bioenergy feedstock is an important area in biofuel production. Production costs can be minimized by maintaining optimal machinery units for these operations. The objective of this study is to design an optimal harvesting unit for bioenergy refinery and estimate harvesting and hauling costs of energy cane. A biorefinery with the annual capacity of processing twenty-five million imp. gallons of ethanol were considered. Given the efficiency of harvesting, a two-row soldier system was considered. Considering the year-round supply of energy cane to the refinery, the optimal machinery unit was designed, and the combined operation costs were derived. The average estimated ownership, repair, labor and fuel and lubricant costs of biomass harvest unit were calculated to be $\$$0.50, $\$$0.54, $\$$1.78 and $\$$1.51/mt, respectively. The costs distribution generated showed harvesting and hauling costs could range between $\$$5.47–$\$$9.23/mt of energy cane. The methodology and the research output will provide guidelines for investors in designing harvesting and hauling units and estimating costs for different scales of operation.

09 BIOMASS FUELS↗
DOE OSTI2022

Tracking and Rejection of Biased Sinusoidal Signals Using Generalized Predictive Controller

Some novel applications require the tracking/rejection of biased sinusoidal reference/distur-bances. According to the internal model principle (IMP), a controller must embed the model of a biased sinusoidal signal to track references and also reject perturbations modeled through the aforementioned signal. However, the design of that kind of controller is not straightforward, especially when they are implemented in digital processors. This paper presents a controller, based on generalized predictive control (GPC), designed for tracking/rejection of biased sinusoidal signals. In general, GPC is based on the prediction of the plant responses through an augmented prediction model. The proposed approach develops an augmented model that predicts the future errors. The prediction model and the control law used in the proposed approach embed the discrete-time model of a biased sinusoidal signal. Thus, the proposed controller can track/reject biased sinusoidal references/disturbances. The predicted errors and the future inputs of the proposed augmented model are used to define the cost function that measures the control performance. An optimization technique was applied to obtain the solution of the cost function, which is the optimal sequence of future model inputs that allows defining the control law. Experimental tests prove that the proposed controller can asymptotically track and reject biased sinusoidal signals.

42 ENGINEERING↗
DOE OSTI2026

Ab initio many-fermion structure calculations on a quantum computer

To overcome the limitations of existing algorithms for solving self-bound quantum many-body problems—such as those encountered in nuclear and particle physics—that access only a restricted subset of energy levels and provide limited structural information, we introduce and demonstrate a novel quantum-classical approach capable of resolving the complete bound-state spectrum. This method also provides the total angular momentum 𝐽 associated with each eigenstate. Here, our approach is based on expressing the Hamiltonian in second-quantized form within a novel input model combined with a scan scheme, enabling broad applicability to configuration-interaction calculations across diverse fields. We apply this hybrid method to compute, for the first time, the bound-state spectrum together with corresponding 𝐽 values of 20 O using a realistic strong-interaction Hamiltonian. Our approach applies to hadron spectra and 𝐽 values solved in the relativistic basis light-front quantization approach.

Du, Weijie [Chinese Academy of Sciences (CAS), Lan↗
DOE OSTI2025

Solar fusion III: New data and theory for hydrogen-burning stars

In stars that lie on the main sequence in the Hertzsprung-Russell diagram, like our Sun, hydrogen is fused to helium in a number of nuclear reaction chains and series, such as the proton-proton chain and the carbon-nitrogen-oxygen cycles. Precisely determined thermonuclear rates of these reactions lie at the foundation of the standard solar model. This review, the third decadal evaluation of the nuclear physics of hydrogen-burning stars, is motivated by the great advances made in recent years by solar neutrino observatories, putting experimental knowledge of the proton-proton (𝑝⁢𝑝)-chain neutrino fluxes in the few-percent precision range. The basis of the review is a one-week community meeting held in July 2022 in Berkeley, California, and many subsequent digital meetings and exchanges. The relevant reactions of solar and stellar hydrogen burning are reviewed here from both theoretical and experimental perspectives. Recommendations for the state of the art of the astrophysical 𝑆 factor and its uncertainty are formulated for each of them. Furthermore, several other topics of paramount importance for the solar model are reviewed as well: recent and future neutrino experiments, electron screening, radiative opacities, and current and upcoming experimental facilities. In addition to reaction-specific recommendations, general recommendations are also formed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗