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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

Systematic Study of the Self-Renormalized Nucleon Gluon PDF in Large-Momentum Effective Theory

We present a systematic study of the nucleon gluon parton distribution function (PDF) using the self-renormalized large-momentum effective theory (LaMET) approach in lattice QCD. This work extends previous gluon-PDF extractions by performing a detailed analysis of key systematic effects, including gauge-link smearing, lattice spacing, pion mass, and nucleon boost momentum. The self-renormalization framework mitigates ultraviolet divergences associated with Wilson-line self-energy and renormalon contributions by combining lattice matrix elements with perturbative short-distance information, thereby preserving the correct infrared structure. Calculations are performed on $N_f=2+1+1$ HISQ ensembles generated by the MILC Collaboration at three lattice spacings and two pion masses, with boosted nucleon states reaching momenta up to 2.2~GeV. We determine renormalization factors from zero-momentum matrix elements and apply hybrid renormalization to suppress discretization artifacts. After extrapolating large-separation behavior and performing Fourier transforms, we reconstruct quasi-PDFs and match them to lightcone PDFs using next-to-leading order Wilson coefficients. Our results demonstrate that smearing and lattice-spacing effects are under control, and pion-mass and lattice-spacing dependence is mild relative to the current $O(10^6)$ statistics; however, momentum dependence remains a significant source of uncertainty. Future work including even larger boost momenta will be essential to reduce systematics in lattice determinations of the gluon PDF and to advance toward precision QCD phenomenology at the LHC and the future Electron-Ion Collider.

FOS: Physical sciences↗
DOE OSTI2025

Appraising constrained second-order power corrections in HQET with Λ b →Λ c Ι⁢ν

We derive the Λ b →Λ c form factors for the Standard Model and beyond at second order in heavy quark effective theory, applying the recently proposed residual chiral expansion to reduce the set of unknown subsubleading hadronic functions to a single, highly constrained function, that is fully determined by hadron mass parameters at zero recoil. We fit a form factor parametrization based on these results to all available lattice QCD predictions and experimental data. We find that the constrained and predictive structure of the form factors under the residual chiral expansion is in excellent agreement with lattice QCD predictions and experimental data, as well as prior heavy-quark-effective-theory-based fits.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

False Indications of Dose-Response Nonlinearity in Large Epidemiologic Cancer Radiation Cohort Studies; A Simulation Exercise

This study explores the likely prevalence of false indications of dose-response nonlinearity in large epidemiologic cancer radiation cohort studies (A-bomb survivors, INWORKS, Techa River). Reasons: Increasing numbers of tests of nonlinearity are being made in studies. Hypothesized nonlinear dose-response models have been justified to policy makers by analyses that rely in part on isolated findings that could be statistical fluctuations. After removing dose nonlinearity (linearization) by adjusting person-years of observation at each dose category, indications of nonlinearity, necessarily false, were counted in 5,000 randomized replications of six datasets. The average frequency of any false positive for five indicators of nonlinearity tested against a linear null was roughly 25% in Monte Carlo simulations per study, consistent with binomial calculations, increasing to ~50% within 6 studies assessed. Comparable frequencies were found using Akaike's information criterion (AIC) for model selection or multi-model averaging. False above-zero threshold doses were found more than 50% of the time, averaging to 0.05 Gy, consistent with findings in the 6 studies. Such bias, uncorrected, could distort meta-analyses of multiple studies, because meta-analyses can incorporate high P value findings. AIC-based correction for the extra threshold parameter lowered these false occurrences to 8 to 19%. Given the simulation rates, the possibility of false positives might be noted when isolated findings of nonlinearity are discussed in a regulatory context. When reporting a threshold dose with a P value > 0.05, it would be informative to note the expected high false prevalence rate due to bias.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2025

Benchmarking a Tunable Quantum Neural Network on Trapped-Ion and Superconducting Hardware

We implement a quantum generalization of a neural network on trapped-ion and IBM superconducting quantum computers to classify MNIST images, a common benchmark in computer vision. The network feedforward involves qubit rotations whose angles depend on the results of measurements in the previous layer. The network is trained via simulation, but inference is performed experimentally on quantum hardware. The classical-to-quantum correspondence is controlled by an interpolation parameter, $a$, which is zero in the classical limit. Increasing $a$ introduces quantum uncertainty into the measurements, which is shown to improve network performance at moderate values of the interpolation parameter. We then focus on particular images that fail to be classified by a classical neural network but are detected correctly in the quantum network. For such borderline cases, we observe strong deviations from the simulated behavior. We attribute this to physical noise, which causes the output to fluctuate between nearby minima of the classification energy landscape. Such strong sensitivity to physical noise is absent for clear images. We further benchmark physical noise by inserting additional single-qubit and two-qubit gate pairs into the neural network circuits. Our work provides a springboard toward more complex quantum neural networks on current devices: while the approach is rooted in standard classical machine learning, scaling up such networks may prove classically non-simulable and could offer a route to near-term quantum advantage.

FOS: Physical sciences↗
DOE OSTI2022

Finite flame thickness effects on Kolmogorov-Petrovsky-Piskunov turbulent burning velocities

KPP (Kolmogorov-Petrovsky-Piskunov) solutions of the reaction-diffusion equation have application in various physical phenomena occurring in biology, ecology, and reacting flows. In particular, these solutions are commonly used in turbulent combustion to scale turbulent burning velocities. Subject to certain conditions on reaction rate profile through the flame brush and turbulent diffusivity, this theory relates the turbulent burning velocity to the derivative of the reaction rate ($\tilde{ω}$) at the leading edge of the flame brush ($d\tilde{ω}$/$d\tilde{c}$ | $\tilde{c} =$0 ). Such waves are often referred to as “pulled fronts.” However, turbulent flames never actually satisfy the KPP conditions for a pulled front, as the turbulent flame brush, parametrized here by the thickness δ t , consists of an ensemble of laminar flamelets of thickness δ, where ε=δ/δ t $\ll$ 1 is very small, but nonzero, and $d\tilde{ω}$ /$d\tilde{c}$ tends to zero at the brush leading edge for high activation energy, combustion-type kinetics. Here, this paper analyzes these effects on KPP wave solutions, parametrized by ε=δ/δ t and Zeldovich number Ze focusing on whether turbulent flames retain their pulled front character and what the correction to the KPP wave speed is. Variational solutions of the reaction-diffusion equation show that the solution can be expanded in powers of 1/|ln⁡ε|. Both numerical and asymptotic results are presented, showing that the wave still exhibits pulled front solutions but with significant corrections to the KPP result. The leading order correction is of the form |ln⁡ε| –2 and independent of Ze. Higher order corrections are function of both ε and Ze. However, the dominant factor influencing the wave speed correction is due to the finite ε, with Ze exhibiting a weaker effect.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Investigation of the effect of local atomic polarization on field-enhanced ion transport in insulating binary oxides: The case of CeO 2

Over the course of more than 70 years, several theoretical models for electric field-enhanced ion diffusion in crystalline insulators have been presented. However, there is no assessment of the validity of these models despite the urge to have a correct description of field-enhanced ion diffusion in several emerging technologies. Herein, an assessment of five models was carried out by computing the field-dependent migration enthalpy ΔH mig (E) for the oxide ion in CeO 2 . The input to these models is the zero-field and zero-temperature migration pathway and/or the activation barrier obtained from an interatomic potential. ΔH mig (E) from these models was compared with reference values obtained from a set of classical molecular-dynamics simulations in the temperature range of 1000 ≤ T ≤ 1600 K and the electric field range of 0 ≤ E ≤ 30 MV/cm. It is revealed that the most successful theoretical models are those that consider local polarization effects induced in the diffusing ion itself and its vicinity. However, all the models did not account for the effect of the electric field and finite temperature on the local polarization, leading to discrepancies between the predicted and the reference ΔH mig (E), particularly at high fields. By comparing results from a rigid-ion potential and a polarizable core-shell potential, it is concluded that an intraionic polarization degree of freedom in the polarizable potential is an important factor in predicting ΔH mig (E), regardless of the field-enhanced diffusion model particularly for low to moderate field. Finally, future more accurate treatments should consider the field- and temperature-dependent interionic and intraionic local polarization effects.

36 MATERIALS SCIENCE↗
DOE OSTI2020

(U) LNK3DNT Capability in SENSMG Tested with Transport Correction

The SENSMG multigroup neutron sensitivity code can read materials and geometry from redoin and lnk3dnt files written by the PARTISN multigroup discrete ordinates code or the MCNP6 Monte Carlo code. Reference 5 described an initial version of this capability. Reference 6 introduced two important extensions: 1) Reaction-rate ratios are now allowed as responses with redoin/lnk3dnt inputs; and 2) Sensitivities of reaction-rate ratios to mass densities and interface locations are now calculated (for all problems, not just redoin/lnk3dnt problems). In this report, we document the testing of the redoin/lnk3dnt capability when used with transport correction. PARTISN’s transport corrections are described in Ref. 3, and Refs. 7 and 8 discuss the calculation of cross-section sensitivities when transport corrections are applied. References 7 and 8 verify SENSMG for problems with transport correction using central differences. This report verifies the capability with redoin/lnk3dnt inputs by comparison with regular SENSMG inputs. Unlike Refs. 5 and 6, in this report we use a spherical test problem because the sensitivity of the response with respect to the highest-order scattering is zero in cylinders due to the use of flux moments in the inner products.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

First-Order Individual Gas Sensors as Next Generation Reliable Analytical Instruments

It is conventionally expected that the performance of existing gas sensors may degrade in the field compared to laboratory conditions because (i) a sensor may lose its accuracy in the presence of chemical interferences and (ii) variations of ambient conditions over time may induce sensor-response fluctuations (i.e., drift). Breaking this status quo in poor sensor performance requires understanding the origins of design principles of existing sensors and bringing new principles to sensor designs. Existing gas sensors are single-output (e.g., resistance, electrical current, light intensity, etc.) sensors, also known as zero-order sensors (Karl Booksh and Bruce R. Kowalski, Analytical Chemistry, DOI: 10.1021/ac00087a718). Any zero-order sensor is undesirably affected by variable chemical background and sensor drift that cannot be distinguished from the response to an analyte. To address these limitations, we are developing multivariable gas sensors with independent responses, which are first-order analytical instruments. Here, we demonstrate self-correction against drift in two types of first-order gas sensors that operate in different portions of the electromagnetic spectrum. Our radiofrequency sensors utilize dielectric excitation of semiconducting metal oxide materials on the shoulder of their dielectric relaxation peak and achieve self-correction of the baseline drift by operation at several frequencies. Our photonic sensors utilize nanostructured sensing materials inspired by Morpho butterflies and achieve self-correction of the baseline drift by operation at several wavelengths. These principles of self-correction for drift effects in first-order sensors open opportunities for diverse emerging monitoring applications that cannot afford frequent periodic maintenance that is typical of traditional analytical instruments.

Potyrailo, Radislav A.↗
DOE OSTI2020

Confirmation of the PPLB Derivative Discontinuity: Exact Chemical Potential at Finite Temperatures of a Model System

The landmark 1982 paper of Perdew, Parr, Levy, and Balduz (often called PPLB) laid the foundation for our modern understanding of the role of the derivative discontinuity in density functional theory, which drives much development to account for its effects. A simple model for the chemical potential at vanishing temperature played a crucial role in their argument. We investigate the validity of this model in the simplest non-trivial system to which it can be applied and which can be easily solved exactly, the Hubbard dimer. We find exact agreement in the crucial zero-temperature limit, and show the model remains accurate for a significant range of temperatures. We identify how this range depends on the strength of correlations. We extend the model to approximate free energies accounting for the derivative discontinuity, a feature missing in standard semilocal approximations. Here, we provide a correction to this approximation to yield even more accurate free energies. We discuss the relevance of these results for warm dense matter.

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

Mana and thermalization: Probing the feasibility of near-Clifford Hamiltonian simulation

Quantum hydrodynamics is the emergent classical dynamics governing transport of conserved quantities in generic strongly interacting quantum systems. Here, recent matrix product operator methods [1,2] have made simulations of quantum hydrodynamics in 1+1D tractable, but they do not naturally generalize to 2+1D or higher, and they offer limited guidance as to the difficulty of simulations on quantum computers. Near-Clifford simulation algorithms are not limited to one dimension, and future error-corrected quantum computers will likely be bottlenecked by non-Clifford operations. We therefore investigate the non-Clifford resource requirements for simulation of quantum hydrodynamics using mana, a resource theory of non-Clifford operations. For infinite-temperature starting states, we find that the mana of subsystems quickly approaches zero, while for starting states with energy above some threshold the mana approaches a nonzero value. Surprisingly, in each case the finite-time mana is governed by the subsystem entropy, not the thermal state mana; we argue that this is because mana is a sensitive diagnostic of finite-time deviations from canonical typicality.

1-dimensional spin chains↗
DOE OSTI2020

Renormalization scale setting for heavy quark pair production in $e^+e^–$ annihilation near the threshold region

Heavy fermion pair production in e + e – annihilation is a fundamental process in hadron physics and is of considerable interest for various phenomena. In this paper, we will apply the principle of maximum conformality (PMC) to provide a comprehensive analysis of these processes. The PMC provides a systematic, unambiguous method for determining the renormalization scales of the QCD coupling constant for single-scale and multiple-scale applications. The resulting predictions eliminate any renormalization scheme-and-scale ambiguities, eliminate the factorial renormalon divergences, and are consistent with the requirements of the renormalization group. It is remarkable that two distinctly different scales are determined by using the PMC for heavy fermion pair production near the threshold region. One scale is the order of the fermion mass m f , which enters the hard virtual corrections, and the other scale is of order v m f , where v is the quark velocity, which enters the Coulomb rescattering amplitude. The PMC scales yield the correct physical behavior and reflect the virtuality of the propagating gluons (photons) for the QCD (QED) processes. Moreover, we demonstrate the consistency of PMC scale setting from QCD to QED. Perfect agreement between the Abelian unambiguous Gell-Mann-Low and the PMC scale-setting methods in the limit of zero number of colors is demonstrated.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

An Assessment of Receiver Algorithms for Distributed Massive MIMO Systems: Investigating Design Solutions and Performance

This study investigates receiver design solutions for distributed Massive Multiple Input Multiple Output (D-m MIMO) systems, taking into account parameters such as number of access points as well as concerns related to channel estimates that use single-carrier frequency-domain equalization (SC-FDE). A significant contribution of this research is the integration of Low-Density Parity-Check (LDPC) codes to simplify coding complexity and enhance communication efficiency. The research examines different receiver designs, such as spatial antenna correlation and sophisticated channel estimation methods. The authors propose integrating LDPC codes into the receiver architecture to simplify computations and enhance error correction and decoding. Moreover, the paper examines performance evaluation measures and approaches, highlighting the trade-offs among complexity, spectral efficiency, and error performance. The comparative analysis indicates the benefits, in terms of performance, of incorporating LDPC codes and improving system throughput and dependability. We examine four distinct receiver algorithms: zero-forcing (ZF), minimum mean square error (MMSE), maximum ratio combining (MRC), and equal gain combining (EGC). The study shows that MRC and EGC receivers work well in D-m MIMO because they make the receiver system less computationally demanding.

Gashtasbi, Ali↗
DOE OSTI2026

The Chicago Carnegie Hubble Program: Improving the Calibration of Type Ia Supernovae with JWST Measurements of the Tip of the Red Giant Branch

We present distances to 10 supernova (SN) host galaxies determined via the tip of the red giant branch using JWST/NIRCam and the F115W, F356W, and F444W bandpasses. The majority of the analysis was conducted on photometric catalogs that had their absolute zero-points randomized to mask information on distance. The new F115W TRGB distances, anchored by the geometric maser distance to NGC 4258, agree well with our previously derived Hubble Space Telescope (HST) TRGB distances, differing by only 1% on average and 4% on a per-galaxy basis. The color-corrected F115W TRGB is therefore equally precise a method of distance measurement as, and offers unique advantages over, its color-insensitive, I-band counterpart. We use these distances to update four published H 0 calibrations and evaluate how different SN analyses, both within and across independent groups, yield different H 0 values. For our JWST sample of 11 SNe, we find consistent values of H 0 ≃ 69 km s −1 Mpc −1 , with a dispersion of just 0.6 km s −1 Mpc −1 across the updated calibrations. When we expand the sample to 24 by combining with HST TRGB measurements, the results from different SN analyses begin to diverge, with the H 0 based on Pantheon+ and the Carnegie Supernova Project II (CSP-II), respectively, increasing by +2.0 km s −1 Mpc −1 (3.1σ significance) and +0.8 km s −1 Mpc −1 (1.4σ significance). More independent analyses of low-redshift SNe and JWST observations of the TRGB are needed to improve our understanding of systematics in distance ladder determinations of H 0 .

Hoyt, Taylor J. [Lawrence Berkeley National Labora↗
DOE OSTI2022

Photometric Recalibration of the SDSS Stripe 82 to a Few Millimagnitude Precision with the Stellar Color Regression Method and Gaia EDR3

By combining spectroscopic data from the LAMOST DR7, Sloan Digital Sky Survey (SDSS) DR12, and corrected photometric data from the Gaia EDR3, we apply the stellar color regression (SCR) method to recalibrate the SDSS Stripe 82 standard stars catalog of Ivezic' et al. With a total number of about 30,000 spectroscopically targeted stars, we have mapped out the relatively large and strongly correlated photometric zero-point errors present in the catalog, ~2.5% in the u band and ~1% in the griz bands. Our study also confirms some small but significant magnitude dependence errors in the z band for some charge-coupled devices. Various tests show that we have achieved an internal precision of about 5 mmag in the u band and about 2 mmag in the griz bands, which is about five times better than previous results. We also apply the method to the latest version of the catalog (v4.2), and find modest systematic calibration errors of up to ~1% along the R.A. direction and smaller errors along the decl. direction. The results demonstrate the power of the SCR method when combining spectroscopic data and Gaia photometry in breaking the 1% precision barrier of ground-based photometric surveys. Our work paves the way for the recalibration of the whole SDSS photometric survey and has important implications for the calibration of future surveys. Future implementations and improvements of the SCR method under different situations are also discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Radial oscillations of viscous neutron stars: Zero diffusion case

In this article, the spectrum of radial oscillations of neutron stars is systematically studied within two frameworks of viscous relativistic hydrodynamics: the relativistic Navier-Stokes and Israel-Stewart theories. A correspondence is established between the discrete stellar eigenmodes and the continuous dispersion relation of perturbations around a homogeneous fluid, providing a basis for interpreting our numerical results. We analyze the Newtonian limit and assess the impact of relativistic corrections, such as the gravitational redshifting of microscopic relaxation timescales. We show that bulk viscosity can significantly affect the behavior of both hydrodynamic and nonhydrodynamic fundamental modes, and that, depending on the magnitude of the viscous effects, it is the nonhydrodynamic mode that becomes unstable beyond the turning point in a sequence of equilibrium configurations. These results provide a useful step toward systematic studies of neutron star quasinormal modes in the presence of viscosity.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Projector‐Based Quantum Embedding Study of Iron Complexes

Projection‐based embedding theory (PBET) is used to calculate and assess the challenging spin‐crossover energies for a selection of small Fe‐containing systems by embedding the metal center into the frozen potential of the ligands. MP2, CCSD, and CCSD(T) are embedded in potentials from the SCAN and r 2 SCAN functionals and compared with the canonical values for the constituent methods and previously reported reference values. Considering the PBET calculations as a correction for the underlying DFT, the embedding calculations are able to provided improvement for most cases. In some cases, the PBET methods are able to compensate for limitations in the wave function methods and produce results similar to more rigorous calculations from the literature. For the systems with spin‐crossover energies near zero, the current methodology fails to provide consistent improvement. In conclusion, the isolated recalculation of the electronic structure around the metal center when embedded into a DFT treatment of the ligand field shows promise as a pragmatic and lower cost treatment compared to the canonical treatment of the whole system of the difficult class of spin‐crossover complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Enhanced diffusion bonding of alloy 617 using electric field-assisted sintering

The development of compact heat exchangers (CHXs) has gained increasing interest in many industries owing to their high thermal efficiency and reduced size. Diffusion bonding (DB) is an advantageous technique for fabricating CHXs. Alloy 617 is a candidate for manufacturing CHXs for high-temperature advanced nuclear reactors due to its elevated-temperature properties. Previous endeavors in DB of Alloy 617 were conducted by hot pressing (HP), which reported precipitates at the diffusion-bond interface, limited grain boundary (GB) migration, and significantly reduced high-temperature mechanical properties. To overcome these challenges, this study investigated DB of Alloy 617 using electric field-assisted sintering (EFAS). Stacks composed of three sheets were bonded with EFAS using different temperatures, pressures, and hold times. DB using HP as the zero-current analog of EFAS was also performed for comparison. The result shows that Cr- and Mo-rich precipitates were formed at the interface of the hot-pressed samples. The electric current and temperature in EFAS play a significant role in precipitation and GB migration. The electric current coupled with correct temperatures can effectively prevent precipitate formation at the interface and achieve excellent GB migration. Nanoscale Al-rich oxide was formed at the interface of the samples made by both HP and EFAS, but grain boundaries can ignore the nanoscale Al-oxide and migrate across the interface. The temperature, pressure, and hold time also affected diffusion. The temperature is a prerequisite for a successful GB migration, and GB migration can be enhanced by increasing pressure and hold time.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Finite-temperature many-body perturbation theory in the canonical ensemble

Benchmark data are presented for the zeroth- through third-order many-body perturbation corrections to the electronic Helmholtz energy, internal energy, and entropy in the canonical ensemble in a wide range of temperature. They are determined as numerical λ-derivatives of the respective quantities computed by thermal full configuration interaction with a perturbation-scaled Hamiltonian, $\hat{H} = \hat{H}_0 + λ\hat{V}$. Sum-over-states analytical formulas for up to the third-order corrections to these properties are also derived as analytical λ-derivatives. These formulas, which are verified by exact numerical agreement with the benchmark data, are given in terms of the Hirschfelder–Certain degenerate perturbation energies and should be valid for both degenerate and nondegenerate reference states at any temperature down to zero. Further, the results in the canonical ensemble are compared with the same in the grand canonical ensemble.

74 ATOMIC AND MOLECULAR PHYSICS↗