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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 19 records

Enabling URR Self Shielding Functionality in SAMMY [Slides]

This lecture is on enabling Unresolved Resonance Energy Range (URR) self-shielding functionality in SAMMY. This presentation covers Fiscal Year 2022 milestones, and motivations driving this endeavor. This presentation includes slides depicting the current self-shielding correction workflow. Additionally, this presentation includes a look into the doppler broadening issue and the verification of capture. This lecture concludes with envisioned future work.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Expanded method for the determination of burnup in nuclear fuels using multiple neodymium isotopes

Established methods for the determination of burnup in nuclear fuels commonly rely on the measurement of 148Nd in the spent fuel in concert with known fission product yields to determine the atom percent of fissions in the fuel. This isotope of neodymium is used for various reasons, including chemical and radioactive stability, ease of measurement, and low rates of formation and destruction due to neutron flux apart from fission. However, careful calculation of effective cumulative fission yields and correction factors for (n,γ) capture reactions allows for additional stable and long-lived isotopes of neodymium to be used to provide additional independent measurements of burnup, reducing statistical uncertainty. This method was developed and successfully applied to measure the burnup of compacts from the Advanced Gas Reactor (AGR) Fuel Development and Qualification Program. The mean burnup measured using 143Nd, 145Nd, 146Nd, 148Nd, and 150Nd was statistically observed to be the same as that measured using 148Nd alone, but the statistical uncertainty in the measurement was reduced by a factor of 2, providing a tighter confidence interval in the final results.

Helmreich, Grant [ORNL] (ORCID:0000000330464394)↗

Electronic Coherences in Molecules: The Projected Nuclear Quantum Momentum as a Hidden Agent

Electronic coherences are key to understanding and controlling photoinduced molecular transformations. Here, we identify a crucial quantum-mechanical feature of electron-nuclear correlation, the projected nuclear quantum momenta, essential to capture the correct coherence behavior. For simulations, we show that, unlike traditional trajectory-based schemes, exact-factorization-based methods approximate these correlation terms and correctly capture electronic coherences in a range of situations, including their spatial dependence, an important aspect that influences subsequent electron dynamics and that is becoming accessible in more experiments.

74 ATOMIC AND MOLECULAR PHYSICS↗

Intrinsic kinetics of water-inhibited ultra-lean methane oxidation over PtPd-Mg/ θ -Al 2 O 3 catalyst

Here, this study develops intrinsic methane oxidation kinetics for ultra-lean methane conditions in the presence of water over a highly active and stable PtPd–Mg/θ-Al 2 O 3 catalyst. Comprehensive laboratory experiments were conducted over a wide range of methane concentrations (150–1200 ppm CH 4 ), water contents (1–5% H 2 O), and industrially relevant space velocities (80,000 ≤ GHSV ≤ 160,000 h -1 ). These systematic experiments informed a two-dimensional, axisymmetric, multiscale reactor model that was used to develop and validate methane oxidation kinetics under practically relevant conditions, including non-isothermal operation and high conversion regimes. Combined experimental and modeling results revealed significant intraparticle diffusion resistance and transport-induced reaction exotherm at elevated temperatures, which limited catalyst utilization despite high intrinsic activity. These transport effects were explicitly incorporated into the reactor model, enabling accurate estimation of intrinsic kinetic parameters without reliance on conventional effectiveness-factor corrections. The resulting kinetic model successfully captured both kinetically controlled and mass-transfer-limited regimes and reliably predicted CH 4 conversion across broad ranges of temperature, methane concentration, and water content

Heat and mass transfer limitations↗

Improved heavy-ion PID using scintillation light detector with neural network analysis: a Monte Carlo simulation study

The photon collection efficiency of gaseous scintillator detectors varies according to the position of the impinging charged particles in the medium that generates scintillation light. Thus, when impinging particles are distributed over a large area, the intrinsic photon-number resolution of the system is affected by a large variation. This work presents and discusses a method for adjusting the total number of detected photons to account for variation in the photon collection efficiency as a function of the position of the light source within the scintillating medium. The method was developed and validated by processing data from systematic simulation studies based on GEANT4 that model the response of the Energy Loss Optical Scintillation System (ELOSS) detector. The position of the charged particle is calculated using a deep neural network algorithm. This is accomplished by analyzing the distribution of scintillation light recorded by the array of photosensors. The estimated particle position is then used to calculate the correction factor and adjust the amount of captured light to account for variations in the photon collection efficiency. The neural network algorithm provides excellent tracking capabilities, achieving sub-millimeter position resolution and an angular resolution of 12 mrad, approaching the performance of traditional tracking detectors (e.g., drift chambers). The present method can be generalized to any optical scintillation system where the photon collection efficiency depends on the position of the impinging particle.

Heavy-ion detectors↗

Renormalization group analysis of electromagnetic properties of the deuteron

The role of radiative corrections in low-energy nuclear physics is beginning to receive more scrutiny. We examine the impact of these corrections for the deuteron charge form factor and the radiative capture process np→dγ through the velocity renormalization group. In both cases, we find percent-level shifts in the relevant observables after evolving the subtraction velocity to the typical velocity of nucleons in the bound state. This suggests that electromagnetic corrections constitute a non-negligible source of uncertainty in existing few-body calculations.

Richardson, Thomas R↗

Microstructure Modeling of Third Generation Disk Alloys

The objective of this program was to model, validate, and predict the precipitation microstructure evolution, using PrecipiCalc (QuesTek Innovations LLC) software, for 3rd generation Ni-based gas turbine disc superalloys during processing and service, with a set of logical and consistent experiments and characterizations. Furthermore, within this program, the originally research-oriented microstructure simulation tool was to be further improved and implemented to be a useful and user-friendly engineering tool. In this report, the key accomplishments achieved during the third year (2009) of the program are summarized. The activities of this year included: Further development of multistep precipitation simulation framework for gamma prime microstructure evolution during heat treatment; Calibration and validation of gamma prime microstructure modeling with supersolvus heat treated LSHR; Modeling of the microstructure evolution of the minor phases, particularly carbides, during isothermal aging, representing the long term microstructure stability during thermal exposure; and the implementation of software tools. During the research and development efforts to extend the precipitation microstructure modeling and prediction capability in this 3-year program, we identified a hurdle, related to slow gamma prime coarsening rate, with no satisfactory scientific explanation currently available. It is desirable to raise this issue to the Ni-based superalloys research community, with hope that in future there will be a mechanistic understanding and physics-based treatment to overcome the hurdle. In the mean time, an empirical correction factor was developed in this modeling effort to capture the experimental observations.

Jou, Herng-Jeng↗

Multidimensional analysis of fast-spectrum material replacement measurements for systematic estimation of cross section uncertainties

A series of central core and core-reflector interface sample replacement experiments for 16 materials performed in the NASA heavy-metal-reflected, fast spectrum critical assembly (NCA) were analyzed in four and 13 groups using the GAM 2 cross-section set. The individual worths obtained by TDSN and DOT multidimensional transport theory calculations showed significant differences from the experimental results. These were attributed to cross-section uncertainties in the GAM 2 cross sections. Simultaneous analysis of the measured and calculated sample worths permitted separation of the worths into capture and scattering components which systematically provided fast spectrum averaged correction factors to the magnitudes of the GAM 2 absorption and scattering cross sections. Several Los Alamos clean critical assemblies containing Oy, Ta, and Mo as well as one of the NCA compositions were reanalyzed using the corrected cross sections. In all cases the eigenvalues were significantly improved and were recomputed to within 1 percent of the experimental eigenvalue. A comparable procedure may be used for ENDF cross sections when these are available.

Klann, P. G.↗

Isospin-breaking effects in the three-pion contribution to hadronic vacuum polarization

Isospin-breaking (IB) effects are required for an evaluation of hadronic vacuum polarization at subpercent precision. While the dominant contributions arise from the e + e - → π + π - channel, also IB in the subleading channels can become relevant for a detailed understanding, e.g., of the comparison to lattice QCD. Here, we provide such an analysis for e + e - → 3π by extending our dispersive description of the process, including estimates of final-state radiation (FSR) and ρ–ω mixing. In particular, we develop a formalism to capture the leading infrared-enhanced effects in terms of a correction factor η3π that generalizes the analog treatment of virtual and final-state photons in the 2π case. The global fit to the e+e- → 3π data base, subject to constraints from analyticity, unitarity, and the chiral anomaly, gives for the total 3π contribution to the anomalous magnetic moment of the muon, of which ${a}^{FSR}_\mu [3\pi]$ = 0.51(1) x 10 -10 and ${a}^{\rho - \omega}_\mu [3\pi]$ = -2.68(70) x 10 -10 can be ascribed to IB. We argue that the resulting cancellation with ρ–ω mixing in e + e - → 2π can be understood from a narrow-resonance picture, and provide updated values for the vacuum-polarization-subtracted vector-meson parameters M ω = 782.70(3) MeV, M Φ = 1019.21(2) MeV, Γ ω = 8.71(3) MeV, and Γ Φ = 4.27(1) MeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Radiative recombination of complex ions

The rates of radiative capture by atomic systems is computed for the first four ionization stages of the abundant elements C, N, O, Ne, Mg, Si, S, and Ar. A simple prescription is given for calculating the rates for systems in higher ionization stages. Results for capture to atomic helium are also given. In the general case, recent calculations of photoionization cross sections have been used to compute capture rates to levels of the ground-state configuration of the recombined species. Captures to other levels of the valence shell and to the higher shells are evaluated using hydrogenic formulae but with a correction factor which takes into account the nonhydrogenic nature of these states. This correction factor is due to the incomplete shielding by the inner electrons and represents essentially an effective charge for the recombining ion; it is determined semiempirically from an appropriate weighting of values derived from the observed level structure for each species. In some cases, for the capture to neutral atomic systems, its application increases the resulting computed recombination rate by a significant amount (about 50%). Computed recombination rates are tabulated for the four ionization stages at an electron temperature of 10,000 K and for the first stage at 100 K. A convenient procedure is outlined for evaluating the rates at other temperatures in the general neighborhood of these values.

Gould, R. J.↗

A Novel Non-Intrusive Method to Resolve the Thermal-Dome-Effect of Pyranometers: Radiometric Calibration and Implications

Traditionally the calibration equation for pyranometers assumes that the measured solar irradiance is solely proportional to the thermopile's output voltage; therefore only a single calibration factor is derived. This causes additional measurement uncertainties because it does not capture sufficient information to correctly account for a pyranometer's thermal effect. In our updated calibration equation, temperatures from the pyranometer's dome and case are incorporated to describe the instrument's thermal behavior, and a new set of calibration constants are determined, thereby reducing measurement uncertainties. In this paper, we demonstrate why a pyranometer's uncertainty using the traditional calibration equation is always larger than a-few-percent, but with the new approach can become much less than 1% after the thermal issue is resolved. The highlighted calibration results are based on NIST-traceable light sources under controlled laboratory conditions. The significance of the new approach lends itself to not only avoiding the uncertainty caused by a pyranometer's thermal effect but also the opportunity to better isolate and characterize other instrumental artifacts, such as angular response and non-linearity of the thermopile, to further reduce additional uncertainties. We also discuss some of the implications, including an example of how the thermal issue can potentially impact climate studies by evaluating aerosol's direct-radiative effect using field measurements with and without considering the pyranometer's thermal effect. The results of radiative transfer model simulation show that a pyranometer's thermal effect on solar irradiance measurements at the surface can be translated into a significant alteration of the calculated distribution of solar energy inside the column atmosphere.

Ji, Qiang↗

A Novel Nonintrusive Method to Resolve the Thermal Dome Effect of Pyranometers: Radiometric Calibration and Implications

Traditionally the calibration equation for pyranometers assumes that the measured solar irradiance is solely proportional to the thermopile s output voltage; therefore, only a single calibration factor is derived. This causes additional measurement uncertainties because it does not capture sufficient information to correctly account for a pyranometer s thermal effect. In our updated calibration equation, temperatures from the pyranometer's dome and case are incorporated to describe the instrument's thermal behavior, and a new set of calibration constants are determined, thereby reducing measurement uncertainties. In this paper, we demonstrate why a pyranometer's uncertainty using the traditional calibration equation is always larger than a few percent, but with the new approach can become much less than 1% after the thermal issue is resolved. The highlighted calibration results are based on NIST traceable light sources under controlled laboratory conditions. The significance of the new approach lends itself to not only avoiding the uncertainty caused by a pyranometer's thermal effect but also the opportunity to better isolate and characterize other instrumental artifacts, such as angular response and nonlinearity of the thermopile, to further reduce additional uncertainties. We also discuss some of the implications, including an example of how the thermal issue can potentially impact climate studies by evaluating aerosol s direct radiative effect using field measurements with and without considering the pyranometer s thermal effect. The results of radiative transfer model simulation show that a pyranometer s thermal effect on solar irradiance measurements at the surface can be translated into a significant alteration of the calculated distribution of solar energy inside the column atmosphere.

Ji. Q.↗

Wall-modeled LES of the Three-dimensional Speed Bump Experiment

We evaluate the performance of wall-modeled large eddy simulation (WMLES) in predicting smooth-body turbulent flow separation for a three-dimensional Gaussian-shaped speed bump geometry. The Reynolds number based on the bump length is 2 million, and an unstructured compressible finite-volume solver is used with an equilibrium wall model and dynamic subgrid scale model. Spanwise periodic simulations of the centerline two-dimensional bump were used to assess grid resolution requirements, and resolving the thin internal layer in the accelerating region was found to be necessary to correctly capture the downstream separated flow region. Based on these insights, an optimized grid that was smaller by a factor of two provided comparable accuracy to a finer grid that has been used by us and other researchers in past studies. Using insights gained from the spanwise periodic simulation, an unstructured polyhderal grid with about 250 million cells was used for the three-dimensional (3D) configuration with inviscid tunnel side and top walls. Detailed comparisons of wall skin-friction coefficient, wall pressure, velocity and turbulent stresses with available experimental data indicated excellent agreement. While the low-Reynolds Number Spalart-Allmaras RANS model with rotation/curvature correction gave qualitatively good agreement with experiments, WMLES showed significantly more accurate quantitative predictions of the flowfield. The 3D WMLES showed good agreement with experiments in the separated region, and the centerplane results indicated a different separation topology compared to the spanwise periodic simulation.

Computational Fluid Dynamics↗

2004 Kansas City Regional Household Travel Survey

The 2004 Regional Household Travel Survey documented the travel behavior characteristics of Kansas City residents to update the area's transportation model. The Mid-America Regional Council and the Kansas and Missouri Departments of Transportation sponsored the survey, which was administered by NuStats. Activity and travel information was collected for all household members, regardless of age, during a specific 24-hour period. It relied on the willingness of households to provide demographic information about its members and vehicles and to have all household members record all travel and activity for a specific 24-hour period. The study also included a subsample of household vehicles with global positioning system (GPS) devices. The objectives of the GPS component were twofold: (1) to provide an independent data stream of vehicular travel in order to measure the accuracy of the travel data reported over the telephone, and (2) to obtain details about those trips that were captured by GPS but not reported over the telephone, in order to derive a trip-correction factor.

1Hz data↗

Integrated Strategies for Overcoming Resolution Limits in Electron Beam Lithography of Chemically Amplified Resists

Electron beam lithography (EBL) of chemically amplified resists (CARs) faces fundamental challenges, including stochastic electron scattering and acid diffusion, that limit resolution and reproducibility. Using SU-8 as a model CAR, this study systematically investigated complementary strategies to address these challenges, combining multipass exposure, proximity effect correction (PEC) with midrange correction factors, base quencher incorporation, and post-exposure bake (PEB) suppression. Monte Carlo simulations and calibrated PEC modeling revealed that extending the point spread function to include a midrange scattering component significantly improved critical dimension (CD) control across varying pattern densities, correcting deviations that conventional two-term PEC failed to capture. Multipass exposure, particularly 4-pass writing with a 25% offset, redistributed the dose to average stochastic beam and scattering fluctuations, reducing line-width roughness by more than 50% and yielding more uniform nanoscale features. Photoacid confinement was investigated by adding urea as a base quencher, which successfully reduced acid diffusion but introduced substantial sensitivity penalties without improving ultimate resolution or Z-factor performance, underscoring the trade-offs of chemical versus physical confinement. Suppressing PEB most directly minimized acid diffusion, resulting in improved Z-factors and reproducible 30 nm half-pitch dense line/space patterns. Overall, these results demonstrated that PEC with midrange correction, multipass strategies, quencher additives, and PEB-free processing addresses different aspects of the EBL process window and that their integration provides a comprehensive framework for managing stochastic scattering, diffusion, and chemical amplification effects. This framework advances dense nanoscale patterning in CARs and establishes guiding principles for optimizing resist design and process strategies in high-resolution EBL and potentially other advanced lithographies, such as extreme ultraviolet (EUV) lithography.

36 MATERIALS SCIENCE↗

Nucleon axial-vector form factor and radius from radiatively corrected antineutrino scattering data

The nucleon axial-vector form factor, 𝐺 𝐴 , is critical to determine the electroweak interactions of leptons with nucleons. Important examples of processes influenced by 𝐺 𝐴 are elastic (anti)neutrino-nucleon scattering and muon capture by the proton. Sparse experimental data results in a large uncertainty on the momentum dependence of 𝐺 𝐴 and has motivated the consideration of new experimental probes and first-principles lattice quantum chromodynamics (QCD) evaluations. The comparison of new and precise theoretical predictions for 𝐺 𝐴 with future experimental data necessitates the application of radiative corrections to experimentally observable processes. We apply these corrections in the extraction of 𝐺 𝐴 and the associated axial-vector radius from the recent MINERvA antineutrino-hydrogen data, compare the effects from radiative corrections to other uncertainties in neutrino scattering experiments, and discuss the comparison of lattice QCD evaluations to experimental measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A moment-conserving discontinuous Galerkin representation of the relativistic Maxwellian distribution

Kinetic simulations of relativistic gases and plasmas are critical for understanding diverse astrophysical and terrestrial systems, but the accurate construction of the relativistic Maxwellian, the Maxwell–Jüttner distribution, on a discrete simulation grid is challenging. Difficulties arise from the finite velocity bounds of the domain, which may not capture the entire distribution function, as well as errors introduced by projecting the function onto a discrete grid. Here, we present a novel scheme for iteratively correcting the moments of the projected distribution applicable to all grid-based discretizations of the relativistic kinetic equation. In addition, we describe how to compute the needed nonlinear quantities, such as Lorentz boost factors, in a discontinuous Galerkin scheme through a combination of numerical quadrature and weak operations. The resulting method accurately captures the distribution function and ensures that the moments match the desired values to machine precision.

astrophysical plasmas↗

An Algorithm for Statistical Audibility Prediction (SAP) of an Arbitrary Signal in the Presence of Noise

A method for predicting the audibility of an arbitrary time-varying noise (signal) in the presence of masking noise has been developed. The statistical audibility prediction (SAP) method relies on the specific loudness, or loudness perceived through the individual auditory filters, for accurate statistical estimation of audibility vs. time. More recent development has focused on derivation and inclusion of frequency-dependent correction factors in SAP’s model to account for the ability to hear signals below the level of the masking noise. Audibility prediction vs. time is intuitive since it captures changes in audibility with time as it occurs, which is critical for the study of human response to noise. Concurrently time-frequency prediction of audibility may also provide valuable information about the root cause(s) for audibility useful for the design and operation of sources of noise. Empirical data, gathered under a three-alternative forced-choice (3AFC) test paradigm for low-frequency sound, has been used to examine the accuracy of SAP.

audibility↗