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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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155 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Boundary-consistent B-spline filtering schemes and application to high-fidelity simulations of turbulence

A filtering operation, based on B-spline discretizations, is introduced to target weakly growing mesh-scale oscillations that can arise in high-fidelity turbulence simulations. This is a spectral regularization that can be described using the singular values of a banded matrix operator, with the filtering strength set by a scalar- or vector-valued penalty parameter. The penalty parameter can be specified though it can also be advantageously selected to minimize the generalized cross validation (GCV) measure of distance between the pre- and post-filtered solutions. Efficient algorithms are developed to compute both the scalar and vector penalty parameters. The B-spline filter has a sharper localization to high-wavenumber than compact or explicit filters of the same stencil width and is demonstrated for solutions of the Burgers' equation, decaying Burgers' turbulence, and compressible Navier–Stokes turbulent channel flow. Furthermore, these simulations confirm the scheme's numerical stability and ability to narrowly target the high wavenumber components of numerical solutions. An advantage over finite-difference filters is that these B-spline filters are stable on bounded domains and even preserve formal order of accuracy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

New Physics from the Neutrino Portal: Early Universe Implications and Detection Prospects

Despite their ubiquity, the nature of Dark Matter (DM) and neutrinos remains mysterious. Both are examples of particles which are neutral, stable, and require physics beyond the Standard Model (SM) of particle physics. It is therefore natural to investigate theories which relate them. If DM has more than gravitational interactions, it must not couple very sizably to the Standard Mode (SM) in order to have escaped detection so far. The nature of this coupling (or “portal”) is of paramount importance in determining the optimal experimental search strategies. This proposal aims to focus on the implications of “Hidden Sector” models of new physics where the dominant interaction is from the neutrino-mixing portal. Such scenarios give rise to new neutrino self-interactions and DM-neutrino interactions with a variety of consequences. By undertaking the thorough study of neutrino portal (NP) theories of DM this proposal seeks to achieve the following specific objectives: (1) Expand and deepen the theoretical foundations of self-interacting neutrinos in the early universe with application to sterile neutrino DM, (2) establish theoretical and phenomenological bases for DM-modified neutrino oscillations, (3) establish sensitivity projections for neutrino self-interactions from future IceCube data. The proposed research will intellectually contribute to the physics literature by thoroughly characterizing the consequences of “hidden sector” models incorporating DM and neutrinos. Theoretical consistency and a complete description of their impact on the early universe will constitute one component of this work. As a result of the additional structure in the neutrino sector the detectability of various aspects of neutrino physics will be impacted. This includes modifications to oscillation experiments, ultra-high-energy neutrino telescopes (e.g. IceCube, KM3NET), and Cosmic Microwave Background data. The success of this research proposal will depend on the successful integration of these complementary probes of new physics in the proper context of theoretically motivated scenarios determined from their impact on the early universe.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Improving the precision of forces in real-space pseudopotential density functional theory

The high-order finite difference real-space pseudopotential density functional theory (DFT) approach is a valuable method for large-scale, massively parallel DFT calculations. A significant challenge in the approach is the oscillating “egg-box” error introduced by aliasing associated with a coarse grid spacing. To address this issue while minimizing computational cost, we developed a finite difference interpolation (FDI) scheme [Roller et al., J. Chem. Theory Comput. 19, 3889 (2023)] as a means of exploiting the high resolution of the pseudopotential to reduce egg-box effects systematically. Here, we show an implementation of this method in the PARSEC code and examine the practical utility of the combination of FDI with additional methods for improving force precision and/or reducing its computational cost, including orbital-based forces, compensating charges (namely, adding and subtracting a judiciously chosen charge density such that the total density is unaltered), and a modified spatial domain in which the real-space grid is defined. Using selected small molecules, as well as metallic Li, as test cases, we show that a combination of all four aspects leads to a significant reduction in computational cost while retaining a high level of precision that supports accurate structures and vibrational spectra, as well as stable and accurate molecular dynamics runs.

Chemistry↗
DOE OSTI2024

Additive manufacturing of AISI M2 tool steel by binder jetting (BJ): Investigation of microstructural and mechanical properties

The presented research demonstrates for the first time the successful processing of AISI M2 tool steel by binder jetting, a promising additive manufacturing technique capable of producing complex shapes with minimal residual stresses and isotropic properties. The optimal printing parameters were explored by varying processing parameters such as the binder saturation (45 %–105 %), binder set time (0 to 10 s), targeted bed temperature (50–60 °C), oscillator (2600–2750 rpm), recoater (20–28 mm/s), and roller speeds (200–300 rpm). Microstructural characterization and evaluation of mechanical properties of binder jetted parts were performed using x-ray diffraction (XRD), scanning electron microscopy (SEM), and energy dispersive spectroscopy (EDS) to study their chemical composition, powder morphology, microstructure, carbide morphologies, relative density, hardness, compressive strength, and ductility. Two powder sizes (5 and 10 μm) were used, and sintering was performed at varying temperatures (1270, 1280, and 1300 °C) and durations (60 and 120 min), followed by a furnace, air, and water cooling. An optimum hardness of ~970 HV was obtained when parts were sintered at 1270 °C for 60 min, followed by water quenching. Impressive compressive strength of ~ 3580 MPa was observed in the sample sintered at 1280 °C for 60 min duration, followed by air cooling. Furnace-cooled parts showed the highest density of ~95 %, whereas the relative density of air- and water-cooled parts varied between ~91 to 93.50 %, respectively. The microstructure of sintered samples revealed the formation of M 6 C stable carbide, M 2 C metastable carbide, MC as a secondary carbide, and a-Fe matrix, which contributed to the observed increase in mechanical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Early Holocene cold snaps and their expression in the moraine record of the eastern European Alps

Glaciers preserve climate variations in their geological and geomorphological records, which makes them prime candidates for climate reconstructions. Investigating the glacier–climate system over the past millennia is particularly relevant first because the amplitude and frequency of natural climate variability during the Holocene provides the climatic context against which modern, human-induced climate change must be assessed. Second, the transition from the last glacial to the current interglacial promises important insights into the climate system during warming, which is of particular interest with respect to ongoing climate change. Evidence of stable ice margin positions that record cooling during the past 12 kyr are preserved in two glaciated valleys of the Silvretta Massif in the eastern European Alps, the Jamtal (JAM) and the Laraintal (LAR). We mapped and dated moraines in these catchments including historical ridges using beryllium-10 surface exposure dating (10Be SED) techniques and correlate resulting moraine formation intervals with climate proxy records to evaluate the spatial and temporal scale of these cold phases. The new geochronologies indicate the formation of moraines during the early Holocene (EH), ca. 11.0 ± 0.7 ka (n = 19). Boulder ages along historical moraines (n = 6) suggest at least two glacier advances during the Little Ice Age (LIA; ca. 1250–1850 CE) around 1300 CE and in the second half of the 18th century. An earlier advance to the same position may have occurred around 500 CE. The Jamtal and Laraintal moraine chronologies provide evidence that millennial-scale EH warming was superimposed by centennial-scale cooling. The timing of EH moraine formation coincides with brief temperature drops identified in local and regional paleoproxy records, most prominently with the Preboreal Oscillation (PBO) and is consistent with moraine deposition in other catchments in the European Alps and in the Arctic region. This consistency points to cooling beyond the local scale and therefore a regional or even hemispheric climate driver. Freshwater input sourced from the Laurentide Ice Sheet (LIS), which changed circulation patterns in the North Atlantic, is a plausible explanation for EH cooling and moraine formation in the Nordic region and in Europe.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Studies on the scintillation light detection in the ProtoDUNE Dual Phase liquid-argon TPC and its capability for the supernova trigger in DUNE

The Deep Underground Neutrino Experiment (DUNE) is a long-baseline neutrino oscillation experiment that aims at addressing key questions in neutrino physics in the next decades. Its scientific program includes the detection of the neutrino flux from a core-collapse supernova. The DUNE far detector will have four 17-kt mass liquid-argon (LAr) time-projection chamber (TPC) modules. ProtoDUNE Dual Phase (DP), a dual-phase LAr TPC with 300 t of active mass and 6 m of drift distance, was operated with cosmic muons in 2019-2020 as part of an R&D program at the CERN Neutrino Platform to demonstrate the feasibility of the technology at such a large scale. In a LAr TPC, the photon detection system (PDS) provides fundamental timing information and trigger capabilities. The PDS of ProtoDUNE-DP, which consisted of 36 photomultiplier tubes (PMTs), counted on a dedicated light calibration system (LCS) to monitor the PMT response. In this dissertation, the characterization and validation of the ProtoDUNE-DP PDS and LCS components before their installation will be reviewed, highlighting the results of general interest for experiments that use liquid noble gasses as target medium. The results from the stable performance of both systems in the detector during 15 months will be presented next as well as the studies on the scintillation light detection in ProtoDUNE-DP, where the collection of light produced in LAr at 7 m from the photosensors has been achieved for the first time. It is worth pointing out that the excellent LAr purity and the large size of the detector have enabled to develop a unique data-driven investigation on aspects that are critical for LAr-based experiments but that are not completely understood. The analyses cover the characterization of the low-energy background detected by the PDS, the quantification of the electric field impact on the light yield, the evaluation of the Rayleigh scattering affecting the light propagation, and the analysis of the PMT detection efficiency. The effect of the VUV reflectivity of the detector materials will be also discussed. In addition, the estimation of the cosmic muon flux crossing the TPC and the study of the observed light yield by the PDS will be reported. Finally, the results from the simulation-based study of the supernova burst trigger capability with the PDS of a 12.1-kt active mass dual-phase LAr TPC as the one proposed for DUNE will be summarized. Several configurations of reflective foils installed in the TPC to enhance the light collection will be compared.

Gallego Ros, Ana↗
DOE OSTI2021

Studies on the scintillation light detection in the ProtoDUNE Dual Phase liquid-argon TPC and its capability for the supernova trigger in DUNE

The Deep Underground Neutrino Experiment (DUNE) is a long-baseline neutrino oscillation experiment that aims at addressing key questions in neutrino physics in the next decades. Its scientific program includes the detection of the neutrino flux from a core-collapse supernova. The DUNE far detector will have four 17-kt mass liquid-argon (LAr) time-projection chamber (TPC) modules. ProtoDUNE Dual Phase (DP), a dual-phase LAr TPC with 300 t of active mass and 6 m of drift distance, was operated with cosmic muons in 2019-2020 as part of an R&D program at the CERN Neutrino Platform to demonstrate the feasibility of the technology at such a large scale. In a LAr TPC, the photon detection system (PDS) provides fun- damental timing information and trigger capabilities. The PDS of ProtoDUNE-DP, which consisted of 36 photomultiplier tubes (PMTs), counted on a dedicated light calibration system (LCS) to monitor the PMT response. In this dissertation, the characterization and validation of the ProtoDUNE-DP PDS and LCS components before their installation will be reviewed, highlighting the results of general interest for experiments that use liquid noble gasses as target medium. The results from the stable performance of both systems in the detector during 15 months will be presented next as well as the studies on the scintillation light detection in ProtoDUNE-DP, where the collection of light produced in LAr at 7 m from the photosensors has been achieved for the first time. It is worth pointing out that the excellent LAr purity and the large size of the detector have enabled to develop a unique data-driven investigation on aspects that are critical for LAr- based experiments but that are not completely understood. The analyses cover the characterization of the low-energy background detected by the PDS, the quantification of the electric field impact on the light yield, the evaluation of the Rayleigh scattering affecting the light propagation, and the analysis of the PMT detection efficiency. The effect of the VUV reflectivity of the detector materials will be also discussed. In addition, the estimation of the cosmic muon flux crossing the TPC and the study of the observed light yield by the PDS will be reported. Finally, the results from the simulation-based study of the supernova burst trigger capability with the PDS of a 12.1-kt active mass dual-phase LAr TPC as the one proposed for DUNE will be summarized. Several configurations of reflective foils installed in the TPC to enhance the light collection will be compared

Gallego-Ros, Ana↗
DOE OSTI2022

Modulation of North Atlantic Polar Low Activity and Associated Flow Patterns by Sudden Stratospheric Warmings

Abstract Polar lows (PLs) are intense maritime mesoscale cyclones that can pose hazards to coastal communities and marine operation in the Arctic. This study examines the impacts of sudden stratospheric warmings (SSWs) on PL activity in the subarctic North Atlantic. The 20 days following SSWs are characterized by tropospheric circulation anomalies resembling the negative phase of the North Atlantic Oscillation. PL activity decreases significantly over the Labrador Sea, which can be attributed to the infrequent occurrence of low static stability and strong environmental baroclinicity, as well as reduced surface turbulent heat fluxes. These results suggest that a skillful prediction of SSWs can improve the extended-range forecast of PL activity over the Labrador Sea. For the Nordic seas, the results imply that the spatial structure of an SSW event is important for the PL modulation through different tropospheric circulation patterns. Situations with increased PL frequency in the Nordic seas are characterized by SSWs centered close to northern Greenland occurring over a smaller area, and a tropospheric response featuring enhanced cold-air outbreaks over the Norwegian Sea. Conversely, PL activity is suppressed over the Nordic seas when the SSW favors the formation of a tropospheric anticyclone above Greenland and Scandinavia. Significance Statement This study investigates the relationships between polar lows (PLs) and sudden stratospheric warmings (SSWs) over the subarctic North Atlantic. A better understanding of the effect of SSWs on PL development has the potential to improve extended-range forecasts of PLs. It is shown that SSWs are responsible for the significantly suppressed regional PL activity over the Labrador Sea, suggesting that SSWs can serve as a predictor for the extended-range forecast of PLs over this region. Following SSW events, the thermodynamic state of atmosphere becomes more stable over the Labrador Sea and hinders the convective development of PLs. For the northern Nordic seas, the impacts of SSWs on PL activity are sensitive to the spatial structure of stratospheric warming.

Chang, Chuan-Chieh↗
DOE OSTI2023

Coastal Sea Level Observations Record the Twentieth-Century Enhancement of Decadal Climate Variability

Changes in the amplitude of decadal climate variability over the twentieth century have been noted, with most evidence derived from tropical Pacific sea surface temperature records. However, the length, spatial coverage, and stability of most instrumental records are insufficient to robustly identify such nonstationarity, or resolve its global spatial structure. Here, it is found that the long-term, stable, observing platform provided by tide gauges reveals a dramatic increase in the amplitude and spatial coherence of decadal (11–14-yr period) coastal sea level (ζ) variability between 1960 and 2000. During this epoch, western North American ζ was approximately out of phase with ζ in Sydney, Australia, and led northeastern U.S. ζ by approximately 1–2 years. The amplitude and timing of changes in decadal ζ variability in these regions are consistent with changes in atmospheric variability. Specifically, central equatorial Pacific wind stress and Labrador Sea heat flux are highly coherent and exhibit contemporaneous, order-of-magnitude increases in decadal power. These statistical relationships have a mechanistic underpinning: Along the western North American coastline, equatorial winds are known to drive rapidly propagating ζ signals along equatorial and coastal waveguides, while a 1–2-yr lag between Labrador Sea heat fluxes and northeastern United States ζ is consistent with a remotely forced, buoyancy-driven, mechanism. Tide gauges thus provide strong independent support for an increase in interbasin coherence on decadal time scales over the second half of the twentieth century, with implications for both the interpretation and prediction of climate and sea level variability.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

A generalized class of strongly stable and dimension-free T-RPMD integrators

Here, recent work shows that strong stability and dimensionality freedom are essential for robust numerical integration of thermostatted ringpolymer molecular dynamics (T-RPMD) and path-integral molecular dynamics, without which standard integrators exhibit non-ergodicity and other pathologies [R. Korol et al., J. Chem. Phys. 151, 124103 (2019) and R. Korol et al., J. Chem. Phys. 152, 104102 (2020)]. In particular, the BCOCB scheme, obtained via Cayley modification of the standard BAOAB scheme, features a simple reparametrization of the free ring-polymer sub-step that confers strong stability and dimensionality freedom and has been shown to yield excellent numerical accuracy in condensed-phase systems with large time steps. Here, we introduce a broader class of T-RPMD numerical integrators that exhibit strong stability and dimensionality freedom, irrespective of the Ornstein–Uhlenbeck friction schedule. In addition to considering equilibrium accuracy and time step stability as in previous work, we evaluate the integrators on the basis of their rates of convergence to equilibrium and their efficiency at evaluating equilibrium expectation values. Within the generalized class, we find BCOCB to be superior with respect to accuracy and efficiency for various configuration-dependent observables, although other integrators within the generalized class perform better for velocity-dependent quantities. Extensive numerical evidence indicates that the stated performance guarantees hold for the strongly anharmonic case of liquid water. Both analytical and numerical results indicate that BCOCB excels over other known integrators in terms of accuracy, efficiency, and stability with respect to time step for practical applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Extended dark energy analysis using DESI DR2 BAO measurements

We conduct an extended analysis of dark energy constraints, in support of the findings of the Dark Energy Spectroscopic Instrument (DESI) second data release cosmology key paper, including DESI data, Planck cosmic microwave background observations, and three different supernova compilations. Using a broad range of parametric and nonparametric methods, we explore the dark energy phenomenology and find consistent trends across all approaches, in good agreement with the 𝑤 0⁢ 𝑤 𝑎⁢ CDM (cold dark matter) key paper results. Even with the additional flexibility introduced by nonparametric approaches, such as binning and Gaussian processes, we find that extending Λ⁢ CDM to include a two-parameter 𝑤⁡(𝑧) is sufficient to capture the trends present in the data. Finally, we examine three dark energy classes with distinct dynamics, including quintessence scenarios satisfying 𝑤 ≥ −1, to explore what underlying physics can explain such deviations. The current data indicate a clear preference for models that feature a phantom crossing; although alternatives lacking this feature are disfavored, they cannot yet be ruled out. Our analysis confirms that the evidence for dynamical dark energy, particularly at low redshift (𝑧 ≲ 0.3), is robust and stable under different modeling choices.

79 ASTRONOMY AND ASTROPHYSICS↗