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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

It is not σ 8 : constraining the non-linear matter power spectrum with the Dark Energy Survey Year-5 supernova sample

The weak gravitational lensing magnification of Type Ia supernovae (SNe Ia) is sensitive to the matter power spectrum on scales $k\gt 1 h$ Mpc$^{-1}$, making it unwise to interpret SNe Ia lensing in terms of power on linear scales. We compute the probability density function of SNe Ia magnification as a function of standard cosmological parameters, plus an empirical parameter $A_{\rm mod}$ which describes the suppression or enhancement of matter power on non-linear scales compared to a cold dark matter only model. While baryons are expected to enhance power on the scales relevant to SN Ia lensing, other physics such as neutrino masses or non-standard dark matter may suppress power. Using the Dark Energy Survey Year-5 sample, we find $A_{\rm mod} = 0.77^{+0.69}_{-0.40}$ (68 per cent credible interval around the median). Although the median is consistent with unity there are hints of power suppression, with $A_{\rm mod} \lt 1.09$ at 68 per cent credibility.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

2D High‐Entropy Transition Metal Dichalcogenides for Carbon Dioxide Electrocatalysis

Abstract High‐entropy alloys combine multiple principal elements at a near equal fraction to form vast compositional spaces to achieve outstanding functionalities that are absent in alloys with one or two principal elements. Here, the prediction, synthesis, and multiscale characterization of 2D high‐entropy transition metal dichalcogenide (TMDC) alloys with four/five transition metals is reported. Of these, the electrochemical performance of a five‐component alloy with the highest configurational entropy, (MoWVNbTa)S 2 , is investigated for CO 2 conversion to CO, revealing an excellent current density of 0.51 A cm −2 and a turnover frequency of 58.3 s −1 at ≈ −0.8 V versus reversible hydrogen electrode. First‐principles calculations show that the superior CO 2 electroreduction is due to a multi‐site catalysis wherein the atomic‐scale disorder optimizes the rate‐limiting step of CO desorption by facilitating isolated transition metal edge sites with weak CO binding. 2D high‐entropy TMDC alloys provide a materials platform to design superior catalysts for many electrochemical systems.

Cavin, John↗
DOE OSTI2026

A variational mimetic finite difference method for elliptic interface problems on non-matching polytopal meshes with geometric interface inconsistencies

A new variational mimetic finite difference method for elliptic interface problems with perfect and imperfect thermal contacts on non-matching polytopal meshes with geometric interface inconsistencies is developed and analyzed theoretically and numerically. The method is defined on multiple non-matching submeshes with gaps and overlaps along their interfaces. The discrete equations are derived from a minimization problem for the augmented Dirichlet functional. For a perfect thermal contact, the functional uses a modified mimetic gradient with extended stencil which couples unknowns from both sides of an interface, as well as penalty terms to enforce weak continuity of temperature across the interface. The method leads to a symmetric positive definite matrix for any scaling of the penalty terms. For an imperfect thermal contact, the Dirichlet functional is supplemented with a quadratic jump term along the interface related to the interface thermal resistance. We prove that the method conserves the total heat flux across each interface. In conclusion, the obtained results are verified with numerical experiments showing convergence in the discrete L 2 and L ∞ norms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Solvation Structure of 237 Np 4+ in a Noncomplexing Environment

Here, the solvation structure of an Np 4+ ion in an aqueous, noncomplexing and nonoxidizing environment of trifluoromethanesulfonic (triflic) acid was investigated with X-ray absorption spectroscopy (XAS) combined with ab initio molecular dynamics (AIMD) and time-dependent density functional theory (TDDFT) calculations. Np L III -edge X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) data were collected for Np 4+ in 1, 3, and 7 M triflic acid using a laboratory-scale spectrometer and separately at a synchrotron facility, producing data sets in excellent agreement. TDDFT calculations revealed a weak pre-edge feature not previously reported for Np L III -edge XANES. AIMD modeling results showed differences in the hydration shell of the Np 4+ ion at different concentrations of triflic acid; these results are supported by the experiment. EXAFS fit models to the experiment resulted in similar coordination of Np 4+ in noncomplexing aqueous media as reported in the literature for 1 M perchloric acid but, together with calculations, revealed more than one distance between Np and O atoms in 7 M triflic acid. These results imply monodentate coordination with sulfonate groups in 7 M triflic acid and suggest the possibility of proto-neptunyl species in relatively low-concentration Np 4+ acid solutions.

Boglaienko, Daria V. [Pacific Northwest National L↗
DOE OSTI2023

Plasmonic Nonlinear Energy Transfer Enhanced Second Harmonic Generation Nanoscopy

Nonlinear optical response is a fingerprint of various physicochemical properties of materials related to symmetry, including crystallography, interfacial configuration, and carrier dynamics. However, the intrinsically weak nonlinear optical susceptibility and the diffraction limit of far-field optics restrict probing deep-subwavelength-scale nonlinear optics with measurable signal-to-noise ratio. Here, we propose an alternative approach toward efficient second harmonic generation (SHG) nanoscopy for SHG-active sample (zinc oxide nanowire; ZnO NW) using an SHG-active plasmonic nanotip. Our full-wave simulation suggests that the experimentally observed high near-field SHG contrast is possible when the nonlinear response of ZnO NW is enhanced and/or that of the tip is suppressed. Here, this result suggests possible evidence of quantum mechanical nonlinear energy transfer between the tip and the sample, modifying the nonlinear optical susceptibility. Further, this process probes the nanoscale corrosion of ZnO NW, demonstrating potential use in studying various physicochemical phenomena in nanoscale resolution.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Confinement and Processing Can Alter the Morphology and Periodicity of Bottlebrush Block Copolymers in Thin Films

Bottlebrush block copolymers (BBCPs) are intriguing architectural variations on linear BCPs with highly tunable structure. Confinement can have a significant impact on polymer assembly, giving rise to changes in morphology, assembly kinetics, and properties like the glass transition. Given that confinement leads to significant changes in the persistence length of bottlebrush homopolymers, it is reasonable to expect that BBCPs will see significant changes in their structure and periodicity relative to the bulk morphology. Understanding how confinement influences assembly will be important for designing BBCPs for thin film applications including membranes, integrated photonic structures, and potentially BCP lithography. In this work, in order to study the effects of confinement on BBCP conformation and morphology, a blade coating was used to prepare films with continuous variation in film thickness. Unlike thin films of linear BCPs, islands/holes were not observed, and instead mixtures of parallel and perpendicular morphologies emerge after annealing. The lamellar periodicity ($L_0$) of the morphologies is found to be thickness dependent, increasing $L_0$ with decreasing film thickness for blade coated films. Films coated out of tetrahydrofuran (THF) resulted in a single well-defined lamellar periodicity, verified through atomic force microscopy (AFM) and grazing incidence small-angle X-ray scattering (GISAXS), which increases dramatically from the bulk value (30.6 nm) and continues to increase as the film thickness decreases. The largest observed $L_0$ was 65.5 nm, and this closely approaches the estimated upper limit of 67 nm corresponding to a fully extended backbone in a bilayer arrangement. Films coated out of propylene glycol methyl ether acetate (PGMEA) resulted in a mixture of perpendicular lamellae and a smaller, likely cylindrical morphology. The lamellar portion of the film shows the same thickness dependence as the lamellae observed in the THF coated films. The scaling of the lamellar $L_0$ with respect to film thickness follows predictions for confined semiflexible polymers with weak excluded volume interactions and can be related to models for confinement of DNA. Spin coated films shows the same reduction in periodicity, although at very different film thicknesses. This result suggests that the material has shallow free-energy barriers to transitioning between different $L_0$ and morphologies, a property that could be taken advantage of for patterning diverse structures with a single material.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Large low background kTon-scale liquid argon time projection chambers

Here we find that it is possible to increase sensitivity to low energy physics in a third or fourth Deep Underground Neutrino Experiment (DUNE)-like module with careful controls over radiopurity and targeted modifications to a detector similar to the DUNE Far Detector design. In particular, sensitivity to supernova and solar neutrinos can be enhanced with improved MeV-scale reach. A neutrinoless double beta decay search with 136 Xe loading appears feasible. Furthermore, sensitivity to Weakly-Interacting Massive Particle (WIMP) Dark Matter becomes competitive with the planned world program in such a detector, offering a unique seasonal variation detection that is characteristic of the nature of WIMPs.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Ultralight dark matter detection with mechanical quantum sensors

Abstract We consider the use of quantum-limited mechanical force sensors to detect ultralight (sub-meV) dark matter (DM) candidates which are weakly coupled to the standard model. We show that mechanical sensors with masses around or below the milligram scale, operating around the standard quantum limit, would enable novel searches for DM with natural frequencies around the kHz scale. This would complement existing strategies based on torsion balances, atom interferometers, and atomic clock systems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

A tail of eternal inflation

Non-trivial inflaton self-interactions can yield calculable signatures of primordial non-Gaussianity that are measurable in cosmic surveys. We calculate the non-Gaussian corrections to Stochastic Inflation within the framework of Soft de Sitter Effective Theory, from which we derive the associated probability distribution for the scalar fluctuations. As a consequence of this new result, we show that the phase transition to slow-roll eternal inflation is often incalculable in these models. Instead, this transition is sensitive to the non-Gaussian tail of the distribution of scalar fluctuations, which probes physics inside the horizon, potentially beyond the cutoff scale of the Effective Field Theory of Inflation. We delineate the parameter space consistent with current observations and weak coupling at horizon crossing in which the large fluctuations relevant for eternal inflation can only be determined by appealing to a UV completion. We also argue that this breakdown of the perturbative description is required for the de Sitter entropy to reflect the number of de Sitter microstates.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Low Background kTon-Scale Liquid Argon Time Projection Chambers

We find that it is possible to increase sensitivity to low energy physics in a third or fourth DUNE-like module with careful controls over radiopurity and some modifications to a detector similar to the DUNE Far Detector design. In particular, sensitivity to supernova and solar neutrinos can be enhanced with improved MeV-scale reach. A neutrinoless double beta decay search with $^{136}$Xe loading appears feasible. Furthermore, sensitivity to Weakly-Interacting Massive Particle (WIMP) Dark Matter (DM) becomes competitive with the planned world program in such a detector, offering a unique seasonal variation detection that is characteristic for the nature of WIMPs.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Beware of fake ν ’s: The effect of massive neutrinos on the nonlinear evolution of cosmic structure

Massive neutrinos suppress the growth of cosmic structure on small, nonlinear scales. It is thus often proposed that using statistics beyond the power spectrum can tighten constraints on the neutrino mass by extracting additional information from these nonlinear scales. We study the information content regarding neutrino mass at the field level, quantifying how much of this information arises from the difference in nonlinear evolution between a cosmology with one fluid [cold dark matter (CDM)] and two fluids ( CDM + neutrinos ). We do so by running two N -body simulations, one with and one without massive neutrinos, both with the same phases, and matching their linear power spectrum at a given low redshift. This effectively isolates the information encoded in the linear initial conditions from the nonlinear cosmic evolution. We demonstrate that, for k ≲ 1 h / Mpc , and for a single redshift, there is negligible difference in the real-space CDM field between the two simulations. This suggests that all the information regarding neutrino mass is in the linear power spectrum set by the initial conditions. Thus, any probe based on the CDM field alone will have negligible constraining power beyond that which exists at the linear level over the same range of scales. Consequently, any probe based on the halo field will contain little information beyond the linear power. We find similar results for the matter field responsible for weak lensing. We also demonstrate that there may be much information beyond the power spectrum in the 3D matter field; however, this is not observable in modern surveys via dark matter halos or weak lensing. Finally, we show that there is additional information to be found in redshift space.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Incorporating the Effect of Large‐Scale Vertical Motion on Convection Through Convective Mass Flux Adjustment in E3SMv2

Abstract Recent observational studies suggest that the large‐scale dynamical forcing (vertical motion) plays important roles in deep convection development. In this study we propose a convective mass flux adjustment (MAdj) approach to represent the dynamical effects of large‐scale vertical motion on convection in the Department of Energy's Energy Exascale Earth System Model version 2 (E3SMv2). With MAdj, convection is enhanced (suppressed) when there is large‐scale ascending (descending) motion at the planetary boundary layer top. The coupling of convection with large‐scale circulation significantly improves the simulation of climate variability in E3SMv2 across multiple scales from the diurnal cycle, convectively coupled equatorial waves, to the Madden‐Julian Oscillation (MJO). The standard E3SMv2 tends to simulate overly weak diurnal amplitude of precipitation and overly weak variance of convectively coupled equatorial Kelvin and westward inertio‐gravity (WIG) waves. It also fails to simulate the essential characteristics of the MJO: continuous eastward propagation. With MAdj, the amplitude of diurnal cycle of precipitation is systematically increased and its probability density distribution is much closer to observations. The MAdj can also simulate more realistic eastward propagation of the MJO and much stronger convectively coupled Kelvin and WIG waves. Moreover, the MAdj approach slightly improves the climatology simulations in precipitation, cloud, radiation, circulation, temperature, and moisture fields, with overall root‐mean‐square error (RMSE) of major climatological fields reduced by about 2%. The MAdj approach suppresses excessive grid‐scale precipitation, reducing precipitation wet biases over South China Sea, Philippine Sea, Himalayas, and South Pacific Convergence Zone in western Pacific in summer.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Readout of Large Capacitance SiPMs by Weak Coupling to Charge Sensitive Amplifier

Large area and large capacitance silicon photomultiplier (SiPM) arrays are employed to collect scintillation light in noble liquid time projection chambers (TPC) such as DarkSide, nEXO, MEGII, protoDUNE and DUNE. Light readout using ASICs designed for operation in noble liquids is a solution for large meter-scale photon detectors. However, conventional readout requires a high voltage decoupling capacitor larger than SiPM capacitance (in the range of tens of nF) to achieve full charge transfer to the preamplifier. Here, we demonstrate a readout concept by weakly coupling (via a capacitor lower by an order of magnitude than SiPM capacitance) to a charge sensitive amplifier, LArASIC in this case, without any loss in the signal to noise ratio (S/N). The single-photoelectron detection, signal-to-noise ratio, timing resolution, and coincidence detection are experimentally characterized.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Bringing weak transitions to light

Abstract Weak transitions between quantum states are of fundamental importance for a broad range of phenomena from analytical biochemistry to precision physics, but generally challenge experimental detection. Due to their small cross sections scaling with the absolute square of their transition matrix elements, spectroscopic measurements often fail in particular in the presence of competing background processes. Here we introduce a general concept to break this scaling law and enhance the transition probability by exploiting a stronger laser-coupled pathway to the same excited state. We demonstrate the concept experimentally by attosecond transient absorption spectroscopy in helium atoms. The quasi-forbidden transitions from the ground state 1s 2 to the weakly coupled doubly excited 2p3dandsp 2,4− states are boosted by an order of magnitude. Enhancing single-photon-suppressed transitions can find widespread applicability, from spectral diagnostics of complex molecules in life and chemical sciences to precision spectroscopy of weak transitions in metastable atomic nuclei in the search for new physics.

Science & Technology - Other Topics↗
DOE OSTI2021

Aerosol characteristics at the Southern Great Plains site during the HI-SCALE campaign

Abstract. Large uncertainties exist in global climate model predictions of radiative forcing due to insufficient understanding and simplified numerical representation of cloud formation and cloud–aerosol interactions. The Holistic Interactions of Shallow Clouds, Aerosols and Land Ecosystems (HI-SCALE) campaign was conducted near the DOE's Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) site in north-central Oklahoma to provide a better understanding of land–atmosphere interactions, aerosol and cloud properties, and the influence of aerosol and land–atmosphere interactions on cloud formation. The HI-SCALE campaign consisted of two intensive observational periods (IOPs) (April–May and August–September, 2016), during which coincident measurements were conducted both on the G-1 aircraft platform and at the SGP ground site. In this study we focus on the observations at the SGP ground site. An Aerodyne high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS) and an Ionicon proton-transfer-reaction mass spectrometer (PTR-MS) were deployed, characterizing chemistry of non-refractory aerosol and trace gases, respectively. Contributions from various aerosol sources, including biogenic and biomass burning emissions, were retrieved using factor analysis of the AMS data. In general, the organic aerosols at the SGP site was highly oxidized, with oxygenated organic aerosol (OOA) identified as the dominant factor for both the spring and summer IOP though more aged in spring. Cases of isoprene-epoxydiol-derived secondary organic aerosol (IEPOX SOA) and biomass burning events were further investigated to understand additional sources of organic aerosol. Unlike other regions largely impacted by IEPOX chemistry, the IEPOX SOA at SGP was more highly oxygenated, likely due to the relatively weak local emissions of isoprene. Biogenic emissions appear to largely control the formation of organic aerosol (OA) during the HI-SCALE campaign. Potential HOM (highly oxygenated molecule) chemistry likely contributes to the highly oxygenated feature of aerosols at the SGP site, with impacts on new particle formation and global climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Weighing neutrinos with the halo environment

Nonlinear objects like halos and voids exhibit a scale-dependent bias on linear scales in massive neutrino cosmologies. Additionally, the shape of this scale-dependent bias is a unique signature of the neutrino masses, but the amplitude of the signal is generally small, of the order of fν, the contribution of neutrinos to the total matter content (≲ 1%). In this paper, we demonstrate for the first time how the strength of this signal can be substantially enhanced by using information about the halo environment at a range of scales. This enhancement is achieved by using certain combinations of the large scale Cold Dark Matter and total matter environments of halos, both of which are measurable from galaxy clustering and weak lensing surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Testing horndeski gravity with S2 star orbit

ABSTRACT We have explored a completely new and alternative way to restrict the parameter space of Horndeski theory of gravity. Using its Newtonian limit, it is possible to test the theory at a regime where, given its complexity and the small magnitude of the expected effects, it is poorly probed. At Newtonian level, it gives rise to a generalized Yukawa-like Newtonian potential which we have tested using S2 star orbit data. Our model adds five parameters to the General Relativity model, and the analysis constrains two of them with unprecedented precision to these energy scales, while it only gives an exclusion region for the remaining parameters. We have shown the potential of weak-field tests to constrain Horndeski gravity opening, as a matter of fact, which is a new avenue that deserves to be further, and deeply, explored in the near future.

Della Monica, R. (ORCID:0000000238429297)↗
DOE OSTI2022

Quantum-inspired method for solving the Vlasov-Poisson equations

Kinetic simulations of collisionless (or weakly collisional) plasmas using the Vlasov equation are often infeasible due to high-resolution requirements and the exponential scaling of computational cost with respect to dimension. Recently, it has been proposed that matrix product state (MPS) methods, a quantum-inspired but classical algorithm, can be used to solve partial differential equations with exponential speed-up, provided that the solution can be compressed and efficiently represented as a MPS within some tolerable error threshold. Here, in this work, we explore the practicality of MPS methods for solving the Vlasov-Poisson equations for systems with one coordinate in space and one coordinate in velocity, and find that important features of linear and nonlinear dynamics, such as damping or growth rates and saturation amplitudes, can be captured while compressing the solution significantly. Furthermore, by comparing the performance of different mappings of the distribution functions onto the MPS, we develop an intuition of the MPS representation and its behavior in the context of solving the Vlasov-Poisson equations, which will be useful for extending these methods to higher-dimensional problems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗