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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Longitudinal short-distance constraints for the hadronic light-by-light contribution to (g - 2) μ with large-N c Regge models

While the low-energy part of the hadronic light-by-light (HLbL) tensor can be constrained from data using dispersion relations, for a full evaluation of its contribution to the anomalous magnetic moment of the muon (g – 2) μ also mixed- and high-energy regions need to be estimated. Both can be addressed within the operator product expansion (OPE), either for configurations where all photon virtualities become large or one of them remains finite. Imposing such short-distance constraints (SDCs) on the HLbL tensor is thus a major aspect of a model-independent approach towards HLbL scattering. Here, we focus on longitudinal SDCs, which concern the amplitudes containing the pseudoscalar-pole contributions from π o , η, η'. Since these conditions cannot be fulfilled by a finite number of pseudoscalar poles, we consider a tower of excited pseudoscalars, constraining their masses and transition form factors from Regge theory, the OPE, and phenomenology. Implementing a matching of the resulting expressions for the HLbL tensor onto the perturbative QCD quark loop, we are able to further constrain our calculation and significantly reduce its model dependence. We find that especially for the π0 the corresponding increase of the HLbL contribution is much smaller than previous prescriptions in the literature would imply. Overall, we estimate that longitudinal SDCs increase the HLbL contribution by Δa$^{LSDC}_{μ}$ = 13(6) × 10 -11 . This number does not include the contribution from the charm quark, for which we find a$^{c–quark}_{μ}$ = 3(1) × 10 –11 .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

AdS scale separation and the distance conjecture

It has been argued that orientifold vacua with fluxes in type IIA string theory can achieve moduli stabilisation and arbitrary decoupling between the AdS and KK scales upon sending certain unconstrained RR-flux quanta to infinity. In this paper, we find a novel scalar field in the open-string sector that allows us to interpolate between such IIA vacua that differ in flux quanta and find that the limit of large fluxes is nicely consistent with the distance conjecture. This shows that the massive IIA vacua pass an important Swampland criterion and suggests that scale-separated AdS vacua might not be in the Swampland. Our analysis also naturally suggests a flux analogue of “Reid’s fantasy” where flux vacua that differ in quantised flux numbers can be connected through trajectories in open-string field space and not just via singular domain walls.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Disentangling long and short distances in momentum-space TMDs

The extraction of nonperturbative TMD physics is made challenging by prescriptions that shield the Landau pole, which entangle long- and short-distance contributions in momentum space. The use of different prescriptions then makes the comparison of fit results for underlying nonperturbative contributions not meaningful on their own. We propose a model-independent method to restrict momentum-space observables to the perturbative domain. This method is based on a set of integral functionals that act linearly on terms in the conventional position-space operator product expansion (OPE). Artifacts from the truncation of the integral can be systematically pushed to higher powers in Λ QCD /k T . We demonstrate that this method can be used to compute the cumulative integral of TMD PDFs over k T ≤ k$^{cut}_{T}$ in terms of collinear PDFs, accounting for both radiative corrections and evolution effects. This yields a systematic way of correcting the naive picture where the TMD PDF integrates to a collinear PDF, and for unpolarized quark distributions we find that when renormalization scales are chosen near k$^{cut}_{T}$, such corrections are a percent-level effect. We also show that, when supplemented with experimental data and improved perturbative inputs, our integral functionals will enable model-independent limits to be put on the non-perturbative OPE contributions to the Collins-Soper kernel and intrinsic TMD distributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Dependence of inclusive jet production on the anti-k$_{T}$ distance parameter in pp collisions at $ \sqrt{\mathrm{s}} $ = 13 TeV

The dependence of inclusive jet production in proton-proton collisions with a center-of-mass energy of 13 TeV on the distance parameter R of the anti-k$_{T}$ algorithm is studied using data corresponding to integrated luminosities up to 35.9 fb$^{−1}$ collected by the CMS experiment in 2016. The ratios of the inclusive cross sections as functions of transverse momentum p$_{T}$ and rapidity y, for R in the range 0.1 to 1.2 to those using R = 0.4 are presented in the region 84 < p$_{T}$< 1588 GeV and |y|< 2.0. The results are compared to calculations at leading and next-to-leading order in the strong coupling constant using different parton shower models. The variation of the ratio of cross sections with R is well described by calculations including a parton shower model, but not by a leading-order quantum chromodynamics calculation including nonperturbative effects. The agreement between the data and the theoretical predictions for the ratios of cross sections is significantly improved when next-to-leading order calculations with nonperturbative effects are used.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

A novel methodology for gamma-ray spectra dataset procurement over varying standoff distances and source activities

The adoption of machine learning approaches for gamma-ray spectroscopy has received considerable attention in the literature. Many studies have investigated the deployment of various algorithm architectures to a specific task. However, little attention has been afforded to the development of the datasets leveraged to train the models. Such training datasets typically span a set of environmental or detector parameters to encompass a problem space of interest to a user. Variations in these measurement parameters will also induce fluctuations in the detector response, including expected pile-up and ground scatter effects. Fundamental to this work is the understanding that 1) the underlying spectral shape varies as the measurement parameters change and 2) the statistical uncertainties associated with two spectra impact their level of similarity. While previous studies attribute some arbitrary discretization to the measurement parameters for the generation of their synthetic training data, this work introduces a principled methodology for efficient spectral-based discretization of a problem space. A signal-to-noise ratio (SNR) respective spectral comparison measure and a Gaussian Process Regression (GPR) model are used to predict the spectral similarity across a range of measurement parameters. This innovative approach effectively showcased its capability by dividing a problem space, ranging from 5 cm to 100 cm standoff distances and 5 μCi–100 μCi of 137 Cs, into three unique combinations of measurement parameters. The findings from this work will aid in creating more robust datasets, which incorporate many possible measurement scenarios, reduce the number of required experimental test set measurements, and possibly enable experimental training data collection for gamma-ray spectroscopy.

data science↗
DOE OSTI2020

Near-axis expansion of stellarator equilibrium at arbitrary order in the distance to the axis

A direct construction of equilibrium magnetic fields with toroidal topology at arbitrary order in the distance from the magnetic axis is carried out, yielding an analytical framework able to explore the landscape of possible magnetic flux surfaces in the vicinity of the axis. This framework can provide meaningful analytical insight into the character of high-aspect-ratio stellarator shapes, such as the dependence of the rotational transform and the plasma beta limit on geometrical properties of the resulting flux surfaces. The approach developed here is based on an asymptotic expansion on the inverse aspect ratio of the ideal magnetohydrodynamics equation. The analysis is simplified by using an orthogonal coordinate system relative to the Frenet–Serret frame at the magnetic axis. The magnetic field vector, the toroidal magnetic flux, the current density, the field line label and the rotational transform are derived at arbitrary order in the expansion parameter. Moreover, a comparison with a near-axis expansion formalism employing an inverse coordinate method based on Boozer coordinates (the so-called Garren–Boozer construction) is made, where both methods are shown to agree at lowest order. Finally, as a practical example, a numerical solution using a W7-X equilibrium is presented, and a comparison between the lowest-order solution and the W7-X magnetic field is performed.

Physics↗
DOE OSTI2024

Stellarator equilibrium axis-expansion to all orders in distance from the axis for arbitrary plasma beta

A systematic theory of the asymptotic expansion of the magnetohydrostatics (MHS) equilibrium in the distance from the magnetic axis is developed to include arbitrary smooth currents near the magnetic axis. Compared with the vacuum and the force-free system, an additional magnetic differential equation must be solved to obtain the pressure-driven currents. It is shown that there exist variables in which the rest of the MHS system closely mimics the vacuum system. Thus, a unified treatment of MHS fields is possible. The mathematical structure of the near-axis expansions to arbitrary order is examined carefully to show that the double-periodicity of physical quantities in a toroidal domain can be satisfied order by order. The essential role played by the leading-order Birkhoff–Gustavson normal form in solving the magnetic differential equations is highlighted. Several explicit examples of vacuum, force-free and MHS equilibrium in different geometries are presented.

Physics↗
DOE OSTI2023

Earth Mover’s Distance as a Metric to Evaluate the Extent of Charge Transfer in Excitations Using Discretized Real-Space Densities

This paper presents a novel theoretical measure, μ EMD , based on the earth mover's distance (EMD), for quantifying the density shift caused by electronic excitations in molecules. As input, the EMD metric uses only the discretized ground- and excited-state electron densities in real space, rendering it compatible with almost all electronic structure methods used to calculate excited states. The EMD metric is compared against other popular theoretical metrics for describing the extent of electron-hole separation in a wide range of excited states (valence, Rydberg, charge transfer, etc.). Further, the results showcase the EMD metric's effectiveness across all excitation types and suggest that it is useful as an additional tool to characterize electronic excitations. The study also reveals that μ EMD can function as a promising diagnostic tool for predicting the failure of pure exchange-correlation functionals. Specifically, we show statistical relationships among the functional-driven errors, the exact exchange content within the functional, and the magnitude of μ EMD values.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Electron Transfer Going the Distance: Mn-Doped ZnSe as a Model Photocatalytic System

In this work, time-resolved photoluminescence and transient absorption spectroscopy are used to examine the influence that long excited state lifetimes of Mn-doped nanocrystals have on the mechanisms of photo-induced electron transfer (PET) in photocatalytic systems. Mn-doped ZnSe nanocrystals can undergo PET over their nearly millisecond excited state lifetime, which enables electron transfer to viologens in solution over large encounter distances in comparison to molecular length scales. The long excited state lifetimes also enable diffusion of the excited nanocrystals over hundreds of nanometers in solution, allowing them to react with molecular species at nanomolar concentrations. The ability to capture and sustain optical energy in spin-forbidden transitions among crystal field states of the Mn ions opens opportunities to explore the influence that long excited state lifetimes have on photocatalytic reaction mechanisms involving molecular species such as CO 2 that can be difficult to concentrate or attach to nanocrystal surfaces.

14 SOLAR ENERGY↗
DOE OSTI2020

Assembly of Building Blocks by Double-End-Anchored Polymers in the Dilute Regime Mediated by Hydrophobic Interactions at Controlled Distances

Hierarchical assembly of building blocks via competing, orthogonal interactions is a hallmark of many of nature’s composite materials that do not require highly specific ligand-receptor interactions. To mimic this assembly mechanism requires the development of building blocks capable of tunable interactions. In the present work, we explored the interplay between repulsive (steric and electrostatic) and attractive hydrophobic forces. The designed building blocks allow hydrophobic forces to effectively act at controlled, large distances, to create and tune the assembly of membrane-based building blocks under dilute conditions and affect their interactions with cellular membranes via physical cross-bridges. Specifically, we employed double-end-anchored poly(ethylene glycol)s (DEA-PEGs)—hydrophilic PEG tethers with hydrophobic tails on both ends. Using differential-interference-contrast optical microscopy, synchrotron small angle X-ray scattering (SAXS), and cryogenic electron microscopy, we investigated the ability of DEA-PEGs to mediate assembly in the dilute regime on multiple length scales and on practical time scales. The PEG length, anchor hydrophobicity, and molar fraction of DEA-PEG molecules within a membrane strongly affect the assembly properties. Additional tuning of the intermembrane interactions can be achieved by adding repulsive interactions via PEG-lipids (steric) or cationic lipids to the DEA-PEG-mediated attractions. Further, while the optical and electron microscope imaging methods provided qualitative evidence of the ability of DEA-PEGs to assemble liposomes, the SAXS measurements and quantitative line-shape analysis in dilute preparations demonstrated that the ensemble average of loosely organized liposomal assemblies maintains DEA-PEG concentration-dependent tethering on defined nanometer length scales. For cationic liposome–DNA nanoparticles (CL–DNA NPs), aggregation induced by DEA-PEGs decreased internalization of NPs by cells, but tuning the DEA-PEG-induced attractions by adding repulsive steric interactions via PEG-lipids limited aggregation and increased NP uptake. However, confocal microscopy imaging together with colocalization studies with Rab11 and LysoTracker as markers of intracellular pathways showed that modifying CL–DNA NPs with DEA-PEGs alters their interactions with the plasma and endosomal membranes.

- x-ray scattering↗
DOE OSTI2020

Effects of tacticity and chiral center-to-dipole distance on mesogen-free liquid crystalline self-assembly of sulfonyl-containing comb-like polymers

In this report, new approaches were implemented to achieve novel ferroelectric liquid crystalline self-assembly in mesogen-free comb-like isotactic polyoxypropylenes (iPOPs) bearing mono- or di-sulfonyl groups, which have potential to exhibit high spontaneous polarization for applications in advanced electronic devices. iPOPs with n-alkylsulfonylpentylthioether side chains (iPOP-SC 5 SO 2 C n , where C n is the alkyl tail with n being either 12 or 8) were prepared via a post-polymerization substitution reaction from isotactic poly[(R)-(–)-epichlorohydrin]. Here, the effects of main-chain tacticity, chiral center-to-dipole distance, number of sulfonyl dipoles per side chain, and n-alkyl tail length on the liquid crystalline self-assembly behavior were investigated by comparing iPOPs with their atactic counterparts. First, when the sulfonyl dipole was placed far away from the chiral center in iPOP-SC 5 SO 2 C n compared with our previously reported isotactic polyethers with n-alkylsulfonyl side chains (iPOP-SO 2 C n ), the dipole–dipole interactions among the side chains decreased, which led to more liquid crystalline phases. Smectic E (SmE) and A (SmA) phases were observed after crystal melting; however, the main-chain chiral center was found to have an insignificant effect on the liquid crystalline assembly when compared to the atactic samples. Second, the longer C n tails increased the transition temperatures as a result of stronger van der Waals interactions. Third, after the thioether linkage in the side chain was oxidized into the sulfonyl group, the chiral center–dipole and dipole–dipole interactions in the resultant polymers (i.e., iPOP-SO 2 C 5 SO 2 C n ) enhanced. As a result, the liquid crystalline phase transitions (i.e., crystal → SmE → SmA → I) were pushed to higher temperatures. The knowledge gained in this study will help us further design and achieve the ferroelectric smectic C* phase in mesogen-free comb-like sulfonylated liquid crystalline polymers.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Optimizing the accuracy of viscoelastic characterization with AFM force–distance experiments in the time and frequency domains

Atomic Force Microscopy (AFM) force-distance (FD) experiments have emerged as an attractive alternative to traditional micro-rheology measurement techniques owing to their versatility of use in materials of a wide range of mechanical properties. Here, we show that the range of time dependent behaviour which can reliably be resolved from the typical method of FD inversion (fitting constitutive FD relations to FD data) is inherently restricted by the experimental parameters: sampling frequency, experiment length, and strain rate. Specifically, we demonstrate that violating these restrictions can result in errors in the values of the parameters of the complex modulus. In the case of complex materials, such as cells, whose behaviour is not specifically understood a priori, the physical sensibility of these parameters cannot be assessed and may lead to falsely attributing a physical phenomenon to an artifact of the violation of these restrictions. We use arguments from information theory to understand the nature of these inconsistencies as well as devise limits on the range of mechanical parameters which can be reliably obtained from FD experiments. The results further demonstrate that the nature of these restrictions depends on the domain (time or frequency) used in the inversion process, with the time domain being far more restrictive than the frequency domain. Lastly, we demonstrate how to use these restrictions to better design FD experiments to target specific timescales of a material's behaviour through our analysis of a polydimethylsiloxane (PDMS) polymer sample.

information theory↗
DOE OSTI2023

On the use of NMR distance measurements for assessing surface site homogeneity

The past few decades have seen tremendous growth in the area of single-site heterogeneous catalysis, which aims to combine the best aspects of homogeneous and heterogeneous catalysis, namely molecular-level site control and ease of separation/recycling. Despite this, we still do not have a means of assessing site homogeneity and whether the produced catalyst is indeed a “single-site”. Recent developments have enabled the use of NMR-based distance measurements to determine the conformations and configurations of surface sites, leading to the question whether such measurements can be used to distinguish materials containing either single or multiple surface sites with otherwise indistinguishable NMR properties. Here, we describe a Monte Carlo-based multi-structure search algorithm and its application to the determination of multi-site structures from supported metal complexes. The sensitivity of REDOR data to the existence of multiple sites is assessed using synthetic data and prior literature examples are revisited to determine whether the single-site approximation was indeed appropriate. We lastly apply this new methodology to differentiate the configurations of zirconocene complexes grafted onto alumina supports that were thermally treated at different temperatures.

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

Asteroids seen by JWST-MIRI: Radiometric size, distance, and orbit constraints

Infrared measurements of asteroids are crucial for the determination of physical and thermal properties of individual objects, and for understanding the small-body populations in the solar system as a whole. However, standard radiometric methods can only be applied if the orbit of an object is known, hence its position at the time of the observation. With JWST-MIRI observations the situation will change and many unknown, often very small, solar system objects will be detected. Later orbit determinations are difficult due to the faintness of the objects and the lack of dedicated follow-up concepts. We present MIRI observations of the outer-belt asteroid (10920) 1998 BC1 and an unknown object, detected in all nine MIRI bands in close apparent proximity to (10920). We developed a new method called STM-ORBIT to interpret the multi-band measurements without knowing the object’s true location. The power of the new technique is that it determines the most-likely heliocentric and observer-centric distance and phase angle ranges, allowing us to make a radiometric size estimate. The application to the MIRI fluxes of (10920) was used to validate the method. It leads to a confirmation of the known radiometric size-albedo solution, and puts constraints on the asteroid’s location and orbit in agreement with its true orbit. To back up the validation of the method, we obtained additional ground-based light curve observations of (10920), combined with Gaia data, which indicate a very elongated object (a/b ≥ 1.5), with a spin-pole at (λ, β) ecl = (178°, +81°), with an estimated error of about 20°, and a rotation period of 4.861191 ± 0.000015 h. A thermophysical study of all available JWST-MIRI and WISE measurements leads to a size of 14.5–16.5 km (diameter of an equal-volume sphere), a geometric albedo pV between 0.05 and 0.10, and a thermal inertia in the range 9–35 (best value 15) J m -2 s -0.5 K -1 . For the newly discovered MIRI object, the STM-ORBIT method revealed a size of 100–230 m. The new asteroid must be on a low-inclination orbit (0.7° < i < 2.0°) and it was located in the inner main-belt region during JWST observations. A beaming parameter η larger than 1.0 would push the size even below 100 meters, a main-belt regime that has escaped IR detections so far. This kind of MIRI observations can therefore contribute to formation and evolution studies via classical size-frequency studies, which are currently limited to objects larger than about one kilometer in size. We estimate that MIRI frames with pointings close to the ecliptic and short integration times of only a few seconds will always include a few asteroids; most of them will be unknown objects.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Direct measurement of storage and loss behavior in AFM force–distance experiments using the modified Fourier transformation

Force–distance curve experiments are commonly performed in atomic force microscopy (AFM) to obtain the viscoelastic characteristics of materials, such as the storage and loss moduli or compliances. The classic methods used to obtain these characteristics consist of fitting a viscoelastic material model to the experimentally obtained AFM data. Here, we demonstrate a new method that utilizes the modified discrete Fourier transform to approximate the storage and loss behavior of a material directly from the data, without the need for a fit. Additionally, one may still fit a model to the resulting storage and loss behavior if a parameterized description of the material is desired. In contrast to fitting the data to a model chosen a priori, departing from a model-free description of the material's frequency behavior guides the selection of the model, such that the user may choose the one that is most appropriate for the particular material under study. To this end, we also include modified Fourier domain descriptions of commonly used viscoelastic models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Suppression of fast neutrino flavor conversions occurring at large distances in core-collapse supernovae

Neutrinos propagating in dense neutrino media such as core-collapse supernovae and neutron star merger remnants can experience the so-called fast flavor conversions on scales much shorter than those expected in vacuum. A very generic class of fast flavor instabilities is the ones which are produced by the backward scattering of neutrinos off the nuclei at relatively large distances from the supernova core. In this study we demonstrate that despite their ubiquity, such fast instabilities are unlikely to cause significant flavor conversions if the population of neutrinos in the backward direction is not large enough. Indeed, the scattering-induced instabilities can mostly impact the neutrinos traveling in the backward direction, which represent only a small fraction of neutrinos at large radii. We show that this can be explained by the shape of the unstable flavor eigenstates, which can be extremely peaked at the backward angles.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

From individual leaves to forest stands: importance of niche, distance decay, and stochasticity vary by ecosystem type and functional group for fungal community composition

Abstract Community assembly is influenced by environmental niche processes as well as stochastic processes that can be spatially dependent (e.g. dispersal limitation) or independent (e.g. priority effects). Here, we sampled senesced tree leaves as unit habitats to investigate fungal community assembly at two spatial scales: (i) small neighborhoods of overlapping leaves from differing tree species and (ii) forest stands of differing ecosystem types. Among forest stands, ecosystem type explained the most variation in community composition. Among adjacent leaves within stands, variability in fungal composition was surprisingly high. Leaf type was more important in stands with high soil fertility and dominated by differing tree mycorrhizal types (sugar maple vs. basswood or red oak), whereas distance decay was more important in oak-dominated forest stands with low soil fertility. Abundance of functional groups was explained by environmental factors, but predictors of taxonomic composition within differing functional groups were highly variable. These results suggest that fungal community assembly processes are clearest for functional group abundances and large spatial scales. Understanding fungal community assembly at smaller spatial scales will benefit from further study focusing on differences in drivers for different ecosystems and functional groups, as well as the importance of spatially independent factors such as priority effects.

59 BASIC BIOLOGICAL SCIENCES↗