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At least 1,081 records · Page 60

Hopping Conductivity in Poly(p-Xylylene)–Fe Nanocomposites

The structure and conductivity of hybrid nanocomposite poly(p-xylylene) films containing iron nanoparticles are studied. The films are obtained by the method of polymerization on a surface from the gas phase, and the concentration of the filler is 4 and 11 vol %. According to the analysis of microphotographs of nanostructures obtained by transmission electron microscopy, the particles are distributed evenly (with a size in the nanometer range and a rather narrow distribution). Studies of the frequency dependence of conductivity show that the transport of the charge carriers is realized by the hopping mechanism with a jump length of ~3.5 nm.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Generating Uncertainty Distributions for Seismic Signal Onset Times

Signal arrival-time estimation plays a critical role in a variety of downstream seismic analyses, including location estimation and source characterization. Any arrival-time errors propagate through subsequent data-processing results. In this article, we detail a general framework for refining estimated seismic signal arrival times along with full estimation of their associated uncertainty. Using the standard short-term average/long-term average threshold algorithm to identify a search window, we demonstrate how to refine the pick estimate through two different approaches. In both cases, new waveform realizations are generated through bootstrap algorithms to produce full a posteriori estimates of uncertainty of onset arrival time of the seismic signal. The onset arrival uncertainty estimates provide additional data-derived information from the signal and have the potential to influence seismic analysis along several fronts.

58 GEOSCIENCES↗

The use of multiwavelets for uncertainty estimation in seismic surface wave dispersion.

This report describes a new single-station analysis method to estimate the dispersion and uncer- tainty of seismic surface waves using the multiwavelet transform. Typically, when estimating the dispersion of a surface wave using only a single seismic station, the seismogram is decomposed into a series of narrow-band realizations using a bank of narrow-band filters. By then enveloping and normalizing the filtered seismograms and identifying the maximum power as a function of frequency, the group velocity can be estimated if the source-receiver distance is known. However, using the filter bank method, there is no robust way to estimate uncertainty. In this report, I in- troduce a new method of estimating the group velocity that includes an estimate of uncertainty. The method is similar to the conventional filter bank method, but uses a class of functions, called Slepian wavelets, to compute a series of wavelet transforms of the data. Each wavelet transform is mathematically similar to a filter bank, however, the time-frequency tradeoff is optimized. By taking multiple wavelet transforms, I form a population of dispersion estimates from which stan- dard statistical methods can be used to estimate uncertainty. I demonstrate the utility of this new method by applying it to synthetic data as well as ambient-noise surface-wave cross-correlelograms recorded by the University of Nevada Seismic Network.

58 GEOSCIENCES↗

Advanced Multi-Tube Mixer Combustion for 65% Efficiency (Final Report)

This project targeted advanced low NOx combustion for advanced gas turbines capable of 65%, or greater, efficiency in combined cycle application. This technology advancement has further potential to benefit gas turbines used in coal based IGCC applications with pre-combustion carbon capture and hydrogen as the resulting fuel. The program developed and synthesized the most advanced combustion system capable of achieving low NOX emissions up to turbine inlet temperatures of 3100F while also supporting the load-following needs of a modern grid. The combustion system contributes to the overall gas turbine efficiency goal by setting the maximum cycle temperature achievable for a given NOX level and by minimizing the through-combustor air flow pressure drop. Focus areas for this project targeted maximizing the turbine inlet temperature entitlement, as constrained by emissions considerations. The design also minimized parasitic air flow pressure drop by using advanced cooling techniques and performance materials selections and by minimizing hot surface area. These two technology objectives (maximum, emissions-compliant cycle temperature and minimum air flow pressure drop) were integrated into a prototype design. The primarily analytical project sought to identify the most promising technologies to meet these objectives. Additional critical “jugular” data were obtained from multi-tube mixer tests to realize the potential of leveraging “micro flames” for minimizing overall hot surface area. This data was used, in conjunction with an understanding of advanced material and cooling design technologies, to analytically develop multiple design concepts. Phase I focused on in-depth engineering analysis and design, with minimal supporting laboratory testing to enable a selection of the top three combustion architectures for achieving these overall objectives. Phase II of the program developed the selected design through a combination of sub-scale testing and analytical efforts. Early tests included a cold-flow cascade to establish aerodynamic performance characteristics and a sub-scale fired test at GE Global Research in Niskayuna, NY, to establish cooling and heat transfer characteristics in conjunction with combustion performance. The data from these tests validated the analytical models to ultimately design a full-scale, test article to evaluate at prototypical pressure and temperature conditions at GE Gas Power’s Gas Turbine Technology Laboratory in Greenville, SC. GE Gas Power also developed, tested, and recommended a suitable seal design to be applied to the unique features of the combustor. To assess the technology challenges from prospective future production of the combustor from a ceramic matrix composite material, screening tests of Environmental Barrier Coatings were completed.

20 FOSSIL-FUELED POWER PLANTS↗

Mathematical methods for optimal polynomial recovery of high-dimensional systems from noisy data

The goal of our Early Career Research Project (ECRP) is to establish a modern mathematical foundation that will enable next-generation computational methods for polynomial approximation of high-dimensional systems, having a certain set of constraints, from a limited amount of noisy data. Such a foundation is critical to realizing the future potential of the DOE user facilities, and will ultimately empower scientists to address a fundamental question, namely, “how many realizations of a nonlinear manifold are required to recover the entire high-dimensional solution map, with optimal approximation guarantees and minimal computational cost?” The central theme of this effort aims to conquer this challenge by pioneering the development of extraordinarily innovative theoretical analysis and transformational non-intrusive computational methodologies. Such approaches will enable the reconstruction of the entire high-dimensional solution map, with accuracy comparable to the best approximation, while utilizing an optimal number of samples. During this reporting period we have made significant progress on four thrusts.

97 MATHEMATICS AND COMPUTING↗

An Astronomical Test of CCD Photometric Precision

Ground-based differential photometry is limited to a precision of order 10(exp -3) because of atmospheric effects. A space-based photometer should be limited only by the inherent instrument precision and shot noise. Laboratory tests have shown that a precision of order 10-5 is achievable with commercially available charged coupled devices (CCDs). We have proposed to take this one step further by performing measurements at a telescope using a Wollaston prism as a beam splitter First-order atmospheric effects (e.g., extinction) will appear to be identical in the two images of each star formed by the prism and will be removed in the data analysis. This arrangement can determine the precision that is achievable under the influence of second-order atmospheric effects (e.g., variable point-spread function (PSF) from seeing). These telescopic observations will thus provide a lower limit to the precision that can be realized by a space-based differential photometer.

Koch, David G.↗

Sensing and Active Flow Control for Advanced BWB Propulsion-Airframe Integration Concepts

In order to realize the substantial performance benefits of serpentine boundary layer ingesting diffusers, this study investigated the use of enabling flow control methods to reduce engine-face flow distortion. Computational methods and novel flow control modeling techniques were utilized that allowed for rapid, accurate analysis of flow control geometries. Results were validated experimentally using the Techsburg Ejector-based wind tunnel facility; this facility is capable of simulating the high-altitude, high subsonic Mach number conditions representative of BWB cruise conditions.

Fleming, John↗

Recommendations for Using Noise Monitors to Estimate Noise Exposure During X-59 Community Tests

A low fidelity simulation approach is used to explore how to place and use noise monitors during X-59 QueSST community tests, where people’s annoyance to the noise produced by the X-59 aircraft will be gathered. Several recommendations are provided including: 1) the desired number of sparsely spaced noise monitor sites within the survey area, 2) whether to group and average measurements across multiple noise monitors located at a site, 3) what spacing should be used if grouped noise monitors are used, 4) an approach to mitigate ambient noise contamination at the measurement sites, 5) a method to combine empirical and predicted dose estimates to provide a single dose estimate for respondents, and 6) assessing how changes in turbulence intensity and array configuration affect dose uncertainty. To make these recommendations, the error that is expected when fitting contrived, smoothly varying sonic boom “reference exposure surfaces” is studied when a spatially sparse and scattered set of samples is used as responses for the fit. The reference exposure surfaces mimic the sonic boom exposure at ground level that might be expected in the X-59 survey area in the absence of atmospheric turbulence, ambient noise, and other localized effects. The spatial extent of these surfaces varies and is representative of the different survey area sizes that might be expected during future X-59 community overflight tests. These contrived reference surfaces are sampled, and those reference samples are then perturbed to mimic atmospheric turbulence, ambient noise and other localized effects that might affect noise monitor measurements within overflown communities. Two different surface fitting methods are investigated when fitting these perturbed samples to approximate the reference surface. The first method uses interpolation between the perturbed data at the scattered sites to compute the fit. The second method fits a polynomial surface model to the perturbed data using ordinary least squares regression analysis. For both fitting methods, the root mean square fit error is computed from the pointwise difference between the fit surface and the reference surface as the count and configuration of the sites is varied while also averaging the error across many different realizations of both the smooth variation of the reference exposure surface and the random, localized perturbations at the sample sites. Different site configurations are compared using this error statistic to make the recommendations noted above. Additionally, the two fitting approaches (interpolation vs linear regression) are compared based on the fit error observed in these simulations. These analyses, comparisons, and recommendations should inform future decisions on the noise monitor placement and the methods used to analyze the noise monitor data that is collected during X-59 community overflights.

sonic boom↗

Tropical Red Macroalgae Cultivation with a Focus on Compositional Analysis

To create carbon efficient sources of bioenergy feedstocks and feedstuff for aquaculture and terrestrial livestock, it is critical to develop and commercialize the most efficient seaweed cultivation approach with a sustainable nutrient input supply. Here, we present data for a novel, onshore tropical macroalgae cultivation system, based on influent deep seawater as the nutrient and carbon sources. Two red algal species were selected, Agardhiella subulata and Halymenia hawaiiana, as the basis for growth optimization. Highest productivity in small-scale cultivation was demonstrated with A. subulata in the 10% deep seawater (64.7 µg N L−1) treatment, growing at up to 26% specific growth rate day−1 with highest yields observed at 247.5 g m−2 day−1 fresh weight. The highest yields for H. hawaiiana were measured with the addition of 10% deep seawater up to 8.8% specific growth rate day−1 and yields at 63.3 g fresh weight m−2 day−1 equivalent. Biomass should be culled weekly or biweekly to avoid density limitations, which likely contributed to a decrease in SGR over time. With a measured 30–40% carbon content of the ash-free dry weight (20–30% of the dry weight) biomass, this translates to an almost 1:1 CO2 capture to biomass ratio. The compositional fingerprint of the high carbohydrate content of both Agardhiella and Halymenia makes for an attractive feedstock for downstream biorefinery applications. By focusing on scaling and optimizing seaweed farming technologies for large-scale onshore farms, the opportunities for yield potential, adaptability to cultivation conditions, and meeting global sustainability goals through novel, carbon-negative biomass sources such as seaweed can be realized.

09 BIOMASS FUELS↗

Multinuclear PFGSTE NMR description of 39 K, 23 Na, 7 Li, and 1 H specific activation energies governing diffusion in alkali nitrite solutions

While pulsed field gradient stimulated echo nuclear magnetic resonance (PFGSTE NMR) spectroscopy has found widespread use in the quantification of self-diffusivity for many NMR-active nuclei, extending this technique to uncommon nuclei with unfavorable NMR properties remains an active area of research. Potassium-39 ( 39 K) is an archetypical NMR nucleus exhibiting an unfavorable gyromagnetic ratio combined with a very low Larmor frequency. Despite these unfavorable properties, this work demonstrates that 39 K PFGSTE NMR experiments are possible in aqueous solutions of concentrated potassium nitrite. Further, analysis of the results indicates that 39 K NMR diffusometry is feasible when the nuclei exhibit spin–lattice and spin–spin relaxation coefficients on the order of 60–100 ms and 50–100 ms, respectively. The diffusivity of 39 K followed Arrhenius behavior, and comparative 23 Na, 7 Li, and 1 H PFGSTE NMR studies of equimolal sodium nitrite and lithium nitrite solutions led to correlations between the enthalpy of hydration with the activation energy governing self-diffusion of the cations and also of water. Realizing the feasibility of 39 K PFGSTE NMR spectroscopy has a widespread impact across energy sciences because potassium is a common alkali element in energy storage materials and other applications.

74 ATOMIC AND MOLECULAR PHYSICS↗

Economic Evaluation of Flexibility in the Design of IGCC Plants with Integrated Membrane Reactor Modules

ABSTRACT Integrated Gasification Combined Cycle with embedded membrane reactor modules (IGCC‐MR) represents a new technology option for the coproduction of electricity and pure hydrogen endowed with enhanced environmental performance capacity. It is viewed as an alternative to conventional coal‐ and gas‐fired power generation technologies. An IGCC‐MR power plant needs to be techno‐economically evaluated in the presence of irreducible regulatory and fuel market uncertainties for the potential deployment of an initial fleet of demonstration plants at the commercial scale. This paper applies a systematic methodological framework to assess the economic value of flexible alternatives in the design and operation of an IGCC‐MR plant under the aforementioned sources of uncertainty. The main objective is to demonstrate the potential value enhancements associated with the long‐term economic performance of flexible IGCC‐MR project investments, by managing the uncertainty associated with future environmental regulations and fuel costs. The paper provides an overview of promising design flexibility concepts for IGCC‐MR power plants and focuses on operational and constructional systems flexibility. Operational flexibility is realized through temporary plant shutdown with considerations of regulatory and market uncertainties. Constructional flexibility is realized by considering the installation of a Carbon Capture and Storage (CCS) unit at three strategic periods: (1) installation at the initial construction phase, (2) retrofitting at a later stage, and (3) retrofitting at a later stage with preinvestment. Monte Carlo simulations and financial analysis demonstrate that, in the presence of irreducible uncertainty, the most economically advantageous flexibility option is to install CCS in the initial IGCC‐MR construction phase.

Zhang, Juzheng↗

Rooftop solar incentives remain effective for low- and moderate-income adoption

Financial incentives for rooftop solar photovoltaic (PV) adoption have declined in the United States over time by policy design. Incentive phase-down can efficiently promote early adoption and avoid ineffective payments to late adopters. Furthermore, incentive phase-down may exclude low- and moderate-income (LMI) households from realizing the same financial benefits from PV adoption as high-income early adopters. Here, data from two state-level LMI PV incentive programs are analyzed to test whether incentives still drive PV adoption among LMI households. As a first order approximation, the analysis suggests that incentives drove adoption that would not otherwise have happened in about 80% of cases. To the extent that policymakers prioritize PV adoption equity as part of the emerging energy justice policy agenda, the results suggest that ongoing incentive support for LMI adoption may be merited.

14 SOLAR ENERGY↗

Probing the Local Site Disorder and Distortion in Pyrochlore High-Entropy Oxides

High-entropy oxides (HEOs) have attracted great interest in diverse fields because of their inherent opportunities to tailor and combine materials functionalities. The control of local order/disorder in the class is by extension a grand challenge toward realizing their vast potential. In this paper, we report the first examples of pyrochlore HEOs with five M-site cations, for Nd 2 M 2 O 7 , in which the local structure has been investigated by neutron diffraction and pair distribution function (PDF) analysis. The average structure of the pyrochlores is found to be orthorhombic Imma, in agreement with radius-ratio rules governing the structural archetype. The computed PDFs from density functional theory relaxed special quasirandom structure models are compared with real space PDFs in this work to evaluate M-site order/disorder. Reverse Monte Carlo combined with ab initio molecular dynamics and Metropolis Monte Carlo simulations demonstrates that Nd 2 (Ta 0.2 Sc 0.2 Sn 0.2 Hf 0.2 Zr 0.2 ) 2 O 7 is synthesized with its M-site local to nanoscale order highly randomized/disordered, while Nd 2 (Ti 0.2 Nb 0.2 Sn 0.2 Hf 0.2 Zr 0.2 ) 2 O 7+x exhibits a strong distortion of the TiO 6 octahedron and small degree of Ti chemical short-range order (SRO) on the subnanometer scale. Calculations suggest that this may be intrinsic, energetically favored SRO rather than due to sample processing. These results offer an important demonstration that the engineered variation of participating ions in HEOs, even among those with very similar radii, provides richly diverse opportunities to control local order/disorder motifs—and therefore materials properties for future designs. This work also hints at the exquisite level of detail that may be needed in computational and experimental data analysis to guide structure–property tuning in the emerging HEO materials class.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electron-ion coincidence measurements of molecular dynamics with intense X-ray pulses

Molecules can sequentially absorb multiple photons when irradiated by an intense X-ray pulse from a free-electron laser. If the time delay between two photoabsorption events can be determined, this enables pump-probe experiments with a single X-ray pulse, where the absorption of the first photon induces electronic and nuclear dynamics that are probed by the absorption of the second photon. Here we show a realization of such a single-pulse X-ray pump-probe scheme on N 2 molecules, using the X-ray induced dissociation process as an internal clock that is read out via coincident detection of photoelectrons and fragment ions. By coincidence analysis of the kinetic energies of the ionic fragments and photoelectrons, the transition from a bound molecular dication to two isolated atomic ions is observed through the energy shift of the inner-shell electrons. Via ab-initio simulations, we are able to map characteristic features in the kinetic energy release and photoelectron spectrum to specific delay times between photoabsorptions. In contrast to previous studies where nuclear motions were typically revealed by measuring ion kinetics, our work shows that inner-shell photoelectron energies can also be sensitive probes of nuclear dynamics, which adds one more dimension to the study of light-matter interactions with X-ray pulses.

74 ATOMIC AND MOLECULAR PHYSICS↗

Anisotropic inflation in Gauss-Bonnet gravity

We study anisotropic inflation with Gauss-Bonnet correction in presence of a massless vector field. In this scenario, exact anisotropic power-law inflation is realized when the inflaton potential, gauge coupling function and the Gauss-Bonnet coupling are exponential functions. We show that anisotropy becomes proportional to two slow-roll parameters of the theory and hence gets enhanced in presence of quadratic curvature corrections. The stability analysis reveals that anisotropic power-law solutions remain stable over a substantially large parameter region.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Floquet engineering of polaritonic amplification in dispersive photonic time crystals

In this study, we investigate the dynamics of dispersive photonic time crystals (PTCs) and their potential applications for controlling light-matter interaction. Using the Lorentz-Drude as dispersive material model, we analyze the effects of periodic modulation of dispersion parameters through both theoretical and numerical analysis, revealing the emergence of hybrid bandgaps from the interaction of polaritonic branches with distinctive characteristics. Our study demonstrates that dispersive PTCs offer novel excitation channels and amplification possibilities, that require lower modulation frequencies compared to nondispersive systems thus alleviating experimental challenges for the realization of PTCs in the optical regime. These findings pave the way for advancements in polaritonic lasing and resonant Raman scattering.

Classical optics↗

Robustness and Eventual Slow Decay of Bound States of Interacting Microwave Photons in the Google Quantum AI Experiment

Integrable models are characterized by the existence of stable excitations that can propagate indefinitely without decaying. This includes multimagnon bound states in the celebrated 𝑋⁢𝑋⁢𝑍 spin-chain model and its integrable Floquet counterpart. A recent Google Quantum AI experiment [A. Morvan et al., Nature 612, 240 (2022)] realizing the Floquet model has demonstrated the persistence of such collective excitations even when the integrability is broken: this observation is at odds with the expectation of ergodic dynamics in generic nonintegrable systems. Here, we study the spectrum of the model realized in the experiment using exact diagonalization and physical arguments. We find that isolated bands corresponding to the descendants of the exact bound states of the integrable model are clearly observable in the spectrum for a large range of system sizes. However, our numerical analysis of the localization properties of the eigenstates suggests that the bound states become unstable in the thermodynamic limit. A perturbative estimate of the decay rate agrees with the prediction of an eventual instability for large system sizes.

Exact diagonalization↗

Energy Paths for the Yurok People

The Yurok Tribe has been working for more than two decades to bring adequate, cost-effective energy services to their Tribal members. With the completion of the electric line extension to Wautec, they are well on their way to an effective and sustainable energy future. However, there is still much work to be done; many Tribal households in the Upper Reservation are still without reliable, affordable electric power. Now the Tribe needs to determine the next steps to realize their energy vision. This Yurok Tribe energy strategic planning study examined electricity usage, costs and infrastructure, as well as electricity needs on the Reservation. It also assessed the Tribe’s energy resources. Equipped with this information, the project team conducted an energy options analysis that examined different project opportunities and identified key projects that are both feasible to implement and will help the Tribe reach its stated Energy Vision. There are still numerous households in the Upper Reservation and adjacent lands that are without grid electric power, and it is likely that most of them will remain disconnected from the grid because of their remoteness. To provide these community members with reliable, affordable, modern energy services their homes will need to be electrified via a robust off-grid energy services program that installs and maintains off-grid energy systems. This is the key need that is explored and addressed in this plan.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗