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At least 1,423 records · Page 79

“Antenna-like” Light-Harvesting in Partially Metalated Porphyrin Hydrogen-Bonded Organic Frameworks

Arrays of light harvesting molecules with long-range order hold promise as materials capable of efficient collection of photons as well as rapid transport of captured solar energy to chemical catalysts. Hydrogen-bonded organic frameworks (HOFs) could be promising artificial light-harvesting platforms, due to their crystalline nature and their comparative ease of synthesis. In this work, mixed-linkers of either zinc-metallated or free base tetrakis(4-carboxyphenyl)porphyrin HOFs were examined and found to demonstrate ‘antenna-like’ light harvesting behavior. Using time-resolved emission spectroscopy, Förster resonance energy transfer from zinc porphyrin to free-base porphyrin was assessed. Based on changes in the emission peak profile as the ratio of zinc porphyrin to free-base porphyrin is varied, we find that, in the limit of 100% zinc porphyrin, a photogenerated exciton can sample ~48 chromophores. These findings suggest that stacked linkers within HOFs can act as light harvesting ‘antennae’ and with encapsulation of suitable catalysts, may offer prospective application as photochemical energy conversion systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Algorithm-Driven Advances for Scientific CT Instruments: From model-based to deep learning-based approaches

Multiscale 3D characterization is widely used by materials scientists to further their understanding of the relationships between microscopic structure and macroscopic function. Scientific computed tomography (SCT) instruments are one of the most popular choices for 3D nondestructive characterization of materials at length scales ranging from the angstrom scale to the micron scale. These instruments typically have a source of radiation (such as electrons, X-rays, or neutrons) that interacts with the sample to be studied and a detector assembly to capture the result of this interaction (see Figure 1 ). A collection of such high-resolution measurements is made by reorienting the sample, which is mounted on a specially designed stage/holder after which reconstruction algorithms are used to produce the final 3D volume of interest. The specific choice of which instrument to use depends on the desired resolution and properties of the materials being imaged. Additionally, the end goal of SCT scans includes determining the morphology, chemical composition, or dynamic behavior of materials when subjected to external stimuli. In summary, SCT instruments are powerful tools that enable 3D characterization across multiple length scales and play a critical role in furthering the understanding of the structure–function relationships of different materials.

42 ENGINEERING↗

On the Statistics of Elsasser Increments in Solar Wind and Magnetohydrodynamic Turbulence

In this Letter we investigate the dependency with scale of the empirical probability distribution functions (PDF) of Elsasser increments using large sets of WIND data (collected between 1995 and 2017) near 1 au. The empirical PDF are compared to the ones obtained from high-resolution numerical simulations of steadily driven, homogeneous reduced MHD turbulence on a 2048 3 rectangular mesh. A large statistical sample of Alfvénic increments is obtained by using conditional analysis based on the solar wind average properties. The PDF tails obtained from observations and numerical simulations are found to have exponential behavior in the inertial range, with an exponential decrement that satisfies power laws of the form α l ∝ l –μ , where l is the scale size, with μ between 0.17 and 0.25 for observations and 0.43 for simulations. PDF tails were extrapolated assuming their exponential behavior extends to arbitrarily large increments in order to determine structure function scaling laws at very high orders. Our results point to potentially universal scaling laws governing the PDF of Elsasser increments and to an alternative approach to investigate high-order statistics in solar wind observations.

79 ASTRONOMY AND ASTROPHYSICS↗

The role of orbital dynamics and cloud-cloud collisions in the formation of giant molecular clouds in global spiral structures

The role of orbit crowding and cloud-cloud collisions in the formation of GMCs and their organization in global spiral structure is investigated. Both N-body simulations of the cloud system and a detailed analysis of individual particle orbits are used to develop a conceptual understanding of how individual clouds participate in the collective density response. Detailed comparisons are made between a representative cloud-particle simulation in which the cloud particles collide inelastically with one another and give birth to and subsequently interact with young star associations and stripped down simulations in which the cloud particles are allowed to follow ballistic orbits in the absence of cloud-cloud collisions or any star formation processes. Orbit crowding is then related to the behavior of individual particle trajectories in the galactic potential field. The conceptual picture of how GMCs are formed in the clumpy ISMs of spiral galaxies is formulated, and the results are compared in detail with those published by other authors.

Roberts, William W., Jr.↗

An empirical approach to predicting long term behavior of metal particle based recording media

Alpha iron particles used for magnetic recording are prepared through a series of dehydration and reduction steps of alpha-Fe2O3-H2O resulting in acicular, polycrystalline, body centered cubic (bcc) alpha-Fe particles that are single magnetic domains. Since fine iron particles are pyrophoric by nature, stabilization processes had to be developed in order for iron particles to be considered as a viable recording medium for long term archival (i.e., 25+ years) information storage. The primary means of establishing stability is through passivation or controlled oxidation of the iron particle's surface. Since iron particles used for magnetic recording are small, additional oxidation has a direct impact on performance especially where archival storage of recorded information for long periods of time is important. Further stabilization chemistry/processes had to be developed to guarantee that iron particles could be considered as a viable long term recording medium. In an effort to retard the diffusion of iron ions through the oxide layer, other elements such as silicon, aluminum, and chromium have been added to the base iron to promote more dense scale formation or to alleviate some of the non-stoichiometric behavior of the oxide or both. The presence of water vapor has been shown to disrupt the passive layer, subsequently increasing the oxidation rate of the iron. A study was undertaken to examine the degradation in magnetic properties as a function of both temperature and humidity on silicon-containing iron particles between 50-120 deg C and 3-89 percent relative humidity. The methodology to which experimental data was collected and analyzed leading to predictive capability is discussed.

Hadad, Allan S.↗

The Aviation System Analysis Capability Air Carrier Cost-Benefit Model

To meet its objective of assisting the U.S. aviation industry with the technological challenges of the future, NASA must identify research areas that have the greatest potential for improving the operation of the air transportation system. Therefore, NASA is developing the ability to evaluate the potential impact of various advanced technologies. By thoroughly understanding the economic impact of advanced aviation technologies and by evaluating how the new technologies will be used in the integrated aviation system, NASA aims to balance its aeronautical research program and help speed the introduction of high-leverage technologies. To meet these objectives, NASA is building the Aviation System Analysis Capability (ASAC). NASA envisions ASAC primarily as a process for understanding and evaluating the impact of advanced aviation technologies on the U.S. economy. ASAC consists of a diverse collection of models and databases used by analysts and other individuals from the public and private sectors brought together to work on issues of common interest to organizations in the aviation community. ASAC also will be a resource available to the aviation community to analyze; inform; and assist scientists, engineers, analysts, and program managers in their daily work. The ASAC differs from previous NASA modeling efforts in that the economic behavior of buyers and sellers in the air transportation and aviation industries is central to its conception. Commercial air carriers, in particular, are an important stakeholder in this community. Therefore, to fully evaluate the implications of advanced aviation technologies, ASAC requires a flexible financial analysis tool that credibly links the technology of flight with the financial performance of commercial air carriers. By linking technical and financial information, NASA ensures that its technology programs will continue to benefit the user community. In addition, the analysis tool must be capable of being incorporated into the wide-ranging suite of economic and technical models that comprise ASAC. This report describes an Air Carrier Cost-Benefit Model (CBM) that meets these requirements. The ASAC CBM is distinguished from many of the aviation cost-benefit models by its exclusive focus on commercial air carriers. The model considers such benefit categories as time and fuel savings, utilization opportunities, reliability and capacity enhancements, and safety and security improvements. The model distinguishes between benefits that are predictable and those that occur randomly. By making such a distinction, the model captures the ability of air carriers to reoptimize scheduling and crew assignments for predictable benefits. In addition, the model incorporates a life-cycle cost module for new technology, which applies the costs of nonrecurring acquisitions, recurring maintenance and operation, and training to each aircraft equipment type independently.

Gaier, Eric M.↗

Understanding Skill in EVA Mass Handling: An Integrated Methodology for Evaluating Space Suit Mobility and Stability - Volume 4

The empirical investigation of extravehicular activity (EVA) mass handling conducted on NASA's Precision Air-Bearing Floor led to a Phase I SBIR from JSC. The purpose of the SBIR was to design an innovative system for evaluating space suit mobility and stability in conditions that simulate EVA on the surface of the Moon or Mars. The approach we used to satisfy the Phase I objectives was based on a structured methodology for the development of human-systems technology. Accordingly the project was broken down into a number of tasks and subtasks. In sequence, the major tasks were: 1) Identify missions and tasks that will involve EVA and resulting mobility requirements in the near and long term; 2) Assess possible methods for evaluating mobility of space suits during field-based EVA tests; 3) Identify requirements for behavioral evaluation by interacting with NASA stakeholders;.4) Identify necessary and sufficient technology for implementation of a mobility evaluation system; and 5) Prioritize and select technology solutions. The work conducted in these tasks is described in this final volume of the series on EVA mass handling. While prior volumes in the series focus on novel data-analytic techniques, this volume addresses technology that is necessary for minimally intrusive data collection and near-real-time data analysis and display.

McDonald, P. Vernon↗

Grid Erosion Modeling of the NEXT Ion Thruster Optics

Results from several different computational studies of the NEXT ion thruster optics are presented. A study of the effect of beam voltage on accelerator grid aperture wall erosion shows a non-monotonic, complex behavior. Comparison to experimental performance data indicates improvements in simulation of the accelerator grid current, as well as very good agreement with other quantities. Also examined is the effect of ion optics choice on the thruster life, showing that TAG optics provide better margin against electron backstreaming than NSTAR optics. The model is used to predict the change in performance with increasing accelerator grid voltage, showing that although the current collected on the accel grid downstream face increases, the erosion rate decreases. A study is presented for varying doubly-ionized Xenon current fraction. The results show that performance data is not extremely sensitive to the current fraction.

Ernhoff, Jerold W.↗

Turbulent Concentration of Chondrules: Size Distribution and Multifractal Scaling

Size-selective concentration of particles in 3D turbulence may be related to collection of chondrules and other constituents into primitive bodies in a weakly turbulent protoplanetary nebula. In the terrestrial planet region, both the characteristic size and narrow size distribution of chondrules are explained, whereas "fluffier" particles would be concentrated in lower density, or more intensely turbulent, regions of the nebula. The spatial distribution of concentrated particle density obeys multifractal scaling, suggesting a dose tie to the turbulent cascade process. This scaling behavior allows predictions of the concentration probabilities to be made in the protoplanetary nebula, which are so large (> 10(exp 3) - 10(exp 4)) that further studies must be made of the role of mass loading.

Cuzzi, Jeffrey N.↗

Systematic Anomalies in Rainfall Intensity Estimates Over the Continental U.S.

Rainfall intensities during extreme events over the continental U.S. are compared for several advanced radar products. These products include: 1) TRMM spaceborne radar (PR) near surface estimates; 2) NOAA Next-Generation Quantitative Precipitation Estimation (QPE) very high-resolution (1 km) radar-only national mosaics (Q2); 3) very high-resolution instantaneous gauge adjusted radar national mosaics, which we have developed by applying gauge correction on the Q2 instantaneous radar-only products; and 4) several independent C-band dual-polarimetric radar-estimated rainfall samples collected with the ARMOR radar in northern Alabama. Though accumulated rainfall amounts are often similar, we find the satellite and the ground radar rain rate pdfs to be quite different. PR pdfs are shifted towards lower rain rates, implying a much larger stratiform/convective rain ratio than do ground radar products. The shift becomes more evident during strong continental convective storms and much less during tropical storms. Resolving the continental/maritime regime behavior and other large discrepancies between the products presents an important challenge. A challenge to improve our understanding of the source of the discrepancies, to determine the uncertainties of the estimates, and to improve remote-sensing estimates of precipitation in general.

Amitai, Eyal↗

NEAR CRITICAL POINT TESTING AND PERFORMANCE RESULTS OF A SCO2 COMPRESSOR FOR A 10MWE BRAYTON CYCLE

Development and commercial acceptance of sCO2 Brayton cycles for power generation applications are growing rapidly as they offer performance advantages over other cycles. To maximize the cycle performance, the compressors are designed to operate near the critical point of the working fluid. At the critical point the fluid properties change rapidly with variations in inlet conditions. This makes it challenging to both accurately predict the performance and guarantee the operability of the compressor, as the behavior is affected by these slight variations in inlet conditions. A full scale 1st stage main compressor for a 10MWe-Class recompression Brayton cycle was built and tested to validate performance and operability in this unique operating range. The compressor was tested in a laboratory environment with additional instrumentation, beyond what is required by PTC-10, to minimize the uncertainty in the measured performance. Complete constant speed characteristics were collected at multiple supercritical points, operating at constant inlet conditions for each speed line covering a range of compressor inlet densities from 400 to 600 kg/m3. Variations in the compressor stage efficiency and choke margin were observed, and the overall operability and stability of the compressor in response to changes in operating condition were also monitored. The compressor was shown to have excellent performance that closely matched the original design prediction. The performance at various inlet conditions showed minimal change in isentropic head coefficient at the design flow, but did show some variation in efficiency and choke margin across the map. These changes in performance were observed to be minimal, and did not affect the stable operation of the compressor. The results demonstrate that a commercial scale sCO2 compressor can operate near the critical point and achieve the high levels of performance and stability required for power generation applications.

pelton, rob↗

1993 Salt Lake City Household Travel Diary Survey

The purpose of the Salt Lake City Household Travel Diary Survey was to gather detailed information about current travel habits in Utah, to serve as the basis for future travel modeling activities, and to inform regional and statewide transportation planning. The survey sampled residents from Weber, Davis, Salt Lake, and Utah counties only. Along with travel data, the survey collected demographic and socioeconomic characteristics for 3,082 households and 8,333 participants.

1Hz data↗

Characterization of commercial vehicles’ start-up operations from in-use data

Diesel engines produce disproportionate levels of emissions when the engine and after-treatment systems are operating at low temperatures. This situation arises most commonly when the vehicle is first started after overnight. To quantify emissions attributable to vehicle starts, a sizable collection of on-road commercial vehicle operating data is analyzed to identify start-up events and inspect associated emissions. Data was obtained from the National Renewable Energy Laboratory’s (NREL’s) Fleet DNA and from the Center for Environmental Research & Technology (CE-CERT). Included are 500 + diesel vehicles with more than 42,000 recorded days, drawn from 25 vocational categories across the United States. Analysis shows that vehicle behavior, in terms of engine cold- and warm-operation, starts per day, soak time, and warm-up duration, differs significantly between vehicle vocations. Also, weighting factors for cold- and hot-starts currently used in the U.S. Environmental Protection Agency’s Federal Test Procedure (FTP) for heavy-duty emissions certification accurately represent real-world operations. Although the FTP includes a comparable fraction of cold operation, the hot fraction is much shorter than real-world operation due to limited test duration. The investigation also revealed that real-world engines operate for a significant amount of time when the engine coolant is in the “hot-stabilized” region, but the selective catalytic reduction (SCR) temperature is below its effective operating temperature of 200 °C. Of the vehicles under investigation, almost 20% of their operational time is within this condition. Therefore, novel approaches to raise and maintain SCR temperature are highly required to further reduce engine emissions.

33 ADVANCED PROPULSION SYSTEMS↗

Reciprocity relations in a biologically inspired nanomagnonic system with dipolar coupling

In this study, magnetosome chains in magnetotactic bacteria present ideal nanomagnonic model systems for studying collective resonance modes of dipolar-coupled single domain particles in relation to their spatial arrangement. Using microresonator-based ferromagnetic resonance (FMR) spectroscopy, electron microscopy, and micromagnetic modeling, we here provide insights into the complex magnonic activity within a single magnetosome chain. While the angular dependence of its FMR spectrum is dominated by twofold symmetry features due to the uniaxial anisotropy of linear chain segments, we also observed an unexpected behavior such as interrupted lines and flat bands due to the intricate geometrical details of this particular chain, such as a cross-like structural anomaly where a pair of particles is oriented perpendicular to the main axis of the chain and thus breaks the prevailing axial dipolar coupling symmetry. Such a cross junction formed by four particles exhibits interesting magnonic network properties. Notably, we observe reciprocity in the sense that the spectral response of one particle to an excitation of another one is identical to the response of the latter given an excitation of the former. Furthermore, we have identified that magnonic coupling between A and B can be facilitated via a dark state, as in magnonic stimulated Raman adiabatic passage, and that this dark-state coupling can be made non-reciprocal between A and B by breaking the symmetry of the spatial arrangement of the four particles.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Time-resolved unsteady shock motion and spectral analysis of a hypersonic shock-wave/boundary-layer interaction over a double-cone

Direct experimental measurements of double-cone shock-wave/boundary-layer interaction dynamics at Mach 7.2 were collected using a schlieren-based shock-detection algorithm at the University of Texas at San Antonio. The points of flow separation and reattachment were spatially and spectrally evaluated at 300 kHz for time-resolved characterization of the unsteadiness of this flow field. The separation bubble was found to rapidly expand and contract about a large mean length. Spectral analysis of the velocity fluctuations of this motion revealed this behavior to be a turbulent phenomenon, with spectral energy trends consistent with the Kolmogorov theory for the turbulent energy cascade.

Glasby, Ryan [ORNL]↗

Directional Superradiance in a Driven Ultracold Atomic Gas in Free Space

Ultracold atomic systems are among the most promising platforms that have the potential to shed light on the complex behavior of many-body quantum systems. One prominent example is the case of a dense ensemble illuminated by a strong coherent drive while interacting via dipole-dipole interactions. Despite being subjected to intense investigations, this system retains many open questions. A recent experiment carried out in a pencil-shaped geometry [Ferioli Nat. Phys. 19, 1345 (2023)] has reported measurements that have seemed consistent with the emergence of strong collective effects in the form of a “superradiant” phase transition in free space, when looking at the light-emission properties in the forward direction. Motivated by the experimental observations, we carry out a systematic theoretical analysis of the steady-state properties of the system as a function of the driving strength and atom number N . We observe signatures of collective effects in the weak-driving regime, which disappear with increasing drive strength as the system evolves into a single-particle-like mixed state comprised of randomly aligned dipoles. Although the steady state features some similarities to the reported superradiant-to-normal nonequilibrium transition, also known as cooperative resonance fluorescence, we observe significant qualitative and quantitative differences, including a different scaling of the critical drive parameter (from N to N ). We validate the applicability of a mean-field treatment to capture the steady-state dynamics under currently accessible conditions. Furthermore, we develop a simple theoretical model that explains the scaling properties by accounting for interaction-induced inhomogeneous effects and spontaneous emission, which are intrinsic features of interacting disordered arrays in free space. Published by the American Physical Society 2024

Agarwal, Sanaa (ORCID:0000000336863804)↗

Temporal deposition of copper and zinc in the sediments of metal removal constructed wetlands

The objective of this study was to explore the effects of time, seasons, and total carbon (TC) on Copper (Cu) and Zinc (Zn) deposition in the surface sediments. This study was performed at the H-02 constructed wetland on the Savannah River Site (Aiken, SC, USA). Covering both warm (April-September) and cool (October-March) seasons, several sediment cores were collected twice a year from the H-02 constructed wetland cells from 2007 to 2013. Total concentrations of Cu and Zn were measured in the sediments. Concentrations of Cu and Zn (mean ± standard deviation) in the surface sediments over 7 years of operation increased from 6.0 ± 2.8 and 14.6 ± 4.5 mg kg -1 to 139.6 ± 87.7 and 279.3 ± 202.9 mg kg -1 dry weight, respectively. The linear regression model explained the behavior and the variability of Cu deposition in the sediments. On the other hand, using the generalized least squares extension with the linear regression model allowed for unequal variance and thus produced a model that explained the variance properly, and as a result, was more successful in explaining the pattern of Zn deposition. Total carbon significantly affected both Cu ( p = 0.047) and Zn ( p < 0.001). Time effect on Cu deposition was statistically significant ( p = 0.013), whereas Zn was significantly affected by the season ( p = 0.009).

54 ENVIRONMENTAL SCIENCES↗

Ballistic Electron Emission Microscopy of Metal/Group IV Interfaces

Ballistic electron emission microscopy and spectroscopy, together with related techniques, have been applied with great success to the study of buried interfaces. These probes, known collectively as BEEM, have yielded important information on interface transport, interface band structure, and carrier scattering, with lateral spatial resolution on the nanometer scale. Recent applications of the technique to polycrystalline metal/semiconductor interfaces have demonstrated an ability to spatially map both conduction band and valence band semiconductor structure. BEEM studies of epitaxial silicide/silicon interfaces have been particularly fruitful, as the rich silicide band structure results in complex and often surprising transport behavior...

Hecht, M. H.↗