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At least 757 records · Page 42

FAIR Data and Interpretable AI Framework for Architectured Metamaterials (Final Report)

This research program established a transformative framework for the discovery and design of mechanical metamaterials, which are architected structures engineered to control physical phenomena like sound and vibration in ways natural materials cannot. To overcome the traditional reliance on trial-and-error, the project developed an interpretable Artificial Intelligence (AI) framework that moves beyond "black box" models to reveal the specific geometric patterns—such as "unit-cell templates"—that govern a material’s performance. A major breakthrough was the development of a hierarchical design method, which allows a single material to block vibrations across multiple frequency ranges simultaneously by layering patterns at different scales without them interfering with one another. This was further expanded to include irregular, graph-based designs that use spanning tree algorithms to ensure structural connectivity while allowing for customized, direction-dependent properties like stiffness and acoustic impedance. Beyond design, the project addressed the practicalities of real-world production by developing uncertainty quantification techniques that account for manufacturing defects and material variability, reducing the need for expensive physical testing by orders of magnitude. To speed up the discovery process, the team implemented Gaussian Process Regression and other surrogate models that provide accurate performance predictions at a fraction of the traditional computational cost. The AI-generated designs were successfully validated through fabrication of physical samples and wave propagation experiments, confirming their ability to accurately guide or reflect waves as predicted. By contributing these tools and high-quality FAIR benchmark datasets to the wider scientific community, this work provides a scalable foundation for advancing technologies in aerospace vibration control, medical imaging, and noise reduction.

36 MATERIALS SCIENCE↗

Analysis of near-field Cassegrain reflector - Plane wave versus element-by-element approach

A near-field Cassegrain reflector (NFCR) is an effective way to magnify a small phased array into a much larger-aperture antenna for limited scan applications. Traditionally the pattern analysis of NFCR is based on a plane wave approach, which simplifies the computation tremendously, but fails to provide design information about the most critical component of the whole antenna system, the feed array. Currently available computers make it possible to calculate the pattern of an NFCR by a more exact element-by-element approach. Each element in the feed array is considered individually, and the diffraction pattern from the subreflector is calculated by the geometrical theory of diffraction (including uniform theories at the shadow boundaries). The field contributions from all elements are superimposed at the curved main reflector surface, and a physical-optics integration is performed to obtain the secondary pattern.

Houshmand, Bijan↗

Ferritin-Templated Quantum-Dots for Quantum Logic Gates

Quantum logic gates (QLGs) or other logic systems are based on quantum-dots (QD) with a stringent requirement of size uniformity. The QD are widely known building units for QLGs. The size control of QD is a critical issue in quantum-dot fabrication. The work presented here offers a new method to develop quantum-dots using a bio-template, called ferritin, that ensures QD production in uniform size of nano-scale proportion. The bio-template for uniform yield of QD is based on a ferritin protein that allows reconstitution of core material through the reduction and chelation processes. One of the biggest challenges for developing QLG is the requirement of ordered and uniform size of QD for arrays on a substrate with nanometer precision. The QD development by bio-template includes the electrochemical/chemical reconsitution of ferritins with different core materials, such as iron, cobalt, manganese, platinum, and nickel. The other bio-template method used in our laboratory is dendrimers, precisely defined chemical structures. With ferritin-templated QD, we fabricated the heptagonshaped patterned array via direct nano manipulation of the ferritin molecules with a tip of atomic force microscope (AFM). We also designed various nanofabrication methods of QD arrays using a wide range manipulation techniques. The precise control of the ferritin-templated QD for a patterned arrangement are offered by various methods, such as a site-specific immobilization of thiolated ferritins through local oxidation using the AFM tip, ferritin arrays induced by gold nanoparticle manipulation, thiolated ferritin positioning by shaving method, etc. In the signal measurements, the current-voltage curve is obtained by measuring the current through the ferritin, between the tip and the substrate for potential sweeping or at constant potential. The measured resistance near zero bias was 1.8 teraohm for single holoferritin and 5.7 teraohm for single apoferritin, respectively.

Choi, Sang H.↗

TOGA - A GNSS Reflections Instrument for Remote Sensing Using Beamforming

Remotely sensing the Earth's surface using GNSS signals as bi-static radar sources is one of the most challenging applications for radiometric instrument design. As part of NASA's Instrument Incubator Program, our group at JPL has built a prototype instrument, TOGA (Time-shifted, Orthometric, GNSS Array), to address a variety of GNSS science needs. Observing GNSS reflections is major focus of the design/development effort. The TOGA design features a steerable beam antenna array which can form a high-gain antenna pattern in multiple directions simultaneously. Multiple FPGAs provide flexible digital signal processing logic to process both GPS and Galileo reflections. A Linux OS based science processor serves as experiment scheduler and data post-processor. This paper outlines the TOGA design approach as well as preliminary results of reflection data collected from test flights over the Pacific ocean. This reflections data demonstrates observation of the GPS L1/L2C/L5 signals.

GPS↗

Near-Horizontal, Two-Phase Flow Patterns of Nitrogen and Hydrogen at Low Mass Heat and Flux (on CD-ROM)

One reason for NASA's interest in cryogenic two-phase flow with low mass and heat flux is the need to design spacecraft heat exchangers used for vaporizing cryogenic propellants. The CD-ROM provides digitized movies of particular flow patterns observed in experimental work. The movies have been provided in (QuickTime9Trademark) format, encoded at 320w x 240h pixels, 15 fps, using the Sorenson(Trademark) Video Codec for compression. Experiments were conducted to obtain data on the two-phase (liquid and vapor) flow behavior of cryogenic nitrogen and hydrogen under low mass and heat flux conditions. Tests were performed in normal gravity with a 1.5 degree up flow configuration. View ports in the apparatus permitted visual observation of the two-phase flow patterns. Computer codes to predict flow patterns were developed from theoretical/empirical models reported in the literature. Predictions from the computer codes were compared with experimental flow pattern observations. Results are presented employing the traditional two-dimensional flow pattern map format using the liquid and gas superficial velocities as coordinates. In general, the agreement between the experimental results and the analytical predictive methods is reasonably good. Small regions of the flow pattern maps are identified where the models are deficient as a result of neglecting phase change phenomena. Certain regions of the maps were beyond the range of the experiments and could not be completely validated. Areas that could benefit from further work include modeling of the transition from separated flow, collection of additional data in the bubble and annular flow regimes, and collection of experimental data at other inclination angles, tube diameters and high heat flux.

TWO PHASE FLOW↗

NREL's HydroGEN Photoreactor Platform Design and Characterization

This technical report details the design, fabrication, and construction of a flow-through photoreactor developed at The National Renewable Energy Laboratory (NREL). The photoreactor is designed to facilitate indoor or outdoor testing on photoelectrochemical or integrated solar water splitting devices. The photoreactor design described here is based on a previous demonstration. The photoreactor version described herein contains several advanced design features that include: 1) Chassis-chuck two-part design, 2) Separable counter electrode compartments (here, the counter electrodes are anodes), 3) Reduced electrode separation to reduce electrolyte resistance, 4) Improved flow pattern for bubble removal, 5) Mounting for spectroradiometer receptor, 6) Fresnel lens and collimating tube attachments. The photoreactor presented here was designed primarily to accommodate photocathode materials in an illuminated compartment and a dark anode as the oxygen evolution catalyst. The build materials were thus chosen to for acid electrolyte compatibility. Other embodiments could accommodate a photoanode with dark hydrogen evolution catalyst and other build materials for alkaline compatibility.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Uncovering electronic and geometric descriptors of chemical activity for metal alloys and oxides using unsupervised machine learning

Here, we show that unsupervised machine learning (ML) using principal component analysis (PCA) provides a straightforward pathway for developing accurate and interpretable electronic-structure descriptors of the chemical and catalytic properties of materials. We demonstrate the approach by finding chemisorption descriptors for metal alloys and surface oxygens on metals and metal oxides. In both cases, the principal component (PC) descriptors yield ML models that predict the material’s chemical properties with competitive accuracy compared to ML models built using established descriptors. Importantly, interpreting the electronic-structure patterns captured by each PC descriptor via signal reconstruction suggests potential design motifs for future electronic-structure descriptor design and allows us to identify links between a material’s geometric and catalytic properties. Ultimately, we show that the unsupervised ML approach provides a route to find electronic-structure descriptors of the catalytic properties of materials that readily connect to geometric structure and composition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

How do perceptions of safety and car ownership importance affect autonomous vehicle adoption?

In this study, we explicitly modeled how individuals' perceptions of automated vehicle (AV) safety and the importance they place on car ownership affect mode choices involving conventional and automated vehicles in the context of privately owned cars and ridehailing services. We adopted psychometric questions to capture these two latent variables and designed a stated preference survey based on the participants' actual travel patterns. Then, we quantified the impact of these latent variables on mode choices using an integrated choice and latent variable (ICLV) model. We found that both latent variables have a statistically significant effect on mode choices. The results show that car ownership importance has the most potent effect on privately owned cars (conventional car and self-driving car), followed by driverless ridehailing and conventional ridehailing. We also found that changes in safety perception are equivalent to sizable changes in price. In addition, we further investigated the impact of improvements in safety perception through four scenarios. The scenario testing results show that as the distribution of perceived safety is compressed toward positive safety perception, the market share of AVs spikes and dominates regular cars. Our results demonstrate that based on our respondents' current understanding of AVs, even if AV prices were comparable to regular cars, we cannot expect widespread use of AVs. However, improvements in AVs' safety and, consequently, consumer safety perception can considerably expand AVs' market share, and may offset the high cost of using the technology.

33 ADVANCED PROPULSION SYSTEMS↗

Synthesis and characterization of 5,15-bis(hydroxymethyl)porphyrins – simple compounds distantly inspired by the chlorosomal bacteriochlorophylls

A self-assembly paradigm is provided in green photosynthetic bacteria by the chlorin macrocycle bacteriochlorophyll (BChl) c, which contains a 3-(1-hydroxyethyl) substituent, central magnesium ion, and 13-keto group. The assembled BChl c structure is a powerful light-harvesting apparatus that can support life even under extreme low-light conditions. Here, inspired by the work of Balaban, two far simpler porphyrins have been synthesized, 5,15-bis(hydroxymethyl)-10,20-diphenylporphinatozinc(II) (Ph/CH 2 OH) and 5,15-bis(hydroxymethyl)porphinatozinc(II) (H/CH 2 OH), and analogues wherein ethyl replaces hydroxymethyl (Ph/Et and H/Et). Examination of Ph/CH 2 OH and H/CH 2 OH by time-resolved spectroscopy showed an ∼2-fold enhancement in the singlet excited-state lifetime compared to meso-tetraphenylporphinatozinc(II) (ZnTPP). The single-crystal X-ray diffraction revealed distinct packing patterns. Porphyrin Ph/CH 2 OH exhibited double staircases wherein (1) each zinc is pentacoordinate (by apical coordination of one hydroxymethyl group of a porphyrin in the same staircase), (2) the second hydroxymethyl group is hydrogen-bonded to an apically coordinated hydroxymethyl oxygen atom in the adjacent staircase, (3) the porphyrins in a given staircase are coplanar but cofacially offset with each other, and (4) the adjacent staircases are oriented approximately 72° relative to each other. Porphyrin H/CH 2 OH assembled wherein (1) each zinc is hexacoordinate by ligation of hydroxymethyl moieties, (2) each hydroxymethyl –OH is hydrogen-bonded with an acetonitrile solvent molecule in the lattice, and (3) the planes of the four nearest neighbor porphyrins are essentially perpendicular to a given porphyrin. Study of the solid-state packing patterns of sparsely substituted porphyrins enables insights into how the structural design of tetrapyrroles can guide their aggregate self-assembly.

Tran, Vy-Phuong [North Carolina State University, ↗

Bridge connectivity effects on photoinduced ground-state electron spin polarization

Transient electron paramagnetic resonance (TREPR) spectroscopy has been used to probe photoinduced electron spin polarization in the recovered ground states of four radical-elaborated (CAT)Pt(bpy) donor-acceptor complexes (CAT = catechol; bpy = 4,4'-di-tert-butyl-2,2'-bipyridine). These complexes are comprised of one or two S = 1/2 nitronyl nitroxide radicals attached through different phenylethynyl bridges to the 3- or 3,6 positions of the CAT donor. In this paper, we demonstrate the effects of substitution patterns on the magnitude of the TREPR signal, thereby guiding future design principles for generating and understanding the origin of photoinduced electron spin polarization in these and related chromophores.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Potential bill impacts of dynamic electricity pricing on California utility customers

The rapid growth of renewable generation is creating challenges for the California grid in the form of the “duck curve,” with increasingly steep ramping required for conventional generation resources in the morning and evening, and growing curtailment of solar resources in midday periods. Time-varying electricity tariffs have received considerable attention as a tool to address these challenges, with a renewed recent focus on the potential for dynamic tariffs that vary to reflect conditions on the grid in near-real time. Consideration of dynamic tariffs may raise concerns about the financial impact on utility customers, especially for those who have limited flexibility to modify their electricity consumption in response. Specific areas of concern include electricity bills, bill volatility, and equity implications related to cost shifting among customer groups. In this paper we leverage smart meter data for more than 400,000 California utility customers, spanning residential, commercial, industrial, and agricultural customers, to assess potential customer bill impacts arising from a multi-component dynamic tariff . Specifically, we compute impacts on customer bills and bill volatility under the assumption of fully inelastic demand, i.e., where customers do not change their consumption patterns in response to the tariff. We also assess various approaches designing subscription load shapes that customers can pre-purchase as a hedge that may provide a measure of protection against large negative impacts, while still incentivizing the modification of loads on the margin. We compare and contrast the relative impacts on different customer classes and discuss benefits and pitfalls of different dynamic tariff structures and subscription load shapes.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Use of National Centers for Environmental Prediction (NCEP) Data to Support Severe Accident Consequence Analysis at Locations Without Onsite Meteorological Data

Certain regulatory actions under 10 CFR Parts 50, 52, or the proposed part 53 require the assessment of the potential off-site consequence risks to public safety and the environment from a hypothetical severe accident. As an important part of these analyses, atmospheric transport and dispersion (ATD) modeling relies heavily on the prevailing weather patterns of a site. When considering future deployment of new reactor designs in areas where historical onsite meteorological data is not available,

54 ENVIRONMENTAL SCIENCES↗

Recent advances in radar applications to agriculture

A series of remote radar sensing studies are summarized. These efforts comprise geoscience interpretations of such complex phenomena as those manifested in agricultural patterns. Considered are basic remote sensing needs in agriculture and the design and implementation of radar keys in the active microwave region as well as fine resolution radar imagery techniques for agriculture determinations and soil mapping.

Morain, S. A.↗

Study of repeater technology for advanced multifunctional communications satellites

Investigations are presented concerning design concepts and implementation approaches for the satellite communication repeater subsystems of advanced multifunctional satellites. In such systems the important concepts are the use of multiple antenna beams, repeater switching (routing), and efficient spectrum utilization through frequency reuse. An information base on these techniques was developed and tradeoff analyses were made of repeater design concepts, with the work design taken in a broad sense to include modulation beam coverage patterns. There were five major areas of study: requirements analysis and processing; study of interbeam interference in multibeam systems; characterization of multiple-beam switching repeaters; estimation of repeater weight and power for a number of alternatives; and tradeoff analyses based on these weight and power data.

Source record↗

Room-temperature-operation visible-emission semiconductor diode lasers

There were two main approaches taken to develop shorter wavelength lasers. (1) Based on (AlGa)As and liquid-phase epitaxy, significant new results were obtained: Properties of these laser diodes (power output, spectra, and beam patterns), materials considerations, laser theory, and growth problems are discussed. The design of (AlGa)As layers is discussed from the vertical point of view, and various design curves are given. Horizontal structural requirements are also discussed. Experimental results from measurements done as a function of hydrostatic pressure are correlated with other results. (2) The first heterojunction laser structures using GaAs sub l-x P sub x and In sub y Ga sub l-y P at compositions, where the lattice constants are matched, were grown using vapor-phase growth technology and are described in detail, including experimental device results. Threshold current densities from 3,000 to 5,000 A per sq cm. and emission wavelengths from 6,520 A to 6,640 A were obtained at 77 K. The limiting factor in these devices is nonradiative recombination at the heterojunctions. Life tests on facet-coated (AlGa)As CW diodes are reported.

Ladany, I.↗

Further analysis of SAS 3 observations of the rapid burster /MXB 1730-335/

SAS 3 observations of the rapid burster MXB 1730-335 are analyzed with specific reference to the rapidly repetitive type II bursts and also the type I bursts. It is found that: (1) there are two stable patterns in the recurrence of the rapidly repetitive type II bursts, designated modes I and II; (2) the range of type II burst energies is a factor of about 100 for mode I and a factor of about 10 for mode II; (3) type II burst spectra are best fitted by a blackbody of constant temperature (of the order of 18 million K), constant column density, and decreasing intensity; and (4) type I bursts are best fitted by a blackbody spectrum with decreasing temperature (approximately 24 million K during the first few seconds and 16 million K about 10 sec later). The spectral fits for both types of burst are shown to yield sizes for the emission region comparable to the radius of a neutron star. A model for the rapid burster is suggested.

Marshall, H. L.↗

High-gain backup antenna design for Pioneer Venus Orbiter spacecraft

The development and performance is described of a high-gain antenna designed to serve on the Pioneer Venus Orbiter spacecraft as a backup to the principal high-gain antenna unit in the unlikely event the mechanically despun antenna mechanism malfunctioned. The final design, a center-fed standing wave array of six sleeve dipoles enclosed in a fiber glass radome, performed successfully, as did all the antennas, on the Pioneer Orbiter spacecraft which was launched on May 20, 1978, as part of the Pioneer Venus mission. Photographs of experimental models giving details of design and construction are included, as well as graphs showing measured pattern and impedance matching characteristics of the subject antenna.

Glaser, J. I.↗