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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 217 records · Page 12

Sequential lateral solidification of silicon thin films on low-k dielectrics for low temperature integration

We present the excimer laser crystallization of amorphous silicon on a low dielectric constant (low-k) insulator for very large scale integration monolithic 3D integration and demonstrate that low dielectric constant materials are suitable substrates for 3D integration through laser crystallization of silicon thin films. We crystallized 100 nm amorphous silicon on top of SiO{sub 2} and SiCOH (low-k) dielectrics, at different material thicknesses (1 μm, 0.75 μm, and 0.5 μm). The amorphous silicon crystallization on low-k dielectric requires 35% less laser energy than on an SiO{sub 2} dielectric. This difference is related to the thermal conductivity of the two materials, in agreement with one dimensional simulations of the crystallization process. We analyzed the morphology of the material through defect-enhanced microscopy, Raman spectroscopy, and X-ray diffraction analysis. SEM micrographs show that polycrystalline silicon is characterized by micron-long grains with an average width of 543 nm for the SiO{sub 2} sample and 570 nm for the low-k samples. Comparison of the Raman spectra does not show any major difference in film quality for the two different dielectrics, and polycrystalline silicon peaks are closely placed around 517 cm{sup −1}. From X-ray diffraction analysis, the material crystallized on SiO{sub 2} shows a preferential (111) crystal orientation. In the SiCOH case, the 111 peak strength decreases dramatically and samples do not show preferential crystal orientation. A 1D finite element method simulation of the crystallization process on a back end of line structure shows that copper (Cu) damascene interconnects reach a temperature of 70 °C or lower with a 0.5 μm dielectric layer between the Cu and the molten Si layer, a favorable condition for monolithic 3D integration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Controlled modulation of hard and soft X-ray induced tunneling currents utilizing coaxial metal-insulator-metal probe tips

Here, the effect of a local external electric field on the barrier potential of a tunneling gap is studied utilizing an emerging technique, synchrotron x-ray scanning tunneling microscopy. Here, we demonstrate that the shape of the potential barrier in the tunneling gap can be altered by a localized external electric field, generated by voltages placed on the metallic outer shield of a nanofabricated coaxial metal-insulator-metal tip, resulting in a controlled linear modulation of the tunneling current. Experiments at hard and soft x-ray synchrotron beamlines reveal that both the chemical contrast and magnetic contrast signals measured by the tip can be drastically enhanced, resulting in improved local detection of chemistry and magnetization at the surface.

36 MATERIALS SCIENCE↗

X-ray magnetic circular dichroism and near-edge X-ray absorption fine structure of buried interfacial magnetism measured by using a scanning tunneling microscope tip

Magnetism at buried interfaces plays a crucial role in many emerging phenomena, but detection of interfacial magnetism in close proximity to a surface with elemental and chemical sensitivity is a challenging task. Here, we use a low temperature synchrotron x-ray scanning tunneling microscopy to investigate x-ray magnetic circular dichroism and near edge x-ray absorption fine structure of La 0.67 Sr 0.33 MnO 3 -LaNiO 3 superlattices in the absence of a magnetic field. In stark contrast to the weak magnetic signal of Mn when the La 0.67 Sr 0.33 MnO 3 layers are located on top, a robust x-ray magnetic circular dichroism signal is detected when they are buried underneath the LaNiO 3 layers. The near edge x-ray absorption fine structure reveals the valence states of the manganese while the oxygen K- edge x-ray absorption spectra show an increase in hole formation indicating a cogent charge transfer at the LaNiO 3 /La 0.67 Sr 0.33 MnO 3 interface. This work demonstrates that scanning tunneling microscopy can be extended to the synchrotron X-ray study of buried interfaces by controlling the sample-tip (e.g., detector) separation in the nanometer regime. The close sample-tip proximity further provides a path toward probing of small lateral areas with zero-field measurements in multi-domain samples.

36 MATERIALS SCIENCE↗

Amplified spontaneous emission from europium-based molecular complexes coupled to photonic crystal cavities

Rare-earth ion-based materials bear many remarkable optical properties that render them highly appealing for lighting and quantum-related applications. However, their small oscillator strength and weak emission often pose limitations. Here, in this work, we synthesize and couple Eu(III)-based molecular complexes to nanobeam photonic crystals supporting air modes. A reasonable spatial overlap between the molecular complexes and cavity modes leads to an average spontaneous emission coupling efficiency of 0.19. Our pump power-dependent photoluminescence measurements evidence amplified spontaneous emission from the molecular complexes with an amplification threshold as low as 4.4 W/cm 2 , likely benefiting from the efficient coupling. These findings suggest that integrating rare-earth ion-based molecular complexes with photonic structures could be a viable approach for regulating their emission characteristics for particular applications.

36 MATERIALS SCIENCE↗

Incubating advances in integrated photonics with emerging sensing and computational capabilities

As photonic technologies grow in multidimensional aspects, integrated photonics holds a unique position and continuously presents enormous possibilities for research communities. Applications include data centers, environmental monitoring, medical diagnosis, and highly compact communication components, with further possibilities continuously growing. Herein, we review state-of-the-art integrated photonic on-chip sensors that operate in the visible to mid-infrared wavelength region on various material platforms. Among the different materials, architectures, and technologies leading the way for on-chip sensors, we discuss the optical sensing principles that are commonly applied to biochemical and gas sensing. Our focus is on passive optical waveguides, including dispersion-engineered metamaterial-based structures, which are essential for enhancing the interaction between light and analytes in chip-scale sensors. We harness a diverse array of cutting-edge sensing technologies, heralding a revolutionary on-chip sensing paradigm. Our arsenal includes refractive-index-based sensing, plasmonics, and spectroscopy, which forge an unparalleled foundation for innovation and precision. Furthermore, we include a brief discussion of recent trends and computational concepts, incorporating Artificial Intelligence & Machine Learning (AI/ML) and deep learning approaches over the past few years to improve the qualitative and quantitative analysis of sensor measurements.

Jain, Sourabh (ORCID:0000000279923275)↗

Regulation of FANCD2 and FANCI monoubiquitination by their interaction and by DNA

FANCD2 and FANCI function together in the Fanconi anemia network of deoxyribonucleic acid (DNA) crosslink repair. These proteins form the dimeric ID2 complex that binds DNA and becomes monoubiquitinated upon exposure of cells to DNA crosslinking agents. The monoubiquitinated ID2 complex is thought to facilitate DNA repair via recruitment of specific nucleases, translesion DNA polymerases and the homologous recombination machinery. Using the ubiquitin conjugating enzyme (E2) UBE2T and ubiquitin ligase (E3) FANCL, monoubiquitination of human FANCD2 and FANCI was examined. The ID2 complex is a poor substrate for monoubiquitination, consistent with the published crystal structure showing the solvent inaccessibility of the target lysines. Importantly, FANCD2 monoubiquitination within the ID2 complex is strongly stimulated by duplex or branched DNA, but unstructured singlestranded DNA or chromatinized DNA is ineffective. Interaction of FANCL with the ID2 complex is indispensable for its E3 ligase efficacy. Interestingly, mutations in FANCI that impair its DNA binding activity compromise DNA-stimulated FANCD2 monoubiquitination. Moreover, we demonstrate that in the absence of FANCD2, DNA also stimulates FANCI monoubiquitination, but in a FANCL-independent manner. These results implicate the role of a proper DNA ligand in FANCD2 and FANCI monoubiquitination, and reveal regulatory mechanisms that are dependent on protein–protein and protein–DNA interactions.

59 BASIC BIOLOGICAL SCIENCES↗

Suppression of the commensurate charge density wave phase in ultrathin 1 T - TaS 2 evidenced by Raman hyperspectral analysis

Using temperature-dependent and low-frequency Raman spectroscopy, we address the question of how the transition from bulk to a few atomic layers affects the charge density wave (CDW) phases in 1T-TaS 2 . We find that for crystals with thickness larger than approximate to 10 nm the transition temperatures between the different phases as well as the hysteresis that occurs in the thermal cycle correspond to the ones expected for a bulk sample. However, when the crystals become thinner than approximate to 10 nm, the low-temperature commensurate CDW phases can be suppressed down to the experimentally accessible temperatures (similar to 80 K) upon cooling at moderate rates (similar to 5 K min -1 ). In addition, even the near commensurate CDW phase is not accessible in few-layer flakes below approximate to 4 nm for even slower cooling rates (similar to 1 K min -1 ). Finally, we employ Raman hyperspectral imaging to statistically confirm these findings and consider the interlayer coupling and its dynamics to play significant roles in determining the properties of CDW systems consisting of a few unit cells in the vertical direction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Local X-ray magnetic circular dichroism study of Fe/Cu(111) using a tunneling smart tip

Localized spectroscopy with simultaneous topographic, elemental and magnetic information is presented. A synchrotron X-ray scanning tunneling microscope has been employed for the local study of the X-ray magnetic circular dichroism at the Fe L 2,3 -edges of a thin iron film grown on Cu(111). Polarization-dependent X-ray absorption spectra have been obtained through a tunneling smart tip that serves as a photoelectron detector. In contrast to conventional spin-polarized scanning tunneling microscopy, X-ray excitations provide magnetic contrast even with a non-magnetic tip. Intensity variations in the photoexcited tip current point to chemical variations within a single magnetic Fe domain.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

XTIP – the world's first beamline dedicated to the synchrotron X-ray scanning tunneling microscopy technique

In recent years, there have been numerous efforts worldwide to develop the synchrotron X-ray scanning tunneling microscopy (SX-STM) technique. Here, the inauguration of XTIP, the world's first beamline fully dedicated to SX-STM, is reported. The XTIP beamline is located at Sector 4 of the Advanced Photon Source at Argonne National Laboratory. It features an insertion device that can provide left- or right-circular as well as horizontal- and vertical-linear polarization. XTIP delivers monochromatic soft X-rays of between 400 and 1900 eV focused into an environmental enclosure that houses the endstation instrument. This article discusses the beamline system design and its performance.

47 OTHER INSTRUMENTATION↗

Characterizing physical, chemical, and magnetic properties at the nanoscale

Synchrotron light sources are extremely useful for the characterization of materials in many different research fields (including physics, chemistry, materials science, biology, medicine, geology, and cultural heritage). The evolution of technology, however, currently points toward the miniaturization of devices and molecular motors, as well as the creation (through atomic manipulation) of new materials. This brings an acute necessity for direct chemical imaging of materials, i.e., with the use of x-ray microscopy at the nanometer and atomic length scales.1, 2 Although a variety of new x-ray nanoprobes and x-ray microscopy techniques have been developed in recent years, the spatial resolution of direct chemical or magnetic contrast imaging techniques remains on the order of several nanometers. Invented in the 1980s, scanning tunneling microscopy (STM) allows a large range of materials to be viewed at the atomic level.3 STM also offers a finer degree of spatial resolution than almost any other image technique, but it is chemically ‘blind’ and thus cannot be used alone to directly identify chemical elements on a surface. For many years, researchers have attempted to solve this problem by combining STM with synchrotron x-ray excitations,4–7 and a new technique—known as synchrotron xray scanning tunneling microscopy (SX-STM)—has emerged. In this technique—which combines the chemical sensitivity of xrays with the high spatial resolution of STM—a monochromatic x-ray beam is used to illuminate a tip-sample junction, while the tip makes raster scans across the sample surface. A feedback system maintains a tip–sample separation that is typically less than 1nm. The goal is tomodulate the tunneling current through x-ray excitation and therewith obtain electronic and chemical contrast. It is difficult, however, to achieve real chemical contrast because of three serious issues. First, electrons excited by x-rays do not just tunnel into the tip, but can also be ejected from the sample and hit the sidewalls of the tip detector (which degrades the spatial resolution). Second, because photoejected electrons still provide a deceptive current signal in the far field, the STM feedback system can lift the tip out of the tunneling regime without being noticed. Last, themeasured tip current is always a convolution of the conventional tunnel current (which is related to the sample topography) and the x-ray-excited electrons (which carry the material’s chemical information).

36 MATERIALS SCIENCE↗

Final Technical Report for SISGR: Ultrafast Molecular Scale Chemical Imaging

The Northwestern-Argonne SISGR program utilized newly developed instrumentation and techniques including integrated ultra-high vacuum tip-enhanced Raman spectroscopy/scanning tunneling microscopy (UHV-TERS/STM) and surface-enhanced femtosecond stimulated Raman scattering (SE-FSRS) to advance the spatial and temporal resolution of chemical imaging for the study of photoinduced dynamics of molecules on plasmonically active surfaces. An accompanying theory program addressed modeling of charge transfer processes using constrained density functional theory (DFT) in addition to modeling of SE-FSRS, thereby providing a detailed description of the excited state dynamics. This interdisciplinary and highly collaborative research resulted in 62 publications with ~ 48% of them being co-authored by multiple SISGR team members. A summary of the scientific accomplishments from this SISGR program is provided in this final technical report.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Single Molecule Investigations and Manipulation of Magnetic and Superconducting Molecular Systems on Surfaces (Final Technical Report)

Charge density waves and negative differential resistance are seemingly unconnected physical phenomena. The former is an ordered quantum fluid of electrons, intensely investigated for its relation with superconductivity, while the latter receives much attention for its potential applications in electronics. Here we show that these two phenomena can not only coexist but also that the localized electronic states of the charge density wave are essential to induce negative differential resistance in a transition metal dichalcogenide, 1T-TaS 2 . Using scanning tunneling microscopy and spectroscopy, we report the observation of negative differential resistance in the commensurate charge density wave state of 1T-TaS 2 .

77 NANOSCIENCE AND NANOTECHNOLOGY↗

The HyRIGHT Project: 700 bar Hydrogen Refueling Interface for Gaseous Heavy-Duty Trucks

Heavy duty truck fueling places additional constraints on the station. The HyRIGHT project was developed to evaluate a subset of key areas around precooling, communications, and safety risks that aims to:  Utilize a dynamic model that includes the relevant station components and vehicle to develop an optimized precooling strategy based on initial precooling status, real time communications that can support fueling protocol development.  Perform a techno economic cost assessment (TEA) related to effects of precooling including station storage and efficiency effects.  Develop a Cyber Vulnerability assessment and framework for refueling of HD vehicles with station communications.  Disseminate the results in support of the HD fueling protocol development to the relevant standards development organizations.

JAMES, Charles W.↗

Mid-IR UAV-based sensing platform with deep learning to Identify and Quantify Gaseous Emission in Gas Flares

This report details the development and evaluation of a Mid-Infrared (Mid-IR) Unmanned Aerial Vehicle (UAV)-based sensing platform integrated with deep learning algorithms for the identification and quantification of gaseous emissions in gas flares. The project, spearheaded by Omega Optics, Inc., aimed to address environmental monitoring challenges by leveraging advanced photonic technologies and autonomous UAV operations. The research focused on designing, optimizing, and fabricating photonic crystal waveguides and grating couplers to enhance the sensitivity and accuracy of gas detection. A comprehensive drone-based system was developed, featuring a miniaturized sensor, GPS module, and microcontroller communication network for real-time gas concentration monitoring. The system's adaptive sampling algorithm, implemented using the Robot Operating System (ROS), enables autonomous detection and localization of gas emission sources. Preliminary results demonstrate the platform's capability to detect and monitor gas emissions with high precision, cost-effectiveness, and scalability. Future work will expand upon this foundation by introducing 3D wind model-based learning for dynamic environmental conditions and further enhancing the user interface and data processing algorithms to support broader environmental monitoring applications. Overall, this project represents a significant step forward in UAV-based environmental sensing technologies, offering robust solutions for detecting and mitigating the impacts of gaseous emissions on public health and safety.

47 OTHER INSTRUMENTATION↗

The MHC Associated Peptide Proteomics assay is a useful tool for the non-clinical assessment of immunogenicity

The propensity of therapeutic proteins to elicit an immune response, poses a significant challenge in clinical development and safety of the patients. Assessment of immunogenicity is crucial to predict potential adverse events and design safer biologics. In this study, we employed MHC Associated Peptide Proteomics (MAPPS) to comprehensively evaluate the immunogenic potential of re-engineered variants of immunogenic FVIIa analog (Vatreptacog Alfa). Our finding revealed the correlation between the protein sequence affinity for MHCII and the number of peptides identified in a MAPPS assay and this further correlates with the reduced T-cell responses. Moreover, MAPPS enable the identification of “relevant” T cell epitopes and may contribute to the development of biologics with lower immunogenic potential.

59 BASIC BIOLOGICAL SCIENCES↗

PyPop: a mature open-source software pipeline for population genomics

Python for Population Genomics (PyPop) is a software package that processes genotype and allele data and performs large-scale population genetic analyses on highly polymorphic multi-locus genotype data. In particular, PyPop tests data conformity to Hardy-Weinberg equilibrium expectations, performs Ewens-Watterson tests for selection, estimates haplotype frequencies, measures linkage disequilibrium, and tests significance. Standardized means of performing these tests is key for contemporary studies of evolutionary biology and population genetics, and these tests are central to genetic studies of disease association as well. Here, we present PyPop 1.0.0, a new major release of the package, which implements new features using the more robust infrastructure of GitHub, and is distributed via the industry-standard Python Package Index. New features include implementation of the asymmetric linkage disequilibrium measures and, of particular interest to the immunogenetics research communities, support for modern nomenclature, including colon-delimited allele names, and improvements to meta-analysis features for aggregating outputs for multiple populations.

59 BASIC BIOLOGICAL SCIENCES↗

Assessment of a Bidirectional Reflectance Distribution Correction of Above-Water and Satellite Water-Leaving Radiance in Coastal Waters

Water-leaving radiances, retrieved from in situ or satellite measurements, need to be corrected for the bidirectional properties of the measured light in order to standardize the data and make them comparable with each other. The current operational algorithm for the correction of bidirectional effects from the satellite ocean color data is optimized for typical oceanic waters. However, versions of bidirectional reflectance correction algorithms specifically tuned for typical coastal waters and other case 2 conditions are particularly needed to improve the overall quality of those data. In order to analyze the bidirectional reflectance distribution function (BRDF) of case 2 waters, a dataset of typical remote sensing reflectances was generated through radiative transfer simulations for a large range of viewing and illumination geometries. Based on this simulated dataset, a case 2 water focused remote sensing reflectance model is proposed to correct above-water and satellite water-leaving radiance data for bidirectional effects. The proposed model is first validated with a one year time series of in situ above-water measurements acquired by collocated multispectral and hyperspectral radiometers, which have different viewing geometries installed at the Long Island Sound Coastal Observatory (LISCO). Match-ups and intercomparisons performed on these concurrent measurements show that the proposed algorithm outperforms the algorithm currently in use at all wavelengths, with average improvement of 2.4% over the spectral range. LISCO's time series data have also been used to evaluate improvements in match-up comparisons of Moderate Resolution Imaging Spectroradiometer satellite data when the proposed BRDF correction is used in lieu of the current algorithm. It is shown that the discrepancies between coincident in-situ sea-based and satellite data decreased by 3.15% with the use of the proposed algorithm.

LISCO(LONG ISLAND SOUND COASTAL OBSERVATORY)↗