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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 415 records · Page 23

Radiative lifetime-encoded unicolour security tags using perovskite nanocrystals

Traditional fluorescence-based tags, used for anticounterfeiting, rely on primitive pattern matching and visual identification; additional covert security features such as fluorescent lifetime or pattern masking are advantageous if fraud is to be deterred. Herein, we present an electrohydrodynamically printed unicolour multi-fluorescent-lifetime security tag system composed of lifetime-tunable lead-halide perovskite nanocrystals that can be deciphered with both existing time-correlated single-photon counting fluorescence-lifetime imaging microscopy and a novel time-of-flight prototype. We find that unicolour or matching emission wavelength materials can be prepared through cation-engineering with the partial substitution of formamidinium for ethylenediammonium to generate “hollow” formamidinium lead bromide perovskite nanocrystals; these materials can be successfully printed into fluorescence-lifetime-encoded-quick-read tags that are protected from conventional readers. Furthermore, we also demonstrate that a portable, cost-effective time-of-flight fluorescence-lifetime imaging prototype can also decipher these codes. A single comprehensive approach combining these innovations may be eventually deployed to protect both producers and consumers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effect of specific non-pharmaceutical intervention policies on SARS-CoV-2 transmission in the counties of the United States

Non-pharmaceutical interventions (NPIs) remain the only widely available tool for controlling the ongoing SARS-CoV-2 pandemic. We estimated weekly values of the effective basic reproductive number (R eff ) using a mechanistic metapopulation model and associated these with county-level characteristics and NPIs in the United States (US). Interventions that included school and leisure activities closure and nursing home visiting bans were all associated with a median R eff below 1 when combined with either stay at home orders (median R eff 0.97, 95% confidence interval (CI) 0.58–1.39) or face masks (median R eff 0.97, 95% CI 0.58–1.39). While direct causal effects of interventions remain unclear, our results suggest that relaxation of some NPIs will need to be counterbalanced by continuation and/or implementation of others.

60 APPLIED LIFE SCIENCES↗

A structured RNA motif locks Argonaute2:miR-122 onto the 5’ end of the HCV genome

microRNAs (miRNAs) form regulatory networks in metazoans. Viruses engage miRNA networks in numerous ways, with Flaviviridae members exploiting direct interactions of their RNA genomes with host miRNAs. For hepatitis C virus (HCV), binding of liver-abundant miR-122 stabilizes the viral RNA and regulates viral translation. Here, we investigate the structural basis for these activities, taking into consideration that miRNAs function in complex with Argonaute (Ago) proteins. The crystal structure of the Ago2:miR-122:HCV complex reveals a structured RNA motif that traps Ago2 on the viral RNA, masking its 5’ end from enzymatic attack. The trapped Ago2 can recruit host factor PCBP2, implicated in viral translation, while binding of a second Ago2:miR-122 competes with PCBP2, creating a potential molecular switch for translational control. Combined results reveal a viral RNA structure that modulates Ago2:miR-122 dynamics and repurposes host proteins to generate a functional analog of the mRNA cap-binding complex.

59 BASIC BIOLOGICAL SCIENCES↗

Pinhole-seeded lateral epitaxy and exfoliation of GaSb films on graphene-terminated surfaces

Abstract Remote epitaxy is a promising approach for synthesizing exfoliatable crystalline membranes and enabling epitaxy of materials with large lattice mismatch. However, the atomic scale mechanisms for remote epitaxy remain unclear. Here we experimentally demonstrate that GaSb films grow on graphene-terminated GaSb (001) via a seeded lateral epitaxy mechanism, in which pinhole defects in the graphene serve as selective nucleation sites, followed by lateral epitaxy and coalescence into a continuous film. Remote interactions are not necessary in order to explain the growth. Importantly, the small size of the pinholes permits exfoliation of continuous, free-standing GaSb membranes. Due to the chemical similarity between GaSb and other III-V materials, we anticipate this mechanism to apply more generally to other materials. By combining molecular beam epitaxy with in-situ electron diffraction and photoemission, plus ex-situ atomic force microscopy and Raman spectroscopy, we track the graphene defect generation and GaSb growth evolution a few monolayers at a time. Our results show that the controlled introduction of nanoscale openings in graphene provides an alternative route towards tuning the growth and properties of 3D epitaxial films and membranes on 2D material masks.

36 MATERIALS SCIENCE↗

Charge state-dependent symmetry breaking of atomic defects in transition metal dichalcogenides

Abstract The functionality of atomic quantum emitters is intrinsically linked to their host lattice coordination. Structural distortions that spontaneously break the lattice symmetry strongly impact their optical emission properties and spin-photon interface. Here we report on the direct imaging of charge state-dependent symmetry breaking of two prototypical atomic quantum emitters in mono- and bilayer MoS 2 by scanning tunneling microscopy (STM) and non-contact atomic force microscopy (nc-AFM). By changing the built-in substrate chemical potential, different charge states of sulfur vacancies (Vac S ) and substitutional rhenium dopants (Re Mo ) can be stabilized. $${\mathrm{Vac}}_{{{{{{{{\rm{S}}}}}}}}}^{-1}$$ Vac S − 1 as well as $${{\mathrm{Re}}}_{{{{{{{{\rm{Mo}}}}}}}}}^{0}$$ Re Mo 0 and $${\mathrm{Re}}_{{\rm{Mo}}}^{-1}$$ Re Mo − 1 exhibit local lattice distortions and symmetry-broken defect orbitals attributed to a Jahn-Teller effect (JTE) and pseudo-JTE, respectively. By mapping the electronic and geometric structure of single point defects, we disentangle the effects of spatial averaging, charge multistability, configurational dynamics, and external perturbations that often mask the presence of local symmetry breaking.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Non-Markovian relaxation spectroscopy of fluxonium qubits

Recent studies have shown that parasitic two-level systems (TLS) in superconducting qubits, which are a leading source of decoherence, can have relaxation times longer than the qubits themselves. However, the standard techniques used to characterize qubit relaxation is only valid for measuring T 1 under the Born-Markov approximation and could mask environmental memory effects in practice. Here, we introduce two-timescale relaxometry, a technique to probe the qubit and environment relaxation simultaneously and efficiently. We apply it to high-coherence fluxonium qubits over a frequency range of 0.1-0.4 GHz, and reveal a discrete spectrum of TLS with millisecond lifetimes. Our analysis of the spectrum is consistent with a random distribution of TLS in the aluminum oxide tunnel barrier of the Josephson junction chain of the fluxonium, with a spectral and volumetric density and average electric dipole similar to previous TLS studies at much higher frequencies. Our study suggests that investigating and mitigating TLS in the junction chain is crucial to the development of various types of noise-protected qubits in circuit QED.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Grayscale projection two-photon lithography using sub-diffraction motifs for ultrafast and precise nanoscale 3D printing

Rapid and high-fidelity nanoscale 3D printing is highly desirable, but it is difficult due to the tradeoff between speed and accuracy. Although optical projection techniques can massively scale up printing, fidelity is compromised due to the difficulty in precisely controlling the light dosage over the entire field. This challenge is typically addressed by using multiple projections, but it slows down printing. Here, we present grayscale projection two-photon lithography to overcome this tradeoff. Despite using a binary mask, it enables projecting more than 15,000 focal spots, each with independently tunable intensity. It advantageously leverages constraints imposed by optical diffraction to achieve grayscale tuning over the entire field at once. By directly tuning the focal spot intensities, we demonstrate suppression of proximity effects, compensation of non-uniform illumination, compensation of stitching artefacts, and rapid 3D printing with a single femtosecond pulse per layer. We demonstrate printing of nanowires as thin as 55 nm and achieve rates of 1.7 billion voxels/s and 215 mm 3 /hr.

36 MATERIALS SCIENCE↗

TransPolymer: a Transformer-based language model for polymer property predictions

Accurate and efficient prediction of polymer properties is of great significance in polymer design. Conventionally, expensive and time-consuming experiments or simulations are required to evaluate polymer functions. Recently, Transformer models, equipped with self-attention mechanisms, have exhibited superior performance in natural language processing. However, such methods have not been investigated in polymer sciences. Herein, we report TransPolymer, a Transformer-based language model for polymer property prediction. Our proposed polymer tokenizer with chemical awareness enables learning representations from polymer sequences. Rigorous experiments on ten polymer property prediction benchmarks demonstrate the superior performance of TransPolymer. Moreover, we show that TransPolymer benefits from pretraining on large unlabeled dataset via Masked Language Modeling. Experimental results further manifest the important role of self-attention in modeling polymer sequences. We highlight this model as a promising computational tool for promoting rational polymer design and understanding structure-property relationships from a data science view.

36 MATERIALS SCIENCE↗

Uncertainty-aware particle segmentation for electron microscopy at varied length scales

Electron microscopy is indispensable for examining the morphology and composition of solid materials at the sub-micron scale. To study the powder samples that are widely used in materials development, scanning electron microscopes (SEMs) are increasingly used at the laboratory scale to generate large datasets with hundreds of images. Parsing these images to identify distinct particles and determine their morphology requires careful analysis, and automating this process remains challenging. In this work, we enhance the Mask R-CNN architecture to develop a method for automated segmentation of particles in SEM images. We address several challenges inherent to measurements, such as image blur and particle agglomeration. Moreover, our method accounts for prediction uncertainty when such issues prevent accurate segmentation of a particle. Recognizing that disparate length scales are often present in large datasets, we use this framework to create two models that are separately trained to handle images obtained at low or high magnification. By testing these models on a variety of inorganic samples, our approach to particle segmentation surpasses an established automated segmentation method and yields comparable results to the predictions of three domain experts, revealing comparable accuracy while requiring a fraction of the time. These findings highlight the potential of deep learning in advancing autonomous workflows for materials characterization.

36 MATERIALS SCIENCE↗

Photonic curing of solution-deposited ZrO 2 dielectric on PEN: a path towards high-throughput processing of oxide electronics

High-throughput manufacturing of oxide electronics will enable new applications ranging from large-area displays to flexible medical devices and low-cost solar panels. However, high quality oxide films from solution-based precursors typically require 20 minutes or more of thermal annealing at high temperature (> 250 °C) for each layer, severely limiting both the throughput and substrate choice. Here, we report high speed photonic curing of ZrO 2 dielectric thin films on flexible plastic substrates. The curing and patterning processes can be achieved simultaneously by using shadow mask patterning or adjusting conditions to convert oxide only on top of underlying metal contacts, i.e. self-aligned patterning. Metal-insulator-metal capacitors using two layers of ZrO 2 films photonically cured in just 100 seconds per layer show non-dispersive capacitance-frequency behavior from 10 2 to 10 6 Hz, high areal capacitance of 200 nF/cm 2 and low dissipation factor of 0.03 at 10 5 Hz, leakage current density of ~ 10 -7 A/cm 2 at an applied field of 2 MV/cm, and a breakdown field of nearly 8 MV/cm. Using an upgraded tool, similar dielectric properties are achieved in as short as 100 milliseconds using a single pulse of light, revealing a pathway to oxide film processing beyond 30 m/min.

14 SOLAR ENERGY↗

Identification of non-Fermi liquid fermionic self-energy from quantum Monte Carlo data

Quantum Monte Carlo (QMC) simulations of correlated electron systems provide unbiased information about system behavior at a quantum critical point (QCP) and can verify or disprove the existing theories of non-Fermi liquid (NFL) behavior at a QCP. However, simulations are carried out at a finite temperature, where quantum critical features are masked by finite-temperature effects. Here, we present a theoretical framework within which it is possible to separate thermal and quantum effects and extract the information about NFL physics at T = 0. We demonstrate our method for a specific example of 2D fermions near an Ising ferromagnetic QCP. We show that one can extract from QMC data the zero-temperature form of fermionic self-energy Σ(ω) even though the leading contribution to the self-energy comes from thermal effects. We find that the frequency dependence of Σ(ω) agrees well with the analytic form obtained within the Eliashberg theory of dynamical quantum criticality, and obeys ω 2/3 scaling at low frequencies. Our results open up an avenue for QMC studies of quantum critical metals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Detecting macroevolutionary genotype–phenotype associations using error-corrected rates of protein convergence

On macroevolutionary timescales, extensive mutations and phylogenetic uncertainty mask the signals of genotype–phenotype associations underlying convergent evolution. To overcome this problem, we extended the widely used framework of non-synonymous to synonymous substitution rate ratios and developed the novel metric ω C , which measures the error-corrected convergence rate of protein evolution. While ω C distinguishes natural selection from genetic noise and phylogenetic errors in simulation and real examples, its accuracy allows an exploratory genome-wide search of adaptive molecular convergence without phenotypic hypothesis or candidate genes. Using gene expression data, we explored over 20 million branch combinations in vertebrate genes and identified the joint convergence of expression patterns and protein sequences with amino acid substitutions in functionally important sites, providing hypotheses on undiscovered phenotypes. We further extended our method with a heuristic algorithm to detect highly repetitive convergence among computationally non-trivial higher-order phylogenetic combinations. Our approach allows bidirectional searches for genotype–phenotype associations, even in lineages that diverged for hundreds of millions of years.

59 BASIC BIOLOGICAL SCIENCES↗

Invisible ship tracks show large cloud sensitivity to aerosol

Cloud reflectivity is sensitive to atmospheric aerosol concentrations because aerosols provide the condensation nuclei on which water condenses. Increased aerosol concentrations due to human activity affect droplet number concentration, liquid water and cloud fraction, but these changes are subject to large uncertainties. Ship tracks, long lines of polluted clouds that are visible in satellite images, are one of the main tools for quantifying aerosol–cloud interactions. However, only a small fraction of the clouds polluted by shipping show ship tracks. Here we show that even when no ship tracks are visible in satellite images, aerosol emissions change cloud properties substantially. We develop a new method to quantify the effect of shipping on all clouds, showing a cloud droplet number increase and a more positive liquid water response when there are no visible tracks. We directly detect shipping-induced cloud property changes in the trade cumulus regions of the Atlantic, which are known to display almost no visible tracks. Our results indicate that previous studies of ship tracks were suffering from selection biases by focusing only on visible tracks from satellite imagery. The strong liquid water path response we find translates to a larger aerosol cooling effect on the climate, potentially masking a higher climate sensitivity than observed temperature trends would otherwise suggest.

54 ENVIRONMENTAL SCIENCES↗

Aerial imagery dataset of lost oil wells

Orphaned wells are wells for which the operator is unknown or insolvent. The location of hundreds of thousands of these wells remain unknown in the United States alone. Cost-effective techniques are essential to locate orphaned wells to address environmental problems. In this paper, we present a dataset consisting of 120,948 aerial images of recently documented orphan wells. Each of these 512 × 512 images is paired with segmentation masks that indicate the presence or absence of such well. These images, sourced from the National Agriculture Imagery Program, cover the continental United States with spatial resolutions ranging from 30 centimeters to 1 meter. Additionally, we included negative examples by selecting locations uniformly across the United States. Accompanying metadata includes the IDs and spatial resolution of the original images, which are available for free through the United States Geological Survey, and the pixel coordinates of documented orphaned wells identified in these images. This dataset is intended to support the development of deep-learning models that can help locating undocumented orphan wells from such imagery, thereby blunting the environmental damage they do.

Climate-change mitigation↗

Heterogeneous estimations of non-pharmaceutical mitigation behavior during the COVID-19 pandemic

The COVID-19 pandemic highlighted the importance of human behavior in mitigating the spread of disease. Nonetheless, human behavior is often overlooked in models of disease spread, particularly by underutilizing real-world data. We address this by estimating probabilities that individuals engage in behaviors that influence SARS-CoV-2 transmission risk during the COVID-19 pandemic, between September 2020 and June 2022. These behaviors include wearing a mask, using public transportation, spending time with others, avoiding contact with others, and going to work. Our estimates account for the age and sex of individuals and are generated for every county in the United States. We utilized multiple open-source datasets and United States Census data to produce these estimates. Multiple datasets were used for validation, showing our estimates demonstrated comparable accuracy and robustness. Our estimates aid in understanding human behavior dynamics during the COVID-19 pandemic and could be used to inform monthly or longer-term behavior in simulations of COVID-19. Moreover, the methods presented can be applied to other behaviors and features for future simulations of infectious disease.

97 MATHEMATICS AND COMPUTING↗

Expectation-propagation for weak radionuclide identification at radiation portal monitors

We propose a sparsity-promoting Bayesian algorithm capable of identifying radionuclide signatures from weak sources in the presence of a high radiation background. The proposed method is relevant to radiation identification for security applications. In such scenarios, the background typically consists of terrestrial, cosmic, and cosmogenic radiation that may cause false positive responses. We evaluate the new Bayesian approach using gamma-ray data and are able to identify weapons-grade plutonium, masked by naturally-occurring radioactive material (NORM), in a measurement time of a few seconds. We demonstrate this identification capability using organic scintillators (stilbene crystals and EJ-309 liquid scintillators), which do not provide direct, high-resolution, source spectroscopic information. Compared to the EJ-309 detector, the stilbene-based detector exhibits a lower identification error, on average, owing to its better energy resolution. Organic scintillators are used within radiation portal monitors to detect gamma rays emitted from conveyances crossing ports of entry. The described method is therefore applicable to radiation portal monitors deployed in the field and could improve their threat discrimination capability by minimizing “nuisance” alarms produced either by NORM-bearing materials found in shipped cargoes, such as ceramics and fertilizers, or radionuclides in recently treated nuclear medicine patients.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Arrays of Si vacancies in 4 H -SiC produced by focused Li ion beam implantation

Point defects in SiC are an attractive platform for quantum information and sensing applications because they provide relatively long spin coherence times, optical spin initialization, and spin-dependent fluorescence readout in a fabrication-friendly semiconductor. The ability to precisely place these defects at the optimal location in a host material with nano-scale accuracy is desirable for integration of these quantum systems with traditional electronic and photonic structures. Here, we demonstrate the precise spatial patterning of arrays of silicon vacancy (${V}_{Si}$) emitters in an epitaxial 4H -SiC (0001) layer through mask-less focused ion beam implantation of Li + . We characterize these arrays with high-resolution scanning confocal fluorescence microscopy on the Si-face, observing sharp emission lines primarily coming from the ${V1}^{{\prime}}$ zero-phonon line (ZPL). The implantation dose is varied over 3 orders of magnitude, leading to ${V}_{Si}$ densities from a few per implantation spot to thousands per spot, with a linear dependence between ZPL emission and implantation dose. Optically-detected magnetic resonance (ODMR) is also performed, confirming the presence of V2 ${V}_{Si}$. Our investigation reveals scalable and reproducible defect generation.

36 MATERIALS SCIENCE↗

Forecasting and modeling of the COVID-19 pandemic in the USA with a timed intervention model

We propose a novel Timed Intervention S, P, E, I, Q, R, D model for projecting the possible futures of the COVID-19 pandemic in the USA. The proposed model introduces a series of timed interventions that can account for the influence of real time changes in government policy and social norms. We consider three separate types of interventions: (i) Protective interventions: Where population moves from susceptible to protected corresponding to mask mandates, stay-at-home orders and/or social distancing. (ii) Release interventions: Where population moves from protected to susceptible corresponding to social distancing mandates and practices being lifted by policy or pandemic fatigue. (iii) Vaccination interventions: Where population moves from susceptible, protected, and exposed to recovered (meaning immune) corresponding to the mass immunization of the U.S. Population. By treating the pandemic with timed interventions, we are able to model the pandemic extremely effectively, as well as directly predicting the course of the pandemic under differing sets of intervention schedules. We show that without prompt effective protective/vaccination interventions the pandemic will be extended significantly and result in many millions of deaths in the U.S.

60 APPLIED LIFE SCIENCES↗