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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 55 records · Page 3

Ptychographic atomic electron tomography: Towards three-dimensional imaging of individual light atoms in materials

Through numerical simulations, we demonstrate the combination of ptychography and atomic electron tomography as an effective method for low dose imaging of individual low-Z atoms in three dimensions. After generating noisy diffraction patterns with multislice simulations of an aberration-corrected scanning transmission electron microscope through a 5-nm zinc-oxide nanoparticle, we have achieved three-dimensional (3D) imaging of individual zinc and oxygen atoms and their defects by performing tomography on ptychographic projections. The methodology has also been simulated in 2D materials, resolving individual sulfur atoms in vertical WS 2 /WSe 2 van der Waals heterostructure with a low total electron dose where annular-dark-field images fail to resolve. Overall, we envision that the development of this method could be instrumental in studying the precise 3D atomic structures of radiation sensitive systems and low-Z atomic structures such as 2D heterostructures, catalysts, functional oxides, and glasses.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Idaho Cyber Heroes: Helping Individuals Navigate Career Pathways in Cybersecurity

In 2019, there was a shortage of 3.5 million qualified cybersecurity professionals. Cyberattacks are ever on the rise, making it increasingly important these positions be filled quickly. The purpose of this research, as part of the Idaho Cyber Research Project, was to use information collected from open-source materials to depict the career path issues in cybersecurity for individuals. Interviews with professionals from various industry sectors in Idaho also influenced the course of our research. Early research revealed that one of the main problems is an unclear career path for individuals wanting to enter the cybersecurity workforce. Unclear pathways are defined by of a lack of awareness about a career field, uncertainty surrounding the knowledge and skills taught in college due to a lack of standardization between institutions, high qualification standards in hiring, and a lack of diverse representation in the cybersecurity workforce. Additionally, a platform called CyberKnights was assessed as it applies to the individual and their pathway. However, CyberKnights is not the only solution to this problem, and further research is needed to identify additional solutions.

97 MATHEMATICS AND COMPUTING↗

Validation of a Proteomic Signature of Lung Cancer Risk from Bronchial Specimens of Risk-Stratified Individuals

A major challenge in lung cancer prevention and cure hinges on identifying the at-risk population that ultimately develops lung cancer. Previously, we reported proteomic alterations in the cytologically normal bronchial epithelial cells collected from the bronchial brushings of individuals at risk for lung cancer. The purpose of this study is to validate, in an independent cohort, a selected list of 55 candidate proteins associated with risk for lung cancer with sensitive targeted proteomics using selected reaction monitoring (SRM). Bronchial brushings collected from individuals at low and high risk for developing lung cancer as well as patients with lung cancer, from both a subset of the original cohort (batch 1: n = 10 per group) and an independent cohort of 149 individuals (batch 2: low risk (n = 32), high risk (n = 34), and lung cancer (n = 83)), were analyzed using multiplexed SRM assays. ALDH3A1 and AKR1B10 were found to be consistently overexpressed in the high-risk group in both batch 1 and batch 2 brushing specimens as well as in the biopsies of batch 1. Validation of highly discriminatory proteins and metabolic enzymes by SRM in a larger independent cohort supported their use to identify patients at high risk for developing lung cancer.

60 APPLIED LIFE SCIENCES↗

Improved Air-Conditioning Demand Response of Connected Communities over Individually Optimized Buildings

Connected communities potentially offer much greater demand response capabilities over singular building energy management systems (BEMS) through an increase of connectivity. The potential increase in benefits from this next step in connectivity is still under investigation, especially when applied to existing buildings. This work utilizes EnergyPlus simulation results on eight different commercial prototype buildings to estimate the potential savings on peak demand and energy costs using a mixed-integer linear programming model. This model is used in two cases: a fully connected community and eight separate buildings with BEMS. The connected community is optimized using all zones as variables, while the individual buildings are optimized separately and then aggregated. These optimization problems are run for a range of individual zone flexibility values. The results indicate that a connected community offered 60.0% and 24.8% more peak demand savings for low and high flexibility scenarios, relative to individually optimized buildings. Energy cost optimization results show only marginally better savings of 2.9% and 6.1% for low and high flexibility, respectively.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Call to Action for Global Access to and Harmonization of Quality Information of Individual Earth Science Datasets

Knowledge about the quality of data and metadata is important to support informed decisions on the (re)use of individual datasets and is an essential part of the ecosystem that supports open science. Quality assessments reflect the reliability and usability of data. They need to be consistently curated, fully traceable, and adequately documented, as these are crucial for sound decision- and policy-making efforts that rely on data. Quality assessments also need to be consistently represented and readily integrated across systems and tools to allow for improved sharing of information on quality at the dataset level for individual quality attribute or dimension. Although the need for assessing the quality of data and associated information is well recognized, methodologies for an evaluation framework and presentation of resultant quality information to end users may not have been comprehensively addressed within and across disciplines. Global interdisciplinary domain experts have come together to systematically explore needs, challenges and impacts of consistently curating and representing quality information through the entire lifecycle of a dataset. This paper describes the findings of that effort, argues the importance of sharing dataset quality information, calls for community action to develop practical guidelines, and outlines community recommendations for developing such guidelines. Practical guidelines will allow for global access to and harmonization of quality information at the level of individual Earth science datasets, which in turn will support open science.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Nanometer Resolution Structure‐Emission Correlation of Individual Quantum Emitters via Enhanced Cathodoluminescence in Twisted Hexagonal Boron Nitride

Understanding the atomic structure of quantum emitters, often originating from point defects or impuritie, is essential for designing and optimizing materials for quantum technologies such as quantum computing, communication, and sensing. Despite the availability of atomic-resolution scanning transmission electron microscopy and nanoscale cathodoluminescence microscopy, experimentally determining the atomic structure of individual emitters is challenging due to the conflicting needs for thick samples to generate strong cathodoluminescence signals and thin samples for structural analysis. To overcome this challenge, significantly enhanced cathodoluminescence at twisted interfaces is leveraged to achieve sub-nanometer localization precision for the first time in mapping individual quantum emitters in carbon-implanted hexagonal boron nitride. This unprecedent spatial sensitivity, together with correlative electron energy loss spectroscopy quantitative scanning transmission electron microscopy imaging, and first principles density functional theory calculations, enables the identification of the atomic structure of the 440 nm blue emitter in hexagonal boron nitride as a substituted vertical carbon dimer. Building on the atomic structure insights, nanoscale spatially precise creation of blue emitters is demonstrated by electron beam irradiation of carbon-coated hexagonal boron nitride. This advancement in correlating atomic structures with optical properties lays the foundation for a deeper understanding and precise engineering of quantum emitters, significantly advancing the development of cutting-edge quantum information technologies.

2D material↗

Needle-Like Ferroelastic Domains in Individual Ferroelectric Nanoparticles

Superior structural, physical and electronic properties make ferroelectric nanocrystals essential in enabling a range of next-generation devices. Ferroelectric responses are determined by crystal structure and domain morphology. The ability to reversibly displace, create and annihilate elastic domains is critical to device applications. Whereas electric-field control has been demonstrated for ferroelectric 180° surface domain walls and vortices, similar control of ferroelastic domains and domain boundaries within individual nanocrystals remains challenging. Using controlled external compressive and tensile axial stress, deterministic and reversible control of highly mobile ferroelastic domains and axial polarization in three dimensions is demonstrated in this study. While many studies exist on ferroelastic domains in thin films and bulk, little is known about ferroelastic interactions at the single nanoparticle level, especially involving domain boundaries. Through combining Bragg coherent X-ray diffractive imaging and Landau theory, strain gradients in individual BaTiO3 nanocrystals are shown to stabilize needle-like ferroelastic twin domains. These domains are highly labile under applied axial stress, producing a locally enhanced electric polarization mediated by a ferroelectric phase transition. The efficacy of Bragg coherent X-ray diffractive imaging in studying in operando domains in three-dimensions is demonstrated, while synergy with theory provides a paradigm for domain boundary engineering and potential for nanoscale functional devices.

36 MATERIALS SCIENCE↗

Probing Photoelectrochemical Hydrogen and Oxygen Evolution at Individual Al:SrTiO 3 /Rh 2–y Cr y O 3 Photocatalyst Particles

Particle-based photocatalysts for overall water splitting convert solar energy into hydrogen fuel without the use of any photovoltaic devices. As such they have the potential to revolutionize renewable energy production on Earth. While proven efficiencies have reached 1.1%, further improvements of photocatalyst technology depend on a better understanding of energy loss mechanisms on the individual particle level. Here, we conduct the first in operando photoelectrochemical measurements on individual micrometer-sized Al-doped SrTiO 3 /Rh 2–y CryO 3 photocatalyst particles. We find that the photocatalyst particles behave mainly as water oxidation photoanodes reaching up to 0.5 mA cm −2 at 0.8 V versus RHE and a photovoltage of ∼1.00 V under 4.7 mW cm −2 ultraviolet illumination. This proves that charge separation in the unbiased Al:SrTiO 3 /Rh 2–y Cr y O 3 catalyst is driven by a junction at the n-semiconductor-liquid contact. While O 2 is detected symmetrically around photocatalyst particles, uneven H 2 evolution profiles reflect an irregular Rh 2–y Cr y O 3 cocatalyst distribution. Additionally, the H 2 evolution activity varies significantly between different photocatalyst particles. Furthermore, this suggests that performance gains are possible by better controlling catalyst composition on the microscale.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Self‐Assembly Methods Induce Different Individual‐Polymer‐Block Solvation Responses

An understanding of block-specific responses to stimuli in self-assembled copolymers is essential for the effective design of responsive materials. Here, materials formed from different post-reaction processing methods of the same ROMP block copolymer exhibit different block-specific solvent responses, as characterized in situ by fluorescence lifetime imaging microscopy (FLIM). FLIM data were acquired by tagging the polar or nonpolar block separately with a covalently incorporated viscosity-sensitive fluorescent molecular rotor to measure the changing tightness or looseness of assembly upon changes in solvent composition. Rapid precipitation from an insoluble solvent to form a film results in tighter assembly and less difference in tightness/looseness between the two blocks. Further, it interrupts individual block-solvent response behavior. Both results indicate an apparent disruption of the core–shell assembly. This model from FLIM is further supported by differential scanning calorimetry (DSC) and small-angle X-ray scattering (SAXS) data from isolated solids, which show tighter long-range interactions and more long-range order in these kinetically trapped states. Here, the experiments develop FLIM as a method for pinpointing stimuli-responsive behaviors from different processing methods to individual blocks. Together these outcomes provide a future handle for tailoring solvent-triggered assembly/disassembly behavior.

López, Pía A. [University of California, Irvine, C↗

Interplay of Bright Triplet and Dark Excitons Revealed by Magneto‐Photoluminescence of Individual PbS/CdS Quantum Dots

Abstract A low‐temperature polarization‐resolved magneto‐photoluminescence experiment is performed on individual PbS/CdS core/shell quantum dots (QDs). The experiment enables a direct measurement of the exciton Landé g factor and the anisotropic zero‐field splitting of the lowest emissive bright exciton triplet in PbS/CdS QDs. While anisotropic splittings of individual QDs distribute randomly in 104—325 μeV range, the exciton Landé g factors increase from 0.95 to 2.70 as the emission energy of the QD increases from 1.0 to 1.2 eV. The tight‐binding calculations allow to rationalize these trends as a direct consequence of reducing a cubic symmetry of QD via addition/removal of a few (<70) atoms from the surfaces of the PbS core. Furthermore, it is observed that while right ( σ + ) and left ( σ − ) circularly polarized photoluminescence (PL) peaks split linearly with magnetic field as expected for Zeeman effect, the energy splitting between X and Y linearly polarized PL peaks remains nearly unchanged. The theoretical study reveals rich and complex magnetic field‐induced interplay of bright triplet and dark exciton states explaining this puzzling behavior. These findings fill the missing gaps in the understanding of lead salt QDs and provide foundation for development of classical and quantum light sources operating at telecommunication wavelengths.

Kim, Younghee↗

Strain Field Around Individual Dislocations Controls Failure

Understanding material failure on a fundamental level is a key aspect in the design of robust structural materials, especially for metals and alloys capable to undergo plastic deformation. In the last decade, significant progress is made in quantifying the stresses associated with failure in both experiments and simulations. Nonetheless, the processes occurring on the most essential level of individual dislocations that govern semi-brittle and ductile fracture are still experimentally not accessible, limiting the failure prediction capabilities. Therefore, in the present work, a one-of-a-kind nanoscale fracture experiment is conducted on a single crystalline Cr bending beam in situ in the transmission electron microscope and for the first time quantify the transient strains around individual dislocations, as well as of the whole dislocation network during crack opening. The results reveal the importance of both pre-existing and newly emitted dislocations for crack-tip shielding via their intrinsic strain field and provide guidelines to design more damage tolerant materials.

36 MATERIALS SCIENCE↗

Cell fusing agent virus (Flavivirus) infection in Aedes aegypti in Texas: seasonality, comparison by trap type, and individual viral loads

Abstract South Texas has experienced local transmission of Zika virus and of other mosquito-borne viruses such as chikungunya virus and dengue virus in the last decades. Using a mosquito surveillance program in the Lower Rio Grande Valley (LRGV) and San Antonio, TX, from 2016 to 2018, we detected the presence of an insect-specific virus, cell fusing agent virus (CFAV), in the Aedes aegypti mosquito population. We tested 6,326 females and 1,249 males from the LRGV and 659 females from San Antonio for CFAV by RT-PCR using specific primers. Infection rates varied from 0 to 261 per 1,000 mosquitoes in the LRGV and 115 to 208 per 1,000 in San Antonio depending on the month of collection. Infection rates per 1,000 individuals appeared higher in females collected from BG Sentinel 2 traps compared to Autocidal Gravid Ovitraps, but the ratio of the percentage of infected pools did not differ by trap type. The natural viral load in individual males ranged from 1.25 x 10 2 to 5.50 x 10 6 RNA copies and in unfed females from 5.42 x 10 3 to 8.70 x 10 6 RNA copies. Gravid females were found to harbor fewer viral particles than males and unfed females.

59 BASIC BIOLOGICAL SCIENCES↗

Enabling Success: Enhancing Accessibility in Professional Societies and Programs for Disabled Individuals

For disabled and chronically ill individuals, “extracurriculars” – or pursuit of activities that are additional or adjacent to job success beyond our position descriptions – can sometimes feel out of reach. Here, we encourage leadership of all organizations and institutions to fully engage with disabled individuals to understand some of the ways in which accommodations may fall short, and how we can overcome the issue of accessibility and its impacts on employee achievement and career trajectories.

99 GENERAL AND MISCELLANEOUS↗

O 2 -Oxidation of Individual Graphite and Graphene Nanoparticles in the 1200 – 2200 K Range: Particle-to-Particle Variations and the Evolution of the Reaction Rates and Optical Properties

The kinetics for O 2 oxidation of individual graphite and graphene platelet nanoparticles (NPs) were studied as a function of temperature (1200 to 2200 K) at varying oxygen partial pressures, using a single nanoparticle mass spectrometry method. NP temperature (TNP) was measured by measuring the NP thermal emission spectra during the kinetics studies. The initial oxidation efficiency is found to peak in the 1200 to 1500 K range, dropping by an order of magnitude as TNP was increased above 2000 K. There were large NP-to-NP variations in the oxidation rates, attributed to variations in the NP surface structure. In addition, the oxidation efficiencies evolved, non-monotonically, as the NPs reacted, decreasing by factors of between 10 and 300. This evolution of reactivity is attributed to changes in the NP surface structure due to the combination of oxidation and annealing. In conclusion, the optical properties, including wavelength dependence of the emissivity and the absorption cross section for the 532 nm heating laser, also tended to evolve as the NPs oxidized, but differently for each individual NP, presumably reflecting differences in the initial structures and their evolution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Three-dimensional phase field sintering simulations accounting for the rigid-body motion of individual grains

Sintering is a widely used powder processing technique in industrial applications. During sintering, atoms migrate to decrease the energy of the system via two main mechanisms: coarsening and densification, both of which lead to significant morphological variation of the sintered microstructure. When simulating sintering dynamics, the phase-field method has been broadly utilized because of its convenience in tracking morphology evolution. When a large number of grains is involved, it is common to use the same order parameter to describe multiple grains that are not in direct contact with one another (in order to reduce the computational memory demands). However, with this treatment it is difficult to handle the rigid-body motion of individual grains during densification. In this work, an implementation scheme is introduced to overcome the challenge of calculating individual particle motion based on existing equations. It uses a grouping algorithm and sets a cutoff radius on each grain for calculating the particle velocity during densification. This method allows for the incorporation of the densification mechanism, which has been commonly ignored in previous work, into phase-field sintering models in three-dimensional simulations with a large number of particles/grains. Moreover, through combination with the smoothed boundary method, material properties of sintered microstructures, such as the effective diffusivity and Young’s modulus, can be calculated during the sintering processes.

36 MATERIALS SCIENCE↗

Using dorsal surface for individual identification of dairy calves through 3D deep learning algorithms

Advances in machine learning techniques have allowed the development of computer vision systems (CVS) that can accurately predict several phenotypes of interest for livestock operations. In this context, 3D images taken from a top-down view are particularly useful for estimating body condition score, growth development, and body biometrics in cattle. Frequently, such CVS rely on identification (ID) systems, such as electronic tags, as a way to match animal ID and the predicted phenotype. However, the same 3D images used to predict body weight and other animal biometrics could be adopted for animal recognition as well. Such alternative would optimize CVS to recognize animal ID and monitor growth development simultaneously while leveraging the same hardware infrastructure. Furthermore, this strategy could be used to recognize animals with similar color patterns. Nonetheless, growing animals are continuously changing body shape, which could limit its use as an invariant feature for pattern recognition. Thus, the objectives of this study were: (1) to compare algorithms for different 3D object representations to identify individual animals; and (2) to evaluate how short-term changes in body shape due to animal growth affect the predictive performance of these algorithms. For objective 1, the algorithms were trained (n = 4,558) and tested (n = 1,139) using images from 38 Holstein calves. For objective 2, we designed three different experiments using images (n = 2,347) from five Holstein calves taken over six weeks during their growing period, always training and testing on different weeks. Each experiment evaluated how changing a different parameter of the image capturing procedure affected the predictive ability of the trained algorithms. In the first experiment, we varied the total number of images per animal in the training set; in the second experiment, we varied the number of weeks while keeping a fixed number of images in the training set; and in the third experiment, we skipped weeks between images in the training and test sets. The F 1 score for objective (1) was up to 0.804 when testing with the last frames of each video, and up to 0.959 when using random frames for testing. For objective (2), the F 1 score was up to 0.947 for the first experiment when using 130 images per animal; up to 0.979 for the second experiment when using all five weeks; and up to 0.917 when not skipping weeks between training and testing. In conclusion, these results show that deep learning algorithms can be used to identify individual animals through their dorsal area 3D surfaces, and, from our experiments using calves in their growing period, that they are robust enough to account for changes in body shape and size, making them a promising tool for animal recognition during growth.

3D neural networks↗

Broad SARS-CoV-2 neutralization by monoclonal and bispecific antibodies derived from a Gamma-infected individual

The pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has remained a medical threat due to the evolution of multiple variants that acquire resistance to vaccines and prior infection. Therefore, it is imperative to discover monoclonal antibodies (mAbs) that neutralize a broad range of SARS-CoV-2 variants. A stabilized spike glycoprotein was used to enrich antigen-specific B cells from an individual with a primary Gamma variant infection. Five mAbs selected from those B cells showed considerable neutralizing potency against multiple variants, with COVA309-35 being the most potent against the autologous virus, as well as Omicron BA.1 and BA.2, and COVA309-22 having binding and neutralization activity against Omicron BA.4/5, BQ.1.1, and XBB.1. When combining the COVA309 mAbs as cocktails or bispecific antibodies, the breadth and potency were improved. In addition, the mechanism of cross-neutralization of the COVA309 mAbs was elucidated by structural analysis. Altogether these data indicate that a Gamma-infected individual can develop broadly neutralizing antibodies.

60 APPLIED LIFE SCIENCES↗

Individual doses for super cohort members exposed to atmospheric radioiodine from the Mayak releases with an emphasis on prenatal doses

Time-dependent thyroid doses were reconstructed for 45,837 members of the Southern Urals Population Exposed to Radiation Cohort (SUPER-C) living in the region around the Mayak Production Association facilities in Russia from 131I released to the atmosphere from all relevant exposure pathways. The dose calculations are implemented in a Monte Carlo framework that produces best estimates and stochastic realizations of dose time-histories. The mean thyroid dose from 131I for SUPER-C members was 195 mGy; the median was 65 mGy. Overall, 131I-thyroid doses for about 3.6% of SUPER-C members were larger than 1 Gy. For children born in 1940-1950, the dose was about 10% higher than in previous studies because doses during the prenatal period for 9,117 individuals are included in the current work. Half of the individuals born in the region in 1950–1960 who remained in the study domain through 1972 received 9.4% or more of their total dose during the prenatal period. SUPER-C members residing in areas contaminated by discharges of liquid radioactive releases into the Techa River and the Kyshtym Accident in 1957 received 80% of their thyroid dose from airborne 131I emissions. The uncertainty in the 131I dose estimates is low enough for this approach to be used in regional epidemiological studies.

Dose assessment, 131I, airborne radioactivity, thy↗