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At least 1,135 records · Page 63

Characterization of just one atom using synchrotron X-rays

Since the discovery of X-rays by Roentgen in 1895, its use has been ubiquitous, from medical and environmental applications to materials sciences. X-ray characterization requires a large number of atoms and reducing the material quantity is a long-standing goal. Here we show that X-rays can be used to characterize the elemental and chemical state of just one atom. Using a specialized tip as a detector, X-ray-excited currents generated from an iron and a terbium atom coordinated to organic ligands are detected. The fingerprints of a single atom, the L 2,3 and M 4,5 absorption edge signals for iron and terbium, respectively, are clearly observed in the X-ray absorption spectra. The chemical states of these atoms are characterized by means of near-edge X-ray absorption signals, in which X-ray-excited resonance tunnelling (X-ERT) is dominant for the iron atom. The X-ray signal can be sensed only when the tip is located directly above the atom in extreme proximity, which confirms atomically localized detection in the tunnelling regime. Finally, our work connects synchrotron X-rays with a quantum tunnelling process and opens future X-rays experiments for simultaneous characterizations of elemental and chemical properties of materials at the ultimate single-atom limit.

74 ATOMIC AND MOLECULAR PHYSICS↗

Energy and physical resource impacts of quantum computing merit greater attention

Quantum computing research and development is growing worldwide; yet the energy and physical resource demands of future quantum-accelerated data centres are unknown. Planning for quantum computing requires strong collaboration between research communities across engineering, physics, environmental sciences, economics, policy, and energy systems and scenario modelling.

97 MATHEMATICS AND COMPUTING↗

Potassium jarosite seeding of soils decreases lead and arsenic bioaccessibility: A path toward concomitant remediation

Soils are common sources of metal(loid) contaminant exposure globally. Lead (Pb) and arsenic (As) are of paramount concern due to detrimental neurological and carcinogenic health effects, respectively. Pb and/or As contaminated soils require remediation, typically leading to excavation, a costly and environmentally damaging practice of removing soil to a central location (e.g., hazardous landfill) that may not be a viable option in low-income countries. Chemical remediation techniques may allow for in situ conversion of soil contaminants to phases that are not easily mobilized upon ingestion; however, effective chemical remediation options are limited. Here, we have successfully tested a soil remediation technology using potted soils that relies on converting soil Pb and As into jarosite-group minerals, such as plumbojarosite (PLJ) and beudantite, possessing exceptionally low bioaccessibility [i.e., solubility at gastric pH conditions (pH 1.5 to 3)]. Across all experiments conducted, all new treatment methods successfully promoted PLJ and/or beudantite conversion, resulting in a proportional decrease in Pb and As bioaccessibility. Increasing temperature resulted in increased conversion to jarosite-group minerals, but addition of potassium (K) jarosite was most critical to Pb and As bioaccessibility decreases. Our methods of K-jarosite treatment yielded <10% Pb and As bioaccessibility compared to unamended soil values of approximately 70% and 60%, respectively. In conclusion, the proposed treatment is a rare dual remediation option that effectively treats soil Pb and As such that potential exposure is considerably reduced. Research presented here lays the foundation for ongoing field application.

54 ENVIRONMENTAL SCIENCES↗

A global perspective on bacterial diversity in the terrestrial deep subsurface

While recent efforts to catalogue Earth’s microbial diversity have focused upon surface and marine habitats, 12–20% of Earth’s biomass is suggested to exist in the terrestrial deep subsurface, compared to ~1.8% in the deep subseafloor. Metagenomic studies of the terrestrial deep subsurface have yielded a trove of divergent and functionally important microbiomes from a range of localities. However, a wider perspective of microbial diversity and its relationship to environmental conditions within the terrestrial deep subsurface is still required. Our meta-analysis reveals that terrestrial deep subsurface microbiota are dominated by Betaproteobacteria, Gammaproteobacteria and Firmicutes, probably as a function of the diverse metabolic strategies of these taxa. Evidence was also found for a common small consortium of prevalent Betaproteobacteria and Gammaproteobacteria operational taxonomic units across the localities. This implies a core terrestrial deep subsurface community, irrespective of aquifer lithology, depth and other variables, that may play an important role in colonizing and sustaining microbial habitats in the deep terrestrial subsurface. An in silico contamination-aware approach to analysing this dataset underscores the importance of downstream methods for assuring that robust conclusions can be reached from deep subsurface-derived sequencing data. Understanding the global panorama of microbial diversity and ecological dynamics in the deep terrestrial subsurface provides a first step towards understanding the role of microbes in global subsurface element and nutrient cycling.

59 BASIC BIOLOGICAL SCIENCES↗

TRIM: AI Guided Random Number Generation for Resource-Constrained IoT Systems

Random numbers often serve as the backbone for many security solutions in diverse domains such as cryptography, side channel leakage prevention, and moving target defense. However, generating true random numbers requires a physical source of entropy (e.g. hardware, quantum, environmental phenomenon) making it difficult to realize at a large scale and at a low cost. On the flip side, pseudorandom number generators (easy to implement) following a specific distribution (e.g. Gaussian) can be easily compromised given a sufficient amount of traces. In this work, we have developed a machine learning-guided generative approach that can be used to create portable, resource-efficient, and cost-effective random number generators with high throughput and true randomness characteristics. We implement the proposed approach as a highly parameterized framework and perform extensive evaluation for different settings. The framework was able to learn from true random sources such as irrational numbers and environmental audio noise and imitate those sources towards generating new good quality random numbers on demand. We have generated more than 1 billion bits and observed robust performance in terms of true randomness metrics obtained from NIST SP 800-22 and FIPS 140-1 randomness test suites achieving a throughput of up to 142.85 Mbps. Compared to the state-of-the-art (SOTA) technique, the iso-cost setup of our framework can achieve more than 500 Mbps in a distributed setting. We have evaluated the efficacy of running the true randomness imitation AI models on target edge devices such as Raspberry Pi 4 (Model B), Nvidia Jetson Nano, Nvidia Jetson Orin Nano and Nvidia Jetson Xavier. We have also looked at the security of the TRIM framework itself against different adversarial threat models.

Cybersecurity↗

2020 Annual Site Environmental Report for Sandia National Laboratories, Tonopah Test Range, Nevada, and Kaua'i Test Facility, Hawai'i

Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration. The National Nuclear Security Administration’s Sandia Field Office administers the contract and oversees contractor operations at Sandia National Laboratories, Tonopah Test Range (SNL/TTR) in Nevada and Sandia National Laboratories, Kaua‘i Test Facility (SNL/KTF) in Hawai‘i. Activities at SNL/TTR are conducted in support of U.S. Department of Energy weapons programs and have operated at the site since 1957. SNL/KTF has operated as a rocket preparation launching and tracking facility since 1962. The U.S. Department of Energy and its management and operating contractor are committed to safeguarding the environment, assessing sustainability practices, and ensuring the validity and accuracy of the monitoring data presented in this Annual Site Environmental Report. This report summarizes the environmental protection, restoration, and monitoring programs in place at SNL/TTR and SNL/KTF during calendar year 2020. Environmental topics include air quality, ecology, environmental restoration, oil storage, site sustainability, terrestrial surveillance, waste management, water quality, and implementation of the National Environmental Policy Act. This report is prepared in accordance with and as required by DOE O 231.1B, Admin Change 1, Environment, Safety and Health Reporting , and has been approved for public distribution.

54 ENVIRONMENTAL SCIENCES↗

2022 Annual Site Environmental Report for Sandia National Laboratories, Albuquerque, New Mexico

Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration. The National Nuclear Security Administration’s Sandia Field Office administers the contract and oversees contractor operations at Sandia National Laboratories, New Mexico. Activities at the site support research and development programs with a wide variety of national security missions, resulting in technologies for nonproliferation, homeland security, energy and infrastructure, and defense systems and assessments. The U.S. Department of Energy and its management and operating contractor are committed to safeguarding the environment, assessing sustainability practices, and ensuring the validity and accuracy of the monitoring data presented in this annual site environmental report. This report summarizes the environmental protection and monitoring programs in place at Sandia National Laboratories, New Mexico, during calendar year 2022. Environmental topics include cultural resource management, chemical management, air quality, ecology, environmental restoration, oil storage, site sustainability, terrestrial surveillance, waste management, water quality, and implementation of the National Environmental Policy Act. This report is prepared in accordance with and as required by DOE O 231.1B, Admin Change 1, Environment, Safety and Health Reporting, and has been approved for public distribution.

54 ENVIRONMENTAL SCIENCES↗

2022 Annual Site Environmental Report for Sandia National Laboratories, Kaua'i Test Facility, Hawai'i

Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the. U.S. Department of Energy’s National Nuclear Security Administration. The National Nuclear Security Administration’s Sandia Field Office administers the contract and oversees contractor operations at the Sandia National Laboratories Kaua'i Test Facility in Hawai'i. Activities at the site are conducted in support of U.S. Department of Energy weapons programs., and the site has operated as a rocket preparation launching and tracking facility since 1962. The U.S. Department of Energy and its management and operating contractor are committed to safeguarding the environment, assessing sustainability practices, and ensuring the validity and accuracy of the monitoring data presented in this annual site environmental report. This report summarizes the environmental protection, restoration, and monitoring programs in place at Sandia National Laboratories, Kaua'i Test Facility, during calendar year 2022. Environmental topics include cultural resource management, chemical management, air quality, meteorology, ecology, oil storage, site sustainability, terrestrial surveillance, waste management, water quality, wastewater discharge, and implementation of the National Environmental Policy Act. This report is prepared in accordance with and as required by DOE O 231.1B, Admin Change 1, Environment, Safety and Health Reporting and has been approved for public distribution.

54 ENVIRONMENTAL SCIENCES↗

Optimization Efforts at DWPF to Ensure Waste Tank Closure by 2037 – 24404

At the Savannah River Site (SRS) in Aiken, South Carolina, the Defense Waste Processing Facility (DWPF) produces a glass-form product by processing high-level liquid waste (HLW) with borosilicate glass in a high-heated Melter, then putting the vitrified waste into stainless-steel canisters. Since 1996, DWPF has performed this vitrification process for the liquid waste mission at the SRS; the overall objective for this mission is to reduce the volume in the upstream waste tanks, so those tanks can be emptied and operationally closed. This mission seeks to eliminate the single biggest environmental risk in the state of South Carolina, which requires a robust processing strategy within the DWPF, along with optimal interface between the other facilities in the liquid waste organization (LWO). As of the end of July 2023, DWPF has safely remediated 63.7 MCi of HLW, and filled 4,319 canisters (We project that about 4,000 more canisters are needed to be filled to reach the closure goal.)

Armstead, III, Frank L.↗

2023 Annual Site Environmental Report for Sandia National Laboratories, Tonopah Test Range, Nevada

Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration. The National Nuclear Security Administration’s Sandia Field Office administers the contract and oversees contractor operations at Sandia National Laboratories, Tonopah Test Range. Activities at the site are conducted in support of U.S. Department of Energy weapons programs and have operated at the site since 1957. The U.S. Department of Energy and its management and operating contractor are committed to safeguarding the environment, assessing sustainability practices, and ensuring the validity and accuracy of the monitoring data presented in this annual site environmental report. This report summarizes the environmental protection, restoration, and monitoring programs in place at Sandia National Laboratories, Tonopah Test Range during calendar year 2023. Environmental topics include cultural resource management, chemical management, air quality, ecology, environmental restoration, oil storage, site sustainability, terrestrial surveillance, waste management, water quality, wastewater discharge, and implementation of the National Environmental Policy Act. This report is prepared in accordance with and as required by DOE O 231.1B, Admin Change 1, Environment, Safety and Health Reporting, and has been approved for public distribution.

54 ENVIRONMENTAL SCIENCES↗

2023 Annual Site Environmental Report for Sandia National Laboratories, Kaua‘i Test Facility, Hawai‘i

Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration. The National Nuclear Security Administration’s Sandia Field Office administers the contract and oversees contractor operations at the Sandia National Laboratories Kaua‘i Test Facility in Hawai‘i. Activities at the site are conducted in support of U.S. Department of Energy weapons programs, and the site has operated as a rocket preparation launching and tracking facility since 1962. The U.S. Department of Energy and its management and operating contractor are committed to safeguarding the environment, assessing sustainability practices, and ensuring the validity and accuracy of the monitoring data presented in this annual site environmental report. This report summarizes the environmental protection, restoration, and monitoring programs in place at Sandia National Laboratories, Kaua‘i Test Facility, during calendar year 2023. Environmental topics include cultural resource management, chemical management, air quality, meteorology, ecology, oil storage, site sustainability, terrestrial surveillance, waste management, water quality, wastewater discharge, and implementation of the National Environmental Policy Act. This report is prepared in accordance with and as required by DOE O 231.1B, Admin Change 1, Environment, Safety and Health Reporting, and has been approved for public distribution.

54 ENVIRONMENTAL SCIENCES↗

2023 Annual Site Environmental Report for Sandia National Laboratories, Albuquerque, New Mexico

Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration. The National Nuclear Security Administration’s Sandia Field Office administers the contract and oversees contractor operations at Sandia National Laboratories, New Mexico. Activities at the site support research and development programs with a wide variety of national security missions, resulting in technologies for nonproliferation, homeland security, energy and infrastructure, and defense systems and assessments. The U.S. Department of Energy and its management and operating contractor are committed to safeguarding the environment, assessing sustainability practices, and ensuring the validity and accuracy of the monitoring data presented in this annual site environmental report. This report summarizes the environmental protection and monitoring programs in place at Sandia National Laboratories, New Mexico, during calendar year 2023. Environmental topics include cultural resource management, chemical management, air quality, ecology, environmental restoration, oil storage, site sustainability, terrestrial surveillance, waste management, water quality, and implementation of the National Environmental Policy Act. This report is prepared in accordance with and as required by DOE O 231.1B, Admin Change 1, Environment, Safety and Health Reporting, and has been approved for public distribution.

54 ENVIRONMENTAL SCIENCES↗

Assessment of Cementitious Composites for High-Temperature Geothermal Wells

High-temperature (HT) geothermal wells can provide green power 24 hours a day, 7 days a week. Under harsh environmental and operational conditions, the long-term durability requirements of such wells require special cementitious composites for well construction. This paper reports a comprehensive assessment of geothermal cement composites in cyclic pressure function laboratory tests and field exposures in an HT geothermal well (300–350 °C), as well as a numerical model to complement the experimental results. Performances of calcium–aluminate cement (CAC)-based composites and calcium-free cement were compared against the reference ordinary Portland cement (OPC)/silica blend. The stability and degradation of the tested materials were characterized by crystalline composition, thermo-gravimetric and elemental analyses, morphological studies, water-fillable porosity, and mechanical property measurements. All CAC-based formulations outperformed the reference blend both in the function and exposure tests. The reference OPC/silica lost its mechanical properties during the 9-month well exposure through extensive HT carbonation, while the properties of the CAC-based blends improved over that period. The Modified Cam-Clay (MCC) plasticity parameters of several HT cement formulations were extracted from triaxial and Brazilian tests and verified against the experimental results of function cyclic tests. These parameters can be used in well integrity models to predict the field-scale behavior of the cement sheath under geothermal well conditions.

15 GEOTHERMAL ENERGY↗

Modeling the Electronic Absorption Spectra of the Indocarbocyanine Cy3

Accurate modeling of optical spectra requires careful treatment of the molecular structures and vibronic, environmental, and thermal contributions. The accuracy of the computational methods used to simulate absorption spectra is limited by their ability to account for all the factors that affect the spectral shapes and energetics. The ensemble-based approaches are widely used to model the absorption spectra of molecules in the condensed-phase, and their performance is system dependent. The Franck–Condon approach is suitable for simulating high resolution spectra of rigid systems, and its accuracy is limited mainly by the harmonic approximation. In this work, the absorption spectrum of the widely used cyanine Cy3 is simulated using the ensemble approach via classical and quantum sampling, as well as, the Franck–Condon approach. The factors limiting the ensemble approaches, including the sampling and force field effects, are tested, while the vertical and adiabatic harmonic approximations of the Franck–Condon approach are also systematically examined. Our results show that all the vertical methods, including the ensemble approach, are not suitable to model the absorption spectrum of Cy3, and recommend the adiabatic methods as suitable approaches for the modeling of spectra with strong vibronic contributions. We find that the thermal effects, the low frequency modes, and the simultaneous vibrational excitations have prominent contributions to the Cy3 spectrum. The inclusion of the solvent stabilizes the energetics significantly, while its negligible effect on the spectral shapes aligns well with the experimental observations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Improved scaling laws for stage inert mass of space propulsion systems. Volume 2: System modeling and weight data

Technical models and analytical approaches used to develop the weight data for vehicle system concepts using advanced technology are reported. Weight data are supplied for the following major system elements: engine, pressurization, propellant containers, structural shells and secondary structure, and environmental protection shields for the meteoroid and thermal design requirements. Scaling laws, improved and a simplified set, are developed from the system weight data. The laws consider the implications of the major design parameters and mission requirements on the stage inert mass.

Source record↗

Energy supply and its effect on aircraft of the future. II - Liquid-hydrogen-fueled aircraft: Prospects and design issues.

The performance of hydrogen-fueled commercial aircraft is examined in the subsonic, supersonic, and hypersonic speed regime and compared with JP-fueled systems. Hydrogen aircraft are shown to provide substantial improvements in range and payload fraction as well as to minimize or eliminate many environmental problems. The major elements of a development program required to make hydrogen-fueled aircraft a commercial reality are also outlined and the rationale for and characteristics of both a subsonic demonstrator and a high speed research airplane are described.

Kirkham, F. S.↗

Studies of encapsulant materials for terrestrial solar-cell arrays

Study 1 of this contract is entitled ""Evaluation of World Experience and Properties of Materials for Encapsulation of Terrestrial Solar-Cell Arrays.'' The approach of this study is to review and analyze world experience and to compile data on properties of encapsulants for photovoltaic cells and for related applications. The objective of the effort is to recommend candidate materials and processes for encapsulating terrestrial photovoltaic arrays at low cost for a service life greater than 20 years. The objectives of Study 2, ""Definition of Encapsulant Service Environments and Test Conditions,'' are to develop the climatic/environmental data required to define the frequency and duration of detrimental environmental conditions in a 20-year array lifetime and to develop a corresponding test schedule for encapsulant systems.

Carmichael, D. C.↗

The solar power satellite concept - The past decade and the next decade

Results of studies on the solar power satellite concept, currently under evaluation by NASA and the Department of Energy, are summarized. The basic advantages provided by the concept are the near-continuous access to sunlight and the freedom from atmospheric effects and cloud cover. The systems definition studies have considered photovoltaic and thermal energy conversion systems and found both to be technically feasible, with the photovoltaic approach being currently preferred. A microwave test program is under way which will provide quantitative data on critical parameters, including beam forming and steering accuracy. Ballistic and winged launch vehicles have been defined for the transportation of construction materials, with the Shuttle expected to provide low-cost transportation to and from space. A reference system has been outlined for evaluating the concept in terms of environmental and other considerations. Preliminary estimates of natural resource requirements and energy payback intervals are encouraging.

Kraft, C. C., Jr.↗