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DOE OSTI2024

Discovery of charge order above room-temperature in the prototypical kagome superconductor La(Ru1−xFex)3Si2

Abstract The kagome lattice is an intriguing and rich platform for discovering, tuning and understanding the diverse phases of quantum matter, crucial for advancing modern and future electronics. Despite considerable efforts, accessing correlated phases at room temperature has been challenging. Using single-crystal X-ray diffraction, we discovered charge order above room temperature in La(Ru 1−x Fe x ) 3 Si 2 (x= 0, 0.01, 0.05), where charge order related to out-of-plane Ru atom displacements appears belowT CO,I ≃ 400 K. The secondary charge ordered phase emerges belowT CO,II ≃ 80–170 K. Furthermore, first principles calculations reveal both the kagome flat band and the van Hove point near the Fermi energy in LaRu 3 Si 2 , driven by Ru-dz 2 orbitals. Our results identify LaRu 3 Si 2 as the kagome superconductor with the highest known charge ordering temperature, offering a promising avenue for researching room temperature quantum phases and developing related technologies.

Physics↗

NASA NTRSDate not supplied

Assessment of Cloud Fraction Derived from a New Geostationary Satellite Cloud Retrieval Algorithm for CERES and Progress Towards Cross-platform Continuity

For over two decades The Clouds and the Earth’s Radiant Energy System (CERES) project has produced long-term records of top-of-atmosphere (TOA) and surface irradiances for detecting changes in the Earth’s radiation budget and advancing understanding of how clouds contribute to those changes. Accurate characterization of the spatial and temporal distributions of clouds are a critical component for producing CERES datasets. The CERES Cloud Working Group (CWG) derives cloud properties from both geostationary (GEO) and low-Earth orbit (LEO) satellite sensors in order to provide complete global coverage at hourly temporal resolution. However, the use of multiple sensors to provide this spatiotemporal coverage throughout a long-term record presents some challenges, because the various sensors generally have different spectral band characteristics (e.g., spectral band width and response) and spatial resolution. These differences can result in spatial artifacts at the coverage boundary between two sensors or temporal artifacts when one sensor replaces another in the record. For the upcoming Edition 5 release of CERES products, the CWG is developing cloud retrieval algorithms which utilize only spectral bands common to most modern passive satellite radiometers and account for differences in spectral width and response. The goal with this approach is to provide global cloud properties for CERES with greater cross-platform consistency than the previous Edition 4 products and thus mitigate artifacts which are evident at the interface of two sensors. This study focuses on retrieval of total cloud fraction from various GEO sensors, and we use Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) observations to assess the accuracy of total cloud fraction derived from the various sensors. The Edition 5 cloud mask algorithm depends on estimates of cloud-free TOA spectral radiances to differentiate clear and cloudy conditions, and CALIOP is used to assess the accuracy of those estimates when cloud-free conditions are indeed observed.

CALIOP↗

NASA NTRS2017

Finding the Needles in the Haystacks: High-Fidelity Models of the Modern and Archean Solar System for Simulating Exoplanet Observations

We present two state-of-the-art models of the solar system, one corresponding to the present day and one to the Archean Eon 3.5 billion years ago. Each model contains spatial and spectral information for the star, the planets, and the interplanetary dust, extending to 50 au from the Sun and covering the wavelength range 0.3-2.5 micron. In addition, we created a spectral image cube representative of the astronomical backgrounds that will be seen behind deep observations of extrasolar planetary systems, including galaxies and Milky Way stars. These models are intended as inputs to high-fidelity simulations of direct observations of exoplanetary systems using telescopes equipped with high-contrast capability. They will help improve the realism of observation and instrument parameters that are required inputs to statistical observatory yield calculations, as well as guide development of post-processing algorithms for telescopes capable of directly imaging Earth-like planets.

extrasolar planetary systems↗

DOE OSTI2022

Modeling Power Plant Siting Opportunities and Constraints in the Eastern Interconnection

The electrical transmission grid is a critical part of the U.S. national infrastructure, and its modernization is a U.S. Department of Energy (DOE) priority. We describe the Energy Zones Mapping Tool (EZMT), a unique, powerful, and public web-based system with multi-criteria decision analysis (MCDA) models for more than 20 power plant technologies and many other capabilities. Through a case study on natural gas combined cycle (NGCC) power plants in the Eastern Interconnection (EI), we provide an example of incorporating an EZMT MCDA model into a larger planning context, with projections of interconnection-level capacity expansion, thermoelectric power plant retirements, and water availability. Our results provide insights on candidate NGCC site distributions and the criteria influencing them. The case study provides both an efficient methodology for performing similar analyses and hundreds of candidate NGCC power plant sites that can be studied in more detail as potential project sites.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI1995

Nuclear Safety [Vol. 36, No. 2, July-December 1995]

Nuclear Safety is a journal that covers significant issues in the field of nuclear safety. Its primary scope is safety in the design, construction, operation, and decommissioning of nuclear power reactors worldwide and the research and analysis activities that promote this goal, but it also encompasses the safety aspects of the entire nuclear fuel cycle, including fuel fabrication, spent-fuel processing and handling, and nuclear waste disposal, the handling of fissionable materials and radioisotopes, and the environmental effects of all these activities. Table of Contents for this issue follows. THE CHORNOBYL ACCIDENT: 195 The Chornobyl Accident Revisited, Part III: Chernobyl Source Term Release Dynamics and Reconstruction of Events During the Active Phase, A. R. Sich; GENERAL SAFETY CONSIDERATIONS: 218 Second ANS Workshop on the Safety of Soviet-Designed Nuclear Power Plants, R. A. Bari; 234 Elements of a Nuclear Criticality Safety Program, C. M. Hopper; 243 Rickover, Excellence, and Criticality Safety Programs, R. E. Wilson; ACCIDENT ANALYSIS: 249 Transient Analysis of the PIUS Advanced Reactor Design with the TRAC-PF1/MOD2 Code, B. E. Boyack, J. L Steiner, S. C. Harmony, H. J. Stumpf, and J. F. Lime; 278 The Hierarchy-By-Interval Approach to Identifying Important Models that Need Improvement in Severe-Accident Simulation Codes, T. J. Heames, M. Khatib-Rahbar, J. E. Kelly, R. P. Jenks-Johnson, and Y.-S. Chen; 290 RELAP5/MOD3 Code Coupling Model, R. P. Martin; 299 Missiles Caused by Severe Pressurized-Water Reactor Accidents, R. Krieg; DESIGN FEATURES: 310 Validation of COMMIX with Westinghouse AP-600 PCCS Test Data, J. G. Sun, T. H. Chien, J. Ding, and W T. Sha; ENVIRONMENTAL EFFECTS: 321 Spent Nuclear Fuel Characterization for a Bounding Reference Assembly for the Receiving Basin for Off-Site Fuel, S. D. Kahook, R. L. Garrett, L. R. Canas, and M J. Beckum; OPERATING EXPERIENCES: 332 Reactor Shutdown Experience, Compiled by J. W. Cletcher; U.S. NUCLEAR REGULATORY COMMISSION INFORMATION AND ANALYSES: 335 Reactor Coolant System Blowdown at Wolf Creek on September 17, 1994, J. V. Kauffman and S. L. Israel; RECENT DEVELOPMENTS: 344 Reports, Standards, and Safety Guides, D. S. Oueener; 349 Proposed Rule Changes as of June 30, 1995; ANNOUNCEMENTS: 320 Symposium on Acceptability of Risk From Radiation—Application to Manned Space Flight; 320 24th DOE/NRC Nuclear Air Cleaning and Treatment Conference; 361 Radiation Biology and Radiation Protection— Modern Developments and Tendencies in Radiation Biology; 362 1997 IEEE Sixth Conference on Human Factors and Power Plants; 354 The Authors; 360 Reviewers of Nuclear Safety, Vol. 36.

05 NUCLEAR FUELS↗

NASA NTRS1972

Computerized optimal control system design for reusable and expendable boost vehicles.

An optimization technique has been developed which combines the practical features of hybrid simulation of the dynamic system under study with the systematic approach of modern control theory where a mathematically formulated design criterion is optimized by functional minimization. Standard hybrid computer optimization methods using high-speed repetitive simulations and gradient minimization schemes have been extended to obtain time-varying optimal gain schedules and reduce the sensitivity of the optimized system to parameter and disturbance uncertainties. In this approach the performance index is expressed in meaningful engineering terms that reflect the interactions among all major disciplines, structures, control/actuation system design, aerodynamics and performance. The basic optimization technique is developed and its application to current aerospace control problems including the space shuttle is presented in detail. In the discussion of the application, the controllers resulting from the technique are compared with controllers developed by conventional methods. The paper concludes with a review of the advantages and disadvantages of the technique and plans for future applications.

Connor, C. L.↗

NASA NTRS1993

SAW based systems for mobile communications satellites

Modern mobile communications satellites, such as INMARSAT 3, EMS, and ARTEMIS, use advanced onboard processing to make efficient use of the available L-band spectrum. In all of these cases, high performance surface acoustic wave (SAW) devices are used. SAW filters can provide high selectivity (100-200 kHz transition widths), combined with flat amplitude and linear phase characteristics; their simple construction and radiation hardness also makes them especially suitable for space applications. An overview of the architectures used in the above systems, describing the technologies employed, and the use of bandwidth switchable SAW filtering (BSSF) is given. The tradeoffs to be considered when specifying a SAW based system are analyzed, using both theoretical and experimental data. Empirical rules for estimating SAW filter performance are given. Achievable performance is illustrated using data from the INMARSAT 3 engineering model (EM) processors.

Peach, R. C.↗

DOE OSTI1995

Nuclear Safety [Vol. 36, No. 2, July-December 1995]

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS2005

Lavoisier: A Low Altitude Balloon Network for Probing the Deep Atmosphere and Surface of Venus

The in-situ exploration of the low atmosphere and surface of Venus is clearly the next step of Venus exploration. Understanding the geochemistry of the low atmosphere, interacting with rocks, and the way the integrated Venus system evolved, under the combined effects of inner planet cooling and intense atmospheric greenhouse, is a major challenge of modern planetology. Due to the dense atmosphere (95 bars at the surface), balloon platforms offer an interesting means to transport and land in-situ measurement instruments. Due to the large Archimede force, a 2 cubic meter He-pressurized balloon floating at 10 km altitude may carry up to 60 kg of payload. LAVOISIER is a project submitted to ESA in 2000, in the follow up and spirit of the balloon deployed at cloud level by the Russian Vega mission in 1986. It is composed of a descent probe, for detailed noble gas and atmosphere composition analysis, and of a network of 3 balloons for geochemical and geophysical investigations at local, regional and global scales.

Chaasefiere, E.↗

DOE OSTI2020

A regional nuclear conflict would compromise global food security

A limited nuclear war between India and Pakistan could ignite fires large enough to emit more than 5 Tg of soot into the stratosphere. Climate model simulations have shown severe resulting climate perturbations with declines in global mean temperature by 1.8 °C and precipitation by 8%, for at least 5 y. Here we evaluate impacts for the global food system. Six harmonized state-of-the-art crop models show that global caloric production from maize, wheat, rice, and soybean falls by 13 (±1)%, 11 (±8)%, 3 (±5)%, and 17 (±2)% over 5 y. Total single-year losses of 12 (±4)% quadruple the largest observed historical anomaly and exceed impacts caused by historic droughts and volcanic eruptions. Colder temperatures drive losses more than changes in precipitation and solar radiation, leading to strongest impacts in temperate regions poleward of 30°N, including the United States, Europe, and China for 10 to 15 y. Integrated food trade network analyses show that domestic reserves and global trade can largely buffer the production anomaly in the first year. Persistent multiyear losses, however, would constrain domestic food availability and propagate to the Global South, especially to food-insecure countries. By year 5, maize and wheat availability would decrease by 13% globally and by more than 20% in 71 countries with a cumulative population of 1.3 billion people. In view of increasing instability in South Asia, this study shows that a regional conflict using <1% of the worldwide nuclear arsenal could have adverse consequences for global food security unmatched in modern history.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2020

A Regional Nuclear Conflict Would Compromise Global Food Security

A limited nuclear war between India and Pakistan could ignite fires large enough to emit more than 5 Tg of soot into the stratosphere. Climate model simulations have shown severe resulting climate perturbations with declines in global mean temperature by 1.8 ◦C and precipitation by 8%, for at least 5 y. Here we evaluate impacts for the global food system. Six harmonized state-of-the-art crop models show that global caloric production from maize, wheat, rice, and soybean falls by 13 (±1)%, 11 (±8)%, 3 (±5)%, and 17 (±2)% over 5 y. Total single-year losses of 12 (±4)% quadruple the largest observed historical anomaly and exceed impacts caused by historic droughts and volcanic eruptions. Colder temperatures drive losses more than changes in precipitation and solar radiation, leading to strongest impacts in temperate regions poleward of 30◦N, including the United States, Europe, and China for 10 to 15 y. Integrated food trade network analyses show that domestic reserves and global trade can largely buffer the production anomaly in the first year. Persistent multiyear losses, however, would constrain domestic food availability and propagate to the Global South, especially to food-insecure countries. By year 5, maize and wheat availability would decrease by 13% globally and by more than 20% in 71 countries with a cumulative population of 1.3 billion people. In view of increasing instability in South Asia, this study shows that a regional conflict using <1% of the worldwide nuclear arsenal could have adverse consequences for global food security unmatched in modern history.

Jaegermeyr, Jonas↗

DOE OSTI2021

Machine-Learning Microstructure for Inverse Material Design

Metallurgy and material design have thousands of years’ history and have played a critical role in the civilization process of humankind. The traditional trial-and-error method has been unprecedentedly challenged in the modern era when the number of components and phases in novel alloys keeps increasing, with high-entropy alloys as the representative. New opportunities emerge for alloy design in the artificial intelligence era. Here a successful machine-learning (ML) method is developed to identify the microstructure images with eye-challenging morphology for a number of martensitic and ferritic steels. Assisted by it, a new neural-network method is proposed for the inverse design of alloys with 20 components, which can accelerate the design process based on microstructure. The method is also readily applied to other material systems given sufficient microstructure images. This work lays the foundation for inverse alloy design based on microstructure images with extremely similar features.

36 MATERIALS SCIENCE↗

NASA NTRS1990

Numerical experiments in geomagnetic modeling

Numerical tests were made, using least squares fitting of a spherical harmonic model, to a selection of Magsat data to determine the practical limits of this technique with modern computers. The resulting (M102189) model, whose coefficients were adjusted up to n = 50, was compared with M07AV6, a previous model which used least squares (on vector data) for coefficients up to n = 29, and Gauss-Legendre quadrature (on Z residuals) to adjust the coefficients up to n = 63. For the new least squares adjustment to n = 50 a condition number of 115 was obtained for the solution matrix, with a resulting precision of 11 significant figures. The M102189 model shows a lower and more Gaussian residual distribution than did M07AV6, though the Gaussian envelope fits to the residual distributions, even for the scalar field, gives "standard deviations' never lower than 6 nT, a factor of three higher than the estimated Magsat observational errors. Ionospheric currents are noted to have a significant effect on the coefficients of the internal potential functions.

Cain, Joseph C.↗

NASA NTRS1939

Intermittent-flow coefficients of a poppet valve

Flow coefficients were determined for the inlet valve of a modern air-cooled cylinder during operation of the valve. The cylinder head with valves was mounted on a large tank that could be evacuated. Operating the valve with a rotating cam allowed air to flow through the valve into the evacuated tank. The change of pressure in the tank was a measure of the amount of air flowing though the valve in a given number of cycles. The flow coefficients were determined from the pressure across the valve, the quantity of air flowing, and the valve-lift curve. Coefficients were measured with lifts of 0.1 to 0.6 inch and speeds of 130 to 1,200 r.p.m. The results obtained with intermittent flow were compared with the results of tests made with steady flow through this cylinder head. This comparison indicated that steady-flow coefficients can be used for intermittent flow.

Waldron, C D↗

NASA NTRS2017

Small Ion Channel Linking Molecular Simulations and Electrophysiology

Ion channels are pore-forming protein assemblies that mediate the transport of small ions across cell membranes. Otherwise, membrane bilayers would be almost impermeable to ions incapable to traverse the low dielectric constant, hydrophobic membrane core. Ion channels are ubiquitous to all life forms. In humans and other higher organisms they play the central role in conducting nerve impulses, cardiac functions, muscle contraction and apoptosis. On the other extreme of biological complexity, viral ion channels (viroporins) influence many stages of the virus infection cycle either through regulating virus replication, such as entry, assembly and release or modulating the electrochemical balance in the subcellular compartments of host cells. Ion channels were crucial components of protocells. Their emergence facilitated adaptation of nascent life to different environmental conditions. The earliest ion channels must have been much simpler than most of their modern ancestors. Viral channels are among only a few naturally occurring models to study the structure, function and evolution of primordial channels. Experimental studies of these properties are difficult and often unreliable. In principle, computational methods, and molecular dynamics (MD) simulations in particular, can aid in providing information about both the structure and the function of ion channels. However, MD suffers from its own problems, such as inability to access sufficiently long time scales or limited accuracy of force fields. It is, therefore, essential to determine the reliability of MD simulations. We propose to do so on the basis of two criteria. One is channel stability on time scales that extend for several microseconds or longer. The other is the ability to reproduce the measured ionic conductance as a function of applied voltage. If both the stability and the calculated ionic conductance are satisfactory it will greatly increase our confidence that the structure and the function of a channel are described sufficiently accurately. To our knowledge, long time scale stability (approx.10 micro-sec) and the correct electrophysiology have been shown so far for only one channel - the synthetic LS3 hexamer). In this presentation, this approach will be discussed in application to two viral channels - Vpu, encoded by the HIV-1 genome and p7 of hepatitis C.

Pohorille, Andrzej↗

NASA NTRS2004

Practical Pocket PC Application w/Biometric Security

I work in the Flight Software Engineering Branch, where we provide design and development of embedded real-time software applications for flight and supporting ground systems to support the NASA Aeronautics and Space Programs. In addition, this branch evaluates, develops and implements new technologies for embedded real-time systems, and maintains a laboratory for applications of embedded technology. The majority of microchips that are used in modern society have been programmed using embedded technology. These small chips can be found in microwaves, calculators, home security systems, cell phones and more. My assignment this summer entails working with an iPAQ HP 5500 Pocket PC. This top-of-the-line hand-held device is one of the first mobile PC's to introduce biometric security capabilities. Biometric security, in this case a fingerprint authentication system, is on the edge of technology as far as securing information. The benefits of fingerprint authentication are enormous. The most significant of them are that it is extremely difficult to reproduce someone else's fingerprint, and it is equally difficult to lose or forget your own fingerprint as opposed to a password or pin number. One of my goals for this summer is to integrate this technology with another Pocket PC application. The second task for the summer is to develop a simple application that provides an Astronaut EVA (Extravehicular Activity) Log Book capability. The Astronaut EVA Log Book is what an astronaut would use to report the status of field missions, crew physical health, successes, future plans, etc. My goal is to develop a user interface into which these data fields can be entered and stored. The applications that I am developing are created using eMbedded Visual C++ 4.0 with the Pocket PC 2003 Software Development Kit provided by Microsoft.

Logan, Julian↗

NASA NTRS2011

Exploring the Fate of Nitrogen Heterocycles in Complex Prebiotic Mixtures

A long standing question in the field of prebiotic chemistry is the origin of the genetic macromolecules DNA and RNA. DNA and RNA have very complex structures with repeating subunits of nucleotides, which are composed of nucleobases (nitrogen heterocycles) connected to sugar-phosphate. Due to the instability of some nucleobases (e.g. cytosine), difficulty of synthesis and instability of D-ribose, and the likely scarcity of polyphosphates necessary for the modern nucleotides, alternative nucleotides have been proposed for constructing the first genetic material. Thus, we have begun to investigate the chemistry of nitrogen heterocycles in plausible, complex prebiotic mixtures in an effort to identify robust reactions and potential alternative nucleotides. We have taken a complex prebiotic mixture produced by a spark discharge acting on a gas mixture of N2, CO2, CH4, and H2, and reacted it with four nitrogen heterocycles: uracil, 5-hydroxymethyluracil, guanine, and isoxanthopterin (2-amino-4,7-dihydroxypteridine). The products of the reaction between the spark mixture and each nitrogen heterocycle were characterized by liquid chromatography coupled to UV spectroscopy and Orbitrap mass spectrometry. We found that the reaction between the spark mixtUl'e and isoxanthopterin formed one major product, which was a cyanide adduct. 5-hydroxymethyluracil also reacted with the spark mixture to form a cyanide adduct, uracil-5-acetonitrile, which has been synthesized previously by reacting HCN with S-hydroxymethyluracil. Unlike isoxanthopterin, the chromatogram of the 5-hydroxymethyluracil reaction was much more complex with multiple products including spark-modified dimers. Additionally, we observed that HMU readily self-polymerizes in solution to a variety of oligomers consistent with those suggested by Cleaves. Guanine and uracil, the biological nucleobases, did not react with the spark mixture, even at high temperature (100 C). This suggests that there are alternative nucleobases which are more reactive under prebiotic conditions and may have been involved in producing precursor nucleotides.

Smith, Karen E.↗

NASA NTRS2026

Thermochemically-Closed Sonic-Flow Inversion for Enthalpy and Temperature in Multispecies Arc-Jet Flows

A thermochemically-closed sonic-flow inversion framework (TSIF) is developed to infer bulk enthalpy and total temperature upstream of a choked nozzle in arc-jet flows. The formulation recasts a pressure-rise total enthalpy quantification technique as an inverse problem in characteristic-velocity c * space using measured mass flow rate, upstream total pressure, gas composition, and nozzle throat geometry as inputs. Unlike calorimetric energy-balance approaches or optical diagnostics, the method relies primarily on routinely measured facility quantities combined with explicit thermochemical closure. Thermochemical states are obtained using NASA’s open-source Chemical Equilibrium with Applications (CEA) code, enabling construction of a chemistry-consistent relation between characteristic velocity, total enthalpy, and total temperature under equilibrium or frozen assumptions. A discharge coefficient is self-calibrated using cold-flow (arc-off) operation data and applied to hot-flow (arc-on) measurements, enabling upstream losses to be accounted for without empirical correlations. The framework is applied to air, N 2 , and CO 2 –N 2 arc-jet flows and demonstrates expected trends for the inferred thermochemical states as function of arc power, specific energy input, mass-flow, heater configuration, and test gas. In the air limit, under equilibrium assumptions, the method recovers the classical high-enthalpy asymptotic correlation of Winovich with a mean residual of 4.4%, demonstrating compatibility with established sonic-flow scaling, while extending applicability to arbitrary multi-species mixtures and non-equilibrium chemistry. The framework provides a mixture-flexible methodology for determining bulk thermochemical states in modern arc-jet environments using routine facility pressure, mass-flow, gas-composition, and nozzle-geometry information together with a cold-flow calibration.

stagnation heat flux↗