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All sources NASA NTRS DOE OSTI

DOE OSTI2015

Alkaline earth stannates: The next silicon?

Semiconductor materials are being used in an increasingly diverse array of applications, with new device concepts being proposed each year for solar cells, flat-panel displays, sensors, memory, and spin transport. This rapid progress of invention outpaces the development of new semiconductor materials with the required properties and performance. In many applications, high carrier mobility at room temperature is required in addition to specific functional properties critical to the device concept. We review recent developments on high mobility stannate perovskite oxide materials and devices.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Imaging phonon dynamics with ultrafast electron microscopy: Kinematical and dynamical simulations

Ultrafast x-ray and electron scattering techniques have proven to be useful for probing the transient elastic lattice deformations associated with photoexcited coherent acoustic phonons. Indeed, femtosecond electron imaging using an ultrafast electron microscope (UEM) has been used to directly image the influence of nanoscale structural and morphological discontinuities on the emergence, propagation, dispersion, and decay behaviors in a variety of materials. Here, we describe our progress toward the development of methods ultimately aimed at quantifying acoustic-phonon properties from real-space UEM images via conventional image simulation methods extended to the associated strain-wave lattice deformation symmetries and extents. Using a model system consisting of pristine single-crystal Ge and a single, symmetric Lamb-type guided-wave mode, we calculate the transient strain profiles excited in a wedge specimen and then apply both kinematical- and dynamical-scattering methods to simulate the resulting UEM bright-field images. While measurable contrast strengths arising from the phonon wavetrains are found for optimally oriented specimens using both approaches, incorporation of dynamical scattering effects via a multi-slice method returns better qualitative agreement with experimental observations. Contrast strengths arising solely from phonon-induced local lattice deformations are increased by nearly an order of magnitude when incorporating multiple electron scattering effects. We also explicitly demonstrate the effects of changes in global specimen orientation on the observed contrast strength, and we discuss the implications for increasing the sophistication of the model with respect to quantification of phonon properties from UEM images.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Phases of the hydrogen isotopes under pressure: metallic hydrogen

Hydrogen is the simplest molecule in nature. One of the key problems and challenges in condensed matter physics is to understand the phases, properties, and structure of hydrogen as a function of pressure and temperature. Over 80 years ago Wigner and Huntington predicted that if solid molecular hydrogen was sufficiently compressed, it would transform to an atomic metal. Later, a second pathway emerged; it was predicted that if heated to high temperatures under pressure it would transform to liquid atomic hydrogen; this form of metallic hydrogen makes up ~90% of the planet Jupiter. The prediction of high temperature superconductivity of solid atomic metallic hydrogen stimulated the experimental community to produce this material . For decades hydrogen defied the experimental efforts to transform it. Using diamond anvil cells, metallic hydrogen has recently been produced at a pressure of ~5 million atmospheres, significantly greater than the pressure at the center of the earth. Liquid atomic metallic hydrogen has been produced at temperatures of a few thousand degrees Kelvin in diamond anvil cells, as well as in dynamic experiments. We review the seemingly simple, but actually complex properties of this quantum solid and metal and the decades of development and progress to achieve this important fundamental result.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Magnetic correlations and pairing tendencies of the hybrid stacking nickelate superlattice La 7 Ni 5 O 17 (La 3 ⁢Ni 2 ⁢O 7 /La 4 Ni 3 ⁢O 10 ) under pressure

Motivated by the recent rapid progress in high-𝑇 𝑐 nickelate superconductors, we comprehensively study the physical properties of the alternating bilayer trilayer stacking nickelate La 7 ⁢Ni 5 ⁢O 17 . The high-symmetry phase of this material, without the tilting of oxygen octahedra, is not stable at ambient conditions but becomes stable under high pressure, where a small hole pocket 𝛾 0 , composed of the 𝑑 3⁢𝑧 2 −𝑟 2 states in the trilayer sublattice, appears. Here, this pocket was identified in our previous work for trilayer La 4 ⁢Ni 3 ⁢O 10 as important to develop superconductivity. Moreover, using random-phase approximation calculations, we find a leading 𝑠 ± pairing state for the high-symmetry phase under pressure with similar pairing strength as that obtained previously for the bilayer La 3⁢ Ni 2 ⁢O 7 compound, suggesting a similar or higher superconducting transition temperature 𝑇 𝑐 , at the random-phase approximation level. In addition, we find that the dominant magnetic fluctuations in the system driving this pairing state have antiferromagnetic structure both in-plane and between the planes of the top and bottom trilayer and bilayer sublattices, while the middle trilayer is magnetically decoupled.

Zhang, Yang [Univ. of Tennessee, Knoxville, TN (Un↗

DOE OSTI2019

Solving the Structure and Dynamics of Metal Nanoparticles by Combining X-Ray Absorption Fine Structure Spectroscopy and Atomistic Structure Simulations

Extended X-ray absorption fine structure (EXAFS) spectroscopy is a premiere method for analysis of the structure and structural transformation of nanoparticles. Extraction of analytical information about the three-dimensional structure and dynamics of metal–metal bonds from EXAFS spectra requires special care due to their markedly non-bulk-like character. In recent decades, significant progress has been made in the first-principles modeling of structure and properties of nanoparticles. Here, we summarize new approaches for EXAFS data analysis that incorporate particle structure modeling into the process of structural refinement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Progress on Beam-Plasma Effect Simulations in Muon Ionization Cooling Lattices

New computational tools are essential for accurate modeling and simulation of the next generation of muon-based accelerators. One of the crucial physics processes specific to muon accelerators that has not yet been simulated in detail is beam-induced plasma effect in liquid, solid, and gaseous absorbers. We report here on the progress of developing the required simulation tools and applying them to study the properties of plasma and its effects on the beam in muon ionization cooling channels.

43 PARTICLE ACCELERATORS↗

DOE OSTI2017

Gas Release as a Deformation Signal

Radiogenic noble gases are contained in crustal rock at inter and intra granular sites. The gas composition depends on lithology, geologic history, fluid phases, and the aging effect by decay of U, Th, and K. The isotopic signature of noble gases found in rocks is vastly different than that of the atmosphere which is contributed by a variety of sources. When rock is subjected to stress conditions exceeding about half its yield strength, micro-cracks begin to form. As rock deformation progresses a fracture network evolves, releasing trapped noble gases and changing the transport properties to gas migration. Thus, changes in gas emanation and noble gas composition from rocks could be used to infer changes in stress-state and deformation. The purpose of this study has been to evaluate the effect of deformation/strain rate upon noble gas release. Four triaxial experiments were attempted for a strain rate range of %7E10-8 /s (180,000s) to %7E 10-4/s (500s); the three fully successful experiments (at the faster strain rates) imply the following: (1) helium is measurably released for all strain rates during deformation, this release is in amounts 1-2 orders of magnitude greater than that present in the air, and (2) helium gas release increases with decreasing strain rate.

58 GEOSCIENCES↗

DOE OSTI2024

A Novel Approach to Investigate Thermal Protection Systems Materials

The Koo Research Group (KRG) at The University of Texas at Austin (UT) and KAI has specialized in “Ablation Research” for more than fifteen years. Recently, the group has developed several incredibly unique capabilities that can advance “Thermal Protection Systems (TPS) Materials Research & Development” using an integrated experimental and numerical approach. The paper aims to introduce the methodology KRG has developed to solve this challenging problem. It will discuss how the KRG develops “Process-Properties-Performance” relationships of novel TPS materials in a systematical approach using (a) processing and fabrication, (b) thermal characterization of properties, (c) aerothermal testing, (d) microstructures characterization and analysis, and (e) numerical modeling. Progress and challenges of this research will also be discussed.

Engineering↗

DOE OSTI2022

Observing Arctic Sea Ice

Our understanding of Arctic sea ice and its wide-ranging influence is deeply rooted in observation. Advancing technologies have profoundly improved our ability to observe Arctic sea ice, document its processes and properties, and describe atmosphere-ice-ocean interactions with unprecedented detail. Yet, our progress toward better understanding the Arctic sea ice system is mired by the stark disparities between observations that tend to be siloed by method, scientific discipline, and application. This article presents a review and philosophical design for observing sea ice and accelerating our understanding of the Arctic sea ice system. We give a brief history of Arctic sea ice observations and showcase the 2018 melt season within the context of five observational themes: spatial heterogeneity, temporal variability, cross-disciplinary science, scalability, and retrieval uncertainty. We synthesize buoy data, optical imagery, satellite retrievals, and airborne measurements to demonstrate how disparate data sets can be woven together to transcend observational-scale issues. The results show that there are limitations to interpreting any single data set alone. However, many of these limitations can be surmounted by combining observations that cross spatial and temporal scales. We conclude the article with pathways toward coordinating across observational platforms in order to: (1) optimize the scientific, operational, and community return on observational investments, and (2) facilitate a richer understanding of Arctic sea ice and its role in the climate system.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1986

Extensive air showers (HE-4)

Ultra high energy (UHE) gamma ray astronomy is an exciting area which has added a new sense of purpose to ground based array work. There is much to be done before UHE gamma ray showers can be understood properly and it is important to remain conservative with claims while the properties of such showers are still not clear. The muon content is only one of the properties that needs to be clarified. It remains to be seen how well progress occurs on the second order problem of detailed interaction parameters once the gross features are clarified. The shower disk thickness has become an area of intense study with interest in Linsley's technique for measuremnts of giant showers and in the study of structure near the core for improving fast timing and studying delayed subshowers. Perhaps the most significant area of promise for the future is individual shower develpments with Cerenkov and, particularly, air fluorescence techniques. The importance and potential of having relatively complete information on a complete set of individual showers can hardly be overestimated. A complete understanding of the observation process is needed to determine whether or not the recorded data set is complete at a given energy, apparent core distance, and zenith angle.

Clay, R. W.↗

NASA NTRS1987

Validation of EDQNM for subgrid and supergrid models

From preliminary calculations it was concluded that the two-point Eddy Damping Quasi-Normal Markovian (EDQNM) closure accurately describes the behavior of second order moments. This closure can be applied as subgrid and supergrid models for Large Eddy Simulations at higher Reynolds numbers. In the case of homogeneous anisotropic turbulence, when the nonlinear terms are introduced the calculation becomes quite onerous but is still considerably less expensive than the calculation of a DS. The major merit of two-point closure models is that they can be easily applied to flows at Reynolds numbers that are unreachable by a DS. Work is in progress to derive expressions for the nonlinear terms that give good global conservation properties.

Orlandi, P.↗

NASA NTRS2000

The Ceres S'COOL Project: Two Years After First Launch

The idea for the Students' Cloud Observations OnLine (S'COOL) project as an outreach and education element of NASA's Clouds and the Earth's Radiant Energy System (CERES) research program was conceived in late 1996 during a conversation with a middle school science teacher. S'COOL was implemented in a series of increasingly developed test phases during 1997, as the launch of the first CERES instrument approached. Even before launch, the reception of the project in schools far exceeded expectations. After several delays the first instrument, on the Tropical Rainfall Measuring Mission (TRMM) spacecraft, was launched on Thanksgiving Day, 1997. Since the first launch, development and expansion of the project has continued with expectations for launch of Terra carrying two CERES instruments into a polar orbit in mid-1998. That launch is now expected in fall 1999, and will finally provide overflight of all participating schools. In two years, the project has grown from three initial test participants to over 300 schools now participating in 23 countries on five continents. Students from first grade through university level are involved (most participants are ages 10-15). S'COOL is also being used by a few education professors to teach about Internet use in the classroom. The project continues to grow through word of mouth, presentations at teacher workshops, and now increasingly through teachers who find it during web searches. Participants in the S'COOL project are part of the CERES validation team. They provide ground truth measurements at the time the CERES instrument flies over their location, to be compared with the retrieval of cloud properties by remote sensing from CERES. Quantities reported include cloud type, height, fraction and opacity; information on contrails; surface temperature, pressure and relative humidity; and ground cover (snow/ice, wet, dry; leaves on trees or not). in addition, a comment field on the report form serves as a catch-all for all kinds of interesting observations, including similes written by some classes to describe more exactly the clouds they see. Several not totally unexpected complications with the CERES instrument and processing software mean that the CERES team has not yet reached the point of computing the cloud properties, a high level product at the end of the processing stream. However, progress is being made and we anticipate that we will soon be populating the S'COOL database with a large number of satellite retrievals for comparison with the students' observations. Some satellite retrievals from the initial test phases are already available in the database, The CERES instruments are planned to operate at least through 2006, and the S'COOL Project is planned to continue at least that long, providing motivational learning to as many students as possible. This paper reports on the first several years of the S'CCOL project. It further reports on some of the noteworthy observations and comparisons made possible by this project. Schools are often located in interesting places, in terms of the clouds found there and the satellite's ability to observe these clouds. The paper also reports on the learning opportunities delivered by this project, and on new questions about the planet and its climate which arise in the students' minds as a result of their active participation.

Chambers, Lin H.↗

NASA NTRS2000

Space Plasma Physics

Dr. James L. Horwitz and R. Hugh Comfort's studies with the high altitude TIDE data have been progressing well. We concluded a study on the relationship of polar cap ion properties observed by TIDE near apogee with solar wind and IMF conditions. We found that in general H+ did not correlate as well as O+ with solar wind and IMF parameters. O+ density correlated(sub IMF), and Kp. At lower solar wind speeds, O+ density decreased with increasing latitude, but this trend was not observed at higher solar wind speeds. By comparing these results with results from other studies of O+ in different parts of the magnetosphere, we concluded that O+ ions often leave the ionosphere near the foot point of the cusp/cleft region, pass through the high-altitude polar cap lobes, and eventually arrive in the plasma sheet. We found that H+ outflows are a persistent feature of the polar cap and are not as dependent on the geophysical conditions; even classical polar wind models show H+ ions readily escaping owing to their low mass. Minor correlations with solar wind drivers were found; specifically, H+ density correlated best with IMF By, V(sub sw)B(sub IMF), and ESW(sub sw).

Wu, S. T.↗

NASA NTRS2014

Advanced Compatibility Characterization Of AF-M315E With Spacecraft Propulsion System Materials Project

All spacecraft require propulsion systems for thrust and maneuvering. Propulsion systems can be chemical, nuclear, electrical, cold gas or combinations thereof. Chemical propulsion has proven to be the most reliable technology since the deployment of launch vehicles. Performance, storability, and handling are three important aspects of liquid chemical propulsion. Bipropellant systems require a fuel and an oxidizer for propulsion, but monopropellants only require a fuel and a catalyst for propulsion and are therefore simpler and lighter. Hydrazine is the state of the art propellant for monopropellant systems, but has drawbacks because it is highly hazardous to human health, which requires extensive care in handling, complex ground ops due to safety and environmental considerations, and lengthy turnaround times for reusable spacecraft. All users of hydrazine monopropellant must contend with these issues and their associated costs. The development of a new monopropellant, intended to replace hydrazine, has been in progress for years. This project will apply advanced techniques to characterize the engineering properties of materials used in AF-M315E propulsion systems after propellant exposure. AF-M315E monopropellant has been selected HQ's Green Propellant Infusion Mission (GPIM) to replace toxic hydrazine for improved performance and reduce safety and health issues that will shorten reusable spacecraft turn-around time. In addition, this project will fundamentally strengthen JSC's core competency to evaluate, use and infuse liquid propellant systems.

McClure, Mark B.↗

NASA NTRS2022

The Puzzling Structure of Solar Convection: Window into the Dynamo

The operation of the solar dynamo, with all of its remarkable spatio-temporal ordering, remains an outstanding problem of modern solar physics. A number of mechanisms that might plausibly contribute to its operation have been proposed, but the relative role played by each remains unclear. This uncertainty stems from continuing questions concerning the speed and structure of deep-seated convective flows. Those flows are in-turn thought to sustain both the Sun’s turbulent EMF and the large-scale flows of differential rotation and meridional circulation suspected of influencing the dynamo’s organization and timing. Ultimately, the convective and large-scale flow structure derive from the Coriolis force. When the Coriolis effect is weak (rapid convective flow), convection exhibits little organization in its spatial structure, and the meridional flow is expected to assume a single-celled profile within each hemisphere. Convection subject to strong Coriolis forces instead organizes into compact, spiraling columnar structures and sustains meridional flows that possess multiple cells in latitude and radius. The implications for the dynamo in these two regimes are substantial, impacting the flux-transport properties of any assumed meridional flow and the convectively-driven EMF. Continued progress in this area is complicated by (i) inconsistencies between helioseismic measurements of convective and meridional flow made with different techniques and instruments, and (ii) a lack of high-latitude data for convection, differential rotation, and meridional flow. We suggest that the path forward to resolving these difficulties is twofold. First, the acquisition of long-term helioseismic and emissivity measurements obtained from a polar vantage point is vital to complete our picture of the Sun’s outer convection zone. Second, sustained and expanded investment in theory-oriented and combined theory/observational research initiatives will be crucial to fully exploit these new observations and to resolve inconsistencies between existing measurements.

SMD↗

DOE OSTI2016

Large Scale Metal Additive Techniques Review

In recent years additive manufacturing made long strides toward becoming a main stream production technology. Particularly strong progress has been made in large-scale polymer deposition. However, large scale metal additive has not yet reached parity with large scale polymer. This paper is a review study of the metal additive techniques in the context of building large structures. Current commercial devices are capable of printing metal parts on the order of several cubic feet compared to hundreds of cubic feet for the polymer side. In order to follow the polymer progress path several factors are considered: potential to scale, economy, environment friendliness, material properties, feedstock availability, robustness of the process, quality and accuracy, potential for defects, and post processing as well as potential applications. This paper focuses on current state of art of large scale metal additive technology with a focus on expanding the geometric limits.

Nycz, Andrzej↗

DOE OSTI2016

Mechanical and Thermal Properties of Irradiated SiC/SiC Composites: Bridge Continuum Models With Atomic-level Simulations

Due to their excellent high-temperature fracture, creep, corrosion, and thermal shock resistance in addition to their high thermo-chemical stability, reduced activation, and low radiation- induced after heat, silicon carbide-fiber/silicon carbide-matrix (SiC/SiC) composites are being developed as structural materials for first wall and breeder blanket applications in advanced fusion power plants. In such applications these materials will be subjected to a high heat flux that imposes extremely stringent requirements on the minimum thermal conductivity needed. Also, SiC offers a number of potential applications for both electron devices and structural components as an inert matrix for the transmutation of plutonium and as cladding material for gas-cooled fission reactor. There has been a rapid growth of activity in the experimental study and the modeling of energetic-beam interactions, such as those encountered in ion-beam processing or in irradiation environments, on the structure and properties of SiC. During the last decade, understanding the basics of ion-solid interaction and irradiation damage has led to significant developments in state-of-the-art atomic-level, meso-scale simulations and continuum models of mechanical and thermal property prediction, and these different scales studies have dramatically advanced the understanding of defect and defect processes in a number of materials, ranging from metals to semiconductors to insulators. Recent progress in multi-scale simulations of fundamental ion-solid interactions, defect generation and defect evolution in SiC, as well as its property degradation under irradiation, is reviewed, which will provide significant insights into the radiation resistance behavior of SiC and SiC/SiC composites. (authors)

36 MATERIALS SCIENCE↗

DOE OSTI2021

Lyman-α transmission properties of the intergalactic medium in the CoDaII simulation

ABSTRACT The decline in abundance of Lyman-α (Lyα) emitting galaxies at z ≳ 6 is a powerful and commonly used probe to constrain the progress of cosmic reionization. We use the CoDaII simulation, which is a radiation hydrodynamic simulation featuring a box of ∼94 comoving Mpc side length, to compute the Lyα transmission properties of the intergalactic medium (IGM) at z ∼ 5.8 to 7. Our results mainly confirm previous studies, i.e. we find a declining Lyα transmission with redshift and a large sightline-to-sightline variation. However, motivated by the recent discovery of blue Lyα peaks at high redshift, we also analyse the IGM transmission on the blue side, which shows a rapid decline at z ≳ 6 of the blue transmission. This low transmission can be attributed not only to the presence of neutral regions but also to the residual neutral hydrogen within ionized regions, for which a density even as low as $n_{\rm HI}\sim 10^{-9}\, \mathrm{cm}^{-3}$ (sometimes combined with kinematic effects) leads to a significantly reduced visibility. Still, we find that $\sim 1{{\ \rm per\ cent}}$ of sightlines towards M1600AB ∼ −21 galaxies at z ∼ 7 are transparent enough to allow a transmission of a blue Lyα peak. We discuss our results in the context of the interpretation of observations.

Gronke, Max (ORCID:000000032491060X)↗