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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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NASA Hypersonic Technology Project (HTP) Sic/Sic Research for Hypersonic Airframe Hot Structures

NASA, DoD, and industry have a vision for reusable hypersonic vehicles (Mach > 5). The realization of this vision will require high-specific-strength, high-temperature, reusable structures. In the sub-sonic and super-sonic flight regimes, high-specific-strength structures can be obtained via the use of aluminum, titanium, and composite materials. In the high-temperature environments associated with hypersonic flight, high specific strength is obtained via refractory-composite materials. NASA Langley Research Center has multiple efforts focused on evaluating refractory-composites for use as airframe hot structures for reusable hypersonic vehicles. Current efforts span the entire building-block approach, including coupon, element, subcomponent, and component manufacturing and testing. The coupon level work includes progressive damage testing and analysis, restrained thermal growth testing, stressed oxidation testing, and evaluation of laminate properties for several layup architectures. Element testing includes evaluation of over-temperature capability and co-processed bonding, fastener development, and analysis and testing of beaded (corrugated) panels. Subcomponent level work includes a solid rocket motor booster fin and a portion of a control surface, and component level work includes a control surface static test article. The current presentation will provide an update of work being performed at NASA, which is expected to transition refractory-composite materials to reusable hypersonic vehicles.

Hot structures↗
DOE OSTI2024

HHH whitepaper

Abstract We here report on the progress of the HHH Workshop, that took place in Dubrovnik in July 2023. After the discovery of a particle that complies with the properties of the Higgs boson of the Standard Model, all Standard Model (SM) parameters are in principle determined. However, in order to verify or falsify the model, the full form of the potential has to be determined. This includes the measurement of the triple and quartic scalar couplings. We here report on ongoing progress of measurements for multi-scalar final states, with an emphasis on three SM-like scalar bosons at 125$$\,\text {Ge}\hspace{-.08em}\text {V}$$ Ge V , but also mentioning other options. We discuss both experimental progress and challenges as well as theoretical studies and models that can enhance such rates with respect to the SM predictions.

Physics↗
NASA NTRS2005

Passive Remote Sensing of Aerosols

Remote sensing of aerosol optical and microphysical properties got a resurgence in the 1970s when John Reagan and Ben Herman initiated a program to develop and implement a surface-based sunphotometer system to monitor spectral aerosol optical thickness at the University of Arizona. In this presentation I will review the state of the technology used to monitor aerosol optical and microphysical properties, including the determination of spectral aerosol optical thickness and total ozone content. This work continued with John Reagan developed a surface-based spectral flux radiometer to implement Ben Herman's idea to determine the imaginary part of the complex refractive index of aerosols using the recently developed diffuse-direct technique. Progress made both in surface-based instrumentation, inversion theory for analyzing such data, and in satellite observations of aerosol optical and microphysical properties will be reviewed to highlight the state of knowledge after 30 years of expanded capability and introduction of novel new capabilities, both from the ground and from spacecraft.

King, Michael D.↗
DOE OSTI2021

Roadmap for thermal property measurements of Molten Salt Reactor systems

Thermal properties of molten salts, both with and without fissile and fertile material, are fundamental to modeling and simulation that supports design, construction, operation, and accident progression evaluation of molten salt reactors. This roadmap provides guidance to the research community on the types and amounts of required data for base, or carrier, salt systems, recommends simulated burnup fuel salt compositions to evaluate, and provides a technical foundation for a focused salt property evaluation matrix. The property values generated from both computation and experimental methods are used to develop models that constitute the Molten Salt Thermal Properties Database (MSTDB). While the building blocks of MSTDB are fundamental in nature, its data facilitates constructing engineering models that allow stakeholders to investigate the behavior of specific compositions of interest and supports broader modeling and simulation of MSRs through coupling to multi-physics, multi-scale mass accountancy tools.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Thermomechanical Properties of Hafnium Hydride for Radiation Shielding in Tokamak Devices

The development of effective neutron shielding materials is of paramount importance for the progression of fusion technologies with the aim of producing clean and sustainable energy for future generations. This study demonstrates the successful fabrication of a promising candidate material for shielding applications, hafnium hydride, through the powder metallurgy process. Powder metallurgy fabrication resulted in the production of 91% dense, crack-free, ε-phase HfH 2 pellets with a hydrogen-to-metal ratio of 1.89 to 2.00. Resonant ultrasound spectroscopy (RUS) was used to measure a Young’s modulus of 34.52 ± 2.70 GPa and a shear modulus of 12.25 ± 0.18 GPa. Nanoindentation techniques have been used to establish a hardness value of 4.45 ± 1.63 GPa, and a Young’s modulus of 47.8 ± 6.4 GPa was determined using Poison’s ratio from RUS. Hydrogen release was measured using thermogravimetric analysis and appeared to occur in three different regimes as the sample transitioned through the ε- and δ-phases. Heat capacity matched literature data up to 600 K, after which a rapid increase was observed due to phase transformations occurring with hydrogen loss.

Hafnium hydride↗
DOE OSTI2016

2015 Progress Report/July 2016: Iron Oxide Redox Transformation Pathways: The Bulk Electrical Conduction Mechanism

Despite decades of research on the reactivity and stable isotope properties of Fe oxides, the ability to describe the redox behavior of Fe oxides in the environment is still quite limited. This is due, in large part, to the analytical and spatial complexities associated with studying microscopic processes at the Fe oxide-water interface. This project had the long-term vision of filling this gap by developing a detailed understanding of the relationship between interfacial ET processes, surface structure and charge, and mineral semiconducting properties. We focused on the Fe(III)-oxides and oxyhydroxides because of their geochemical preponderance, versatility in synthesis of compositionally, structurally, and morphologically tailored phases, and because they are amenable to a wide range of surface and bulk properties characterization. In particular, reductive transformation of phases such as hematite (α-Fe 2 O 3 ) and goethite (α-FeOOH) in aqueous solution can serve as excellent model systems for studies of electron conduction processes, as well as provide valuable insights into effect of nanoscale conductive materials on contaminant fate at DOE sites. More specifically, the goal of the Iowa component of this project was to use stable Fe isotope measurements to simultaneously measure isotope specific oxidation states and concentrations of Fe at the hematite-water and goethite-water interface. This work builds on our previous work where we used an innovative combination of 57 Fe Mössbauer spectroscopy and high precision isotope ratio measurements (MC-ICP-MS) to probe the dynamics of the reaction of aqueous Fe(II) with goethite. Mössbauer spectroscopy detects 57 Fe only among all other Fe isotopes and we have capitalized on this to spectroscopically demonstrate Fe(II)-Fe(III) electron transfer between sorbed Fe(II) and Fe(III) oxides (Handler, et al., 2009; Gorski, et al. 2010; Rosso et al., 2010). By combining the Mössbauer spectroscopy and stable isotopes measurements, we have been able to simultaneously track the oxidation state and isotope concentration of the bulk Fe oxide and aqueous Fe. One of our most compelling findings is that despite the apparent stability of the Fe(II)-goethite system, there is actually a tremendous amount of Fe atom cycling occurring between the aqueous phase and the bulk goethite as indicated by the isotopic composition of both phases approaching the mass balance average (Handler et al., 2009). How such extensive re-crystallization and Fe atom exchange can occur with no significant morphological change is a fascinating question. Based on previous work from PI Rosso’s group showing that a potential gradient across hematite crystal faces leads to conduction through hematite and growth and dissolution at separate crystal faces we proposed that a redox-driven recrystallization could be occurring that would explain the extensive mixing observed with the isotope data. From our previous studies utilizing Mössbauer spectroscopy, we know that sorption of Fe(II) onto goethite results in electron transfer between the sorbed Fe(II) and the structural Fe(III) in goethite. Oxidation of the sorbed Fe(II) produces growth of goethite on goethite (i.e., homoepitaxy), as well as injection of an electron into goethite. It is possible that electron transfer from sorbed Fe(II) occurs across a potential gradient, and that Fe(II) atoms are dissolved at a different location on the goethite surface. These newly-reduced Fe(II) atoms could then dissolve into the aqueous phase, exposing fresh Fe(III) goethite to the aqueous phase. Through a repeated series of these five steps of sorption–electron transfer–crystal growth–conduction– dissolution, a redox-driven conveyor belt, could be established that would allow all of the goethite to be eventually exposed to the aqueous phase and exchanged. This surface-mediated recrystallization process would result in similar Fe isotope distributions in the aqueous phase and goethite particle, as we have observed here. It would also result in a stable aqueous Fe(II) concentration, if there were equal rates of goethite growth and dissolution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

The Assessment and Validation of Mini-Compact Tension Test Specimen Geometry and Progress in Establishing Technique for Fracture Toughness Master Curves for Reactor Pressure Vessel Steels

Small specimens are playing the key role in evaluating properties of irradiated materials. The use of small specimens provides several advantages. Typically, only a small volume of material can be irradiated in a reactor at desirable conditions in terms of temperature, neutron flux, and neutron dose. A small volume of irradiated material may also allow for easier handling of specimens. Smaller specimens reduce the amount of radioactive material, minimizing personnel exposures and waste disposal. However, use of small specimens imposes a variety of challenges as well. These challenges are associated with proper accounting for size effects and transferability of small specimen data to the real structures of interest. Any fracture toughness specimen that can be made out of the broken halves of standard Charpy specimens may have exceptional utility for evaluation of reactor pressure vessels (RPVs) since it would allow one to determine and monitor directly actual fracture toughness instead of requiring indirect predictions using correlations established with impact data. The Charpy V-notch specimen is the most commonly used specimen geometry in surveillance programs. Assessment and validation of mini-CT specimen geometry has been performed on previously well characterized HSST Plate 13B, an A533B class 1 steel. It was shown that the fracture toughness transition temperature measured by these Mini-CT specimens is within the range of To values that were derived from various large fracture toughness specimens. Moreover, the scatter of the fracture toughness values measured by Mini-CT specimens perfectly follows the Weibull distribution function providing additional proof for validation of this geometry for the Master Curve evaluation of rector pressure vessel steels. Moreover, the International collaborative program has been developed to extend the assessment and validation efforts to irradiated weld metal. The program is underway and involves ORNL, CRIEPI, and EPRI.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Progress Towards a Neutral Current $\pi^0$ Cross Section Analysis in the NOvA Near Detector

The NOvA neutrino experiment is attempting to measure properties of neutrinos in order to figure out information about the universe. To detect the signal neutrino interactions, we must determine methods to identify and isolate background events. Research focused on a specific background interaction called a single prong neutral current $\pi^0$ interaction. To do this, a basic cuts based analysis was performed, followed by feeding data into a multi-variate analysis package using a boosted decision tree (BDT) algorithm. Using the BDT, a a new variable was generated which separates signal and background very efficiently. Further work must still be done in order to continue improving the performance of the BDT. This research is valuable to the field of studying neutrino cross sections as it is a background which will always be present in this type of analysis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Preparation, Properties, and Application of Lignocellulosic-Based Fluorescent Carbon Dots

We report that carbon dots (CDs) are a relatively new type of fluorescent carbon material with excellent performance and widespread application. As the most readily available and widely distributed biomass resource, lignocellulosics are a renewable bioresource with great potential. Research into the preparation of CDs with lignocellulose (LC-CDs) has become the focus of numerous researchers. Compared with other carbon sources, lignocellulose is low cost, rich in structural variety, exhibits excellent biocompatibility, and the structures of CDs prepared by lignin, cellulose, and hemicellulose are similar. This Review summarized research progress in the preparation of CDs from lignocellulosics in recent years and reviewed traditional and new preparation methods, physical and chemical properties, optical properties, and applications of LC-CDs, providing guidance for the formation and improvement of LC-CDs. In addition, the challenges of synthesizing LC-CDs were also highlighted, including the interaction of different lignocellulose components on the formation of LC-CDs and the nucleation and growth mechanism of LC-CDs; from this, current trends and opportunities of LC-CDs were examined, and some research methods for future research were put forward.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Force fields for monovalent and divalent metal cations in TIP3P water based on thermodynamic and kinetic properties

Metal cations are essential in many vital processes. In order to capture the role of different cations in all-atom molecular dynamics simulations of biological processes, an accurate parametrization is crucial. Here, we develop force field parameters for the metal cations Li + , Na + , K + , Cs + , Mg 2+ , Ca 2+ , Sr 2+ , and Ba 2+ in combination with the TIP3P water model that is frequently used in biomolecular simulations. In progressing toward improved force fields, the approach presented here is an extension of previous efforts and allows us to simultaneously reproduce thermodynamic and kinetic properties of aqueous solutions. We systematically derive the parameters of the 12-6 Lennard-Jones potential which accurately reproduces the experimental solvation free energy, the activity derivative, and the characteristics of water exchange from the first hydration shell of the metal cations. In order to reproduce all experimental properties, a modification of the Lorentz-Berthelot combination rule is required for Mg 2+ . As a result, using a balanced set of solution properties, the optimized force field parameters aim to capture the fine differences between distinct metal cations including specific ion binding affinities and the kinetics of cation binding to biologically important anionic groups.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2009

Coronal Holes

This paper reviews measurements of the plasma properties in coronal holes and how these measurements are used to reveal details about the physical processes that heat the solar corona and accelerate the solar wind. Evidence is presented for both heating and acceleration of the solar wind by open flux tubes energized by footpoint-driven wave-like fluctuations, and for intermittent energy deposition from closed loops into the open-field regions. Special emphasis is given to spectroscopic and coronagraphic measurements that allow the highly dynamic nonequilibrium evolution of the plasma to be followed as the asymptotic conditions in interplanetary space are established in the extended corona. For example, the importance of kinetic plasma physics and turbulence in coronal holes has been affirmed by surprising measurements from the UVCS instrument on SOHO that heavy ions are heated to hundreds of times the temperatures of protons and electrons. These observations point to specific kinds of collisionless Alfven wave damping (i.e., ion cyclotron resonance). Despite our incomplete knowledge of the complex multi-scale plasma physics, much progress has been made toward the goal of understanding the physical processes ultimately responsible for producing the observed properties of coronal holes.

Cranmer, Steven R.↗
DOE OSTI2019

Synthesis of Biomass-Derived Ethers for Use as Fuels and Lubricants

Ethers synthesized from biomass-derived compounds have exceptional properties as fuels, lubricants, and specialty chemicals and can serve as replacements for petroleum-derived products. Recent efforts have identified heterogeneous catalysts for the selective synthesis of ethers from alcohols, aldehydes, ketones, furans, esters, olefins, carboxylic acids, and other molecules derived from biomass. This Review highlights the scope of etherification reactions and provides insights into the choice of catalysts and reaction conditions best suited for producing targeted ethers from the available starting materials. First, the properties of ethers for specific applications and the methods by which synthons for ether synthesis can be obtained from biomass are discussed. Then the progress that has been made on the synthesis of ethers via the following methods is summarized: direct etherification of alcohols; reductive etherification of alcohols with aldehydes or ketones; etherification of furanic compounds, esters, and carboxylic acids; and the addition of alcohols to olefins. Next, the mechanisms of these reactions and catalyst properties required to promote them are discussed, with the goal of understanding how reaction conditions can be tuned to optimize catalyst activity and selectivity towards desired ethers. Finally, the Review closes by examining the tradeoffs between catalyst selectivity, activity, stability, and reaction conditions required to achieve the most economically and environmentally favorable routes to biomass-derived ethers.

09 BIOMASS FUELS↗
DOE OSTI2022

Carbon Nanotube Devices for Quantum Technology

Carbon nanotubes, quintessentially one-dimensional quantum objects, possess a variety of electrical, optical, and mechanical properties that are suited for developing devices that operate on quantum mechanical principles. The states of one-dimensional electrons, excitons, and phonons in carbon nanotubes with exceptionally large quantization energies are promising for high-operating-temperature quantum devices. Here, we discuss recent progress in the development of carbon-nanotube-based devices for quantum technology, i.e., quantum mechanical strategies for revolutionizing computation, sensing, and communication. We cover fundamental properties of carbon nanotubes, their growth and purification methods, and methodologies for assembling them into architectures of ordered nanotubes that manifest macroscopic quantum properties. Most importantly, recent developments and proposals for quantum information processing devices based on individual and assembled nanotubes are reviewed.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Thermostructural responses of carbon phenolics in a restrained thermal growth test

The thermostructural response of carbon phenolic components in a solid rocket motor (SRM) is a complex process. It involves simultaneous heat and mass transfer along with chemical reactions in a multiphase system with time-dependent material properties and boundary conditions. In contrast to metals, the fracture of fiber-reinforced composites is characterized by the initiation and progression of multiple failures of different modes such as matrix cracks, interfacial debonding, fiber breaks, and delamination. The investigation of thermostructural responses of SRM carbon phenolics is further complicated by different failure modes under static and dynamic load applications. Historically, there have been several types of post-firing anomalies found in the carbon phenolic composites of the Space Shuttle SRM nozzle. Three major failure modes which have been observed on SRM nozzles are pocketing (spallation), ply-lift, and wedge-out. In order to efficiently control these anomalous phenomena, an investigation of fracture mechanisms under NASA/MSFC RSRM (Redesigned Solid Rocket Motor) and SPIP (Solid Propulsion Integrity Program) programs have been conducted following each anomaly. This report reviews the current progress in understanding the effects of the thermostructural behavior of carbon phenolics on the failure mechanisms of the SRM nozzle. A literature search was conducted and a technical bibliography was developed to support consolidation and assimilation of learning from the RSRM and SPIP investigation efforts. Another important objective of this report is to present a knowledge-based design basis for carbon phenolics that combines the analyses of thermochemical decomposition, pore pressure stresses, and thermostructural properties. Possible areas of application of the knowledge-based design include critical material properties development, nozzle component design, and SRM materials control.

Wang, C. Jeff↗
DOE OSTI2019

Many-Body State Description of Single-Molecule Electroluminescence Driven by a Scanning Tunneling Microscope

Electron transport and optical properties of a single molecule in contact with conductive materials have attracted considerable attention because of their scientific importance and potential applications. With the recent progress in experimental techniques, especially by virtue of scanning tunneling microscope (STM)-induced light emission, where the tunneling current of the STM is used as an atomic-scale source for induction of light emission from a single molecule, it has become possible to investigate single-molecule properties at subnanometer spatial resolution. Despite extensive experimental studies, the microscopic mechanism of electronic excitation of a single molecule in STM-induced light emission has yet to be clarified. Here we present a formulation of single-molecule electroluminescence driven by electron transfer between a molecule and metal electrodes based on a many-body state representation of the molecule. The effects of intramolecular Coulomb interaction on conductance and luminescence spectra are investigated using the nonequilibrium Hubbard Green’s function technique combined with first-principles calculations. We compare simulation results with experimental data and find that the intramolecular Coulomb interaction is crucial for reproducing recent experiments for a single phthalocyanine molecule. The developed theory provides a unified description of the electron transport and optical properties of a single molecule in contact with metal electrodes driven out of equilibrium, and thereby, it contributes to a microscopic understanding of optoelectronic conversion in single molecules on solid surfaces and in nanometer-scale junctions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Exploring superconductivity at the edge of magnetic or structural instabilities

Modern research of condensed matters devotes in understanding how properties of complex solids are determined by their structural and electronic degrees of freedom. In the last decade, the discovery of Fe-based high-temperature superconductors as well as the discovery of protected surface state in bulk materials arising from the non-trivial topological electronic structures have brought revolutionary breakthroughs, advancing our understanding of the interplay of structure, band topology, spin and charge degrees of freedom to a new level. Despite the exciting progresses, significant materials challenges remain. To address such challenges, our research funded by this award focuses on the design, synthesis and property characterization of two types of quantum materials. One is quasi-two-dimensional materials with structural/magnetic instability, the other is topological materials, especially the “ideal” ones where only minimum non-trivial bands exist at the Fermi level. The objective of our research is to design quantum materials that lie at the edge of structural/magnetic instabilities as well as the ones with non-trivial band topology, aiming at the discovery of quantum materials with emergent phenomena and the in-depth understanding of the entanglement of band topology and various degrees of freedoms through thermodynamic, transport, X-ray, and neutron measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Ketohexokinase is involved in fructose utilization and promotes tumor progression in glioma

Highlights: • KHK was overexpressed in glioma and correlated with glioma malignancy and patients' poor survival. • Silencing KHK could significantly inhibit glioma cell proliferation and migration in fructose medium. • Culturing glioma cells in fructose medium could promote the expression of KHK and increase cells malignancy progression. Many studies have pinpointed that fructose could be utilized as a carbon source in some cancers, and we also defined that glioma cells could utilize fructose to maintain themselves survival and proliferation depending on GLUT5 expression recently. However, ketohexokinase (KHK), as a key enzyme involved in fructose catabolism, drew less attention in cancers, especially in glioma. In the present study, we first analyzed the expression levels of KHK in glioma tissues and the correlations of KHK expression with clinicopathological variables of patients with glioma. Meanwhile, we detected the effect of silencing KHK on the biological functions of glioma cells in fructose medium. From the results, we found that KHK was expressed at significantly higher level in glioma tissues than in non-tumor brain, and KHK expression was significantly correlated with tumor malignancy and poor survival of glioma patients (p < 0.01). Functionally, knockdown of KHK could significantly inhibit cell proliferation and migration of glioma cells in fructose medium. Furthermore, we investigated the KHK expression level after long-time treatment with fructose, and detected the change of cell biological behaviour, then we found that the expression level of KHK was significantly increased and these cells showed more malignant properties. Taken together, our results suggest that high fructose diet and KHK overexpression are correlated with glioma malignant progression and patients' poor survival, and we believe this hypothesis would open the door for novel therapeutic agents and mentalities for glioma.

60 APPLIED LIFE SCIENCES↗