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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Dissipation of radiation energy in concentrated solid-solution alloys: Unique defect properties and microstructural evolution

The effort to develop metallic alloys with increased structural strength and improved radiation performance has focused on the incorporation of either solute elements or microstructural inhomogeneities to mitigate damage. The recent discovery and development of single-phase concentrated solid-solution alloys (SP-CSAs) has prompted fundamental questions that challenge established theories and models currently applicable to conventional alloys. Here, the current understanding of electronic and atomic effects, defect evolution, and microstructure progression suggests that radiation energy dissipates in SP-CSAs at different interaction strengths via energy carriers (electrons, phonons, and magnons). Modification of electronic- and atomic-level heterogeneities and tailoring of atomic transport processes can be realized through tuning of the chemical complexity of SP-CSAs by the selection of appropriate elements and their concentrations. Fundamental understanding of controlling energy dissipation via site-to-site chemical complexity reveals new design principles for predictive discovery and guided synthesis of new alloys with targeted functionalities, including radiation tolerance.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Chapter 2: Thermal Energy Storage for Energy Decarbonization

Thermal energy storage (TES) deployed with concentrating solar power (CSP) has shown value and capabilities in generating dispatchable power. It has attracted significant interest for potential roles in energy storage for various capacities and applications. Energy storage plays an important role in expanding renewable generation and is becoming indispensable in future carbon-free electric power. TES development and deployment provide various possibilities for electric storage and have shown advantages in capacity and flexibility to support renewable integration. In addition, renewable energy integrated with a low-cost TES system can potentially provide a reliable thermal energy supply to displace fossil fuels for broad decarbonization. Varieties of TES technologies and developments breed new areas of growth in TES materials, designs, components, and system configurations, which provide opportunities for substantial cost reduction and performance improvements to meet the technoeconomic challenges in practical applications. This chapter will describe recent progress in thermal energy storage research and development and primarily focus on sensible heat storage and its applications in supplying reliable electricity and industry process heat by integrating with variable renewable energy.

concentrating solar thermal power↗
DOE OSTI2015

Power module packaging with double sided planar interconnection and heat exchangers

A double sided cooled power module package having a single phase leg topology includes two IGBT and two diode semiconductor dies. Each IGBT die is spaced apart from a diode semiconductor die, forming a switch unit. Two switch units are placed in a planar face-up and face-down configuration. A pair of DBC or other insulated metallic substrates is affixed to each side of the planar phase leg semiconductor dies to form a sandwich structure. Attachment layers are disposed on outer surfaces of the substrates and two heat exchangers are affixed to the substrates by rigid bond layers. The heat exchangers, made of copper or aluminum, have passages for carrying coolant. The power package is manufactured in a two-step assembly and heating process where direct bonds are formed for all bond layers by soldering, sintering, solid diffusion bonding or transient liquid diffusion bonding, with a specially designed jig and fixture.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Micro- and nano-scale techniques to explore bacteria and fungi interactions with silicate minerals

Biogeochemical interfaces such as bacteria-mineral, fungi-mineral, and water-mineral are hot spots for important processes and reactions in all environments. Studying these interfaces are useful over a range of spatial and temporal scales in order to understand elemental cycles, soil formation, restoration, and bioremediation. Advancement of micro- and nano-scale techniques lead to new discoveries about reactions and interactions at the heterogeneous interface of bacteria, fungi, and minerals. The current state-of-art of analytical techniques allows to study solid, liquid, and gas phases and their interactions with biological components and often permits simultaneous study of chemical and physical properties in a site-specific manner. Improved techniques not only increased spatial and temporal resolution with site specificity but also decreased sample preparation, artifact generation, sample size requirements and analytical time. There are limitations and challenges that still need to be overcome while studying the very heterogeneous microbe-mineral interface, but improved accessibility to beam time at the synchrotron facilities and instrument time at the user laboratories offer some solutions. This review chapter focuses on a subset of the available micro- and nano-scale techniques: electron and atomic force microscopy, and X-ray based spectroscopy of traditional and synchrotron-based applications.

Slicate minerals, microscopy, microbes↗
DOE OSTI2025

Direct study of changes in catalyst structure-kinetic properties during redox transitions using a new time-resolved technique

Direct study of changes in catalyst structure-kinetic properties during redox transitions using a new time-resolved technique The Temporal Analysis of Products (TAP) pulse response methodology1 is a transient technique offering the time scale needed to deconvolve many reaction steps from the complex network typical to industrial catalytic processes. The traditional TAP measurement observes the gas phase dynamic response but, hereto now, has been devoid of any direct measurement of change in the catalyst itself. The development of an operando technique that couples gas phase transient kinetics to dynamic metal centers and surface species is presented. Significance Unification of the TAP methodology with time-resolved spectroscopic measurement can offer unprecedented insight into the complex kinetic phenomena regulated by the solid catalyst.

03 - NATURAL GAS↗
DOE OSTI2014

Preparation, photoluminescent properties and luminescent dynamics of BaAlF{sub 5}:Eu{sup 2+} nanophosphors

Graphical abstract: Rice-shaped BaAlF{sub 5}:Eu{sup 2+} nanophosphors were synthesized via one-pot hydrothermal process. The as-prepared BaAlF{sub 5}:Eu{sup 2+} are composed of many particles with an average diameter of 40 nm. When excited at 260 nm, the sharp line emission located at 361 nm of Eu{sup 2+} was observed. The optimum doping concentration of Eu{sup 2+} was confirmed to be 5 mol%. The strong ultraviolet emission of Eu{sup 2+} ions in BaAlF{sub 5}:Eu{sup 2+} nanoparticles suggests that these nanoparticles may have potential applications for sensing, solid-state lasers and spectrometer calibration. - Highlights: • BaAlF{sub 5}:Eu{sup 2+} nanophosphors were synthesized via a mild hydrothermal process. • The Van and Huang models were used to research the mechanism of concentration quenching. • The optimum doping concentration of Eu2+ was confirmed to be 5 mol%. - Abstract: Eu{sup 2+}-doped BaAlF{sub 5} nanophosphors were synthesized via a facile one-pot hydrothermal method. The final products were characterized by X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), and photoluminescence (PL) spectroscopy. XRD results showed that the prepared samples are single-phase. The FE-SEM and TEM images indicated that the prepared BaAlF{sub 5}:Eu{sup 2+} nanophosphors are composed of many rice-shaped particles with an average diameter of 40 nm. When excited at 260 nm, BaAlF{sub 5}:Eu{sup 2+} nanophosphors exhibit the sharp line emissions of Eu{sup 2+} at room temperature. The optimum doping concentration of Eu{sup 2+} was confirmed to be 5 mol%. The Van and Huang models were used to study the mechanism of concentration quenching and the electric dipole–dipole interaction between Eu{sup 2+} can be deduced to be a dominant for quenching fluorescence in BaAlF{sub 5}:Eu{sup 2+} nanophosphors. The strong ultraviolet emission of Eu{sup 2+} in BaAlF{sub 5}:Eu{sup 2+} nanophosphors suggests that these nanoparticles may have potential applications for sensing, spectrometer calibration and solid-state lasers.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Copolymerization of CO and N 2 to Extended CON 2 Framework Solid at High Pressures

Synthesis of novel extended forms of nitrogen and nitrogen-rich materials has been a topic of interest in development of high-energy-density materials. Here, we present the formation of high-density (3.983 g/cm 3 ) copolymer CON 2 , formed in crystalline form by laser heating of CO–N 2 mixtures above 1700 K and 45 GPa—a substantially lower pressure–temperature condition than those required for converting pure nitrogen (above 110 GPa and 2000 K). It can be made even at lower pressures ~20 GPa at ambient temperature for amorphous solid. According to the refined structure, the crystalline polymer is made of nitrogen-hybridized, eight-membered rings of singly bonded CON 2 in a three-dimensional framework structure in the space group of P4 3 , as one of the previously predicted structures. Furthermore, unlike the predicted structures, the present P4 3 solid converts back to ε-N 2 -like and δ-N 2 -like molecular phases as pressure unloads to 20 and 10 GPa, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Observing and Modeling the Sequential Pairwise Reactions that Drive Solid‐State Ceramic Synthesis

Abstract Solid‐state synthesis from powder precursors is the primary processing route to advanced multicomponent ceramic materials. Designing reaction conditions and precursors for ceramic synthesis can be a laborious, trial‐and‐error process, as heterogeneous mixtures of precursors often evolve through a complicated series of reaction intermediates. Here, ab initio thermodynamics is used to model which pair of precursors has the most reactive interface, enabling the understanding and anticipation of which non‐equilibrium intermediates form in the early stages of a solid‐state reaction. In situ X‐ray diffraction and in situ electron microscopy are then used to observe how these initial intermediates influence phase evolution in the synthesis of the classic high‐temperature superconductor YBa 2 Cu 3 O 6+ x (YBCO). The model developed herein rationalizes how the replacement of the traditional BaCO 3 precursor with BaO 2 redirects phase evolution through a low‐temperature eutectic melt, facilitating the formation of YBCO in 30 min instead of 12+ h. Precursor selection plays an important role in tuning the thermodynamics of interfacial reactions and emerges as an important design parameter in planning kinetically favorable synthesis pathways to complex ceramic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Multicomponent and Multiphase Lipid Nanotubes Formed by Gliding Microtubule-Kinesin Motility and Phase-Separated Giant Unilamellar Vesicles

Cytoskeletal filaments and motor proteins are critical components in the transport and reorganization of membrane-based organelles in eukaryotic cells. Previous studies have recapitulated the microtubule-kinesin transport system in vitro to dynamically assemble large-scale nanotube networks from multilamellar liposomes and polymersomes. Moving toward more biologically relevant systems, this work examines whether lipid nanotube (LNT) networks can be generated from giant unilamellar vesicles (GUVs) and subsequently characterizes how the lipid composition may be tuned to alter the dynamics, structure, and fluidity of networks. Here, we describe a two-step process in which microtubule motility (i) drives the transport and aggregation of GUVs to form structures with a decreased energy barrier for LNT formation and (ii) extrudes LNTs without destroying parent GUVs, allowing for the formation of large LNT networks. We further show that the lipid composition of the GUV influences formation and morphology of the extruded LNTs and associated networks. For example, LNTs formed from phase-separated GUVs (e.g., liquid–solid phase-separated and coexisting liquid-ordered and liquid-disordered phase-separated) display morphologies related to the specific phase behavior reflective of the parent GUVs. Overall, the ability to form nanotubes from compositionally complex vesicles opens the door to generating lipid networks that more closely mimic the structure and function of those found in cellular systems.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Reduction of Hg II by Mn II

The reduction of Hg II to Hg I or Hg 0 can lead to significant changes in Hg toxicity and mobility in the environment. Photochemical reduction is the primary process for the reduction of Hg II to Hg 0 in sunlit environments; however, dark reduction of HgII can occur via microbial metabolic processes and/or reduction by reduced natural organic matter, Fe II mineral phases, Fe II sorbed to minerals, or aqueous Fe II . Here, in this study, we demonstrate a novel Hg II reduction pathway involving another environmentally relevant reductant, Mn II . Abiotic reduction of Hg II O by Mn II was studied as a function of pH and anion environment (perchlorate, sulfate, chloride) using X-ray absorption spectroscopy to characterize the solid-phase Hg and Mn species. At circumneutral pH of 7.5, about 70% of Hg II was reduced to elemental Hg 0 within 2 h. In contrast, 12 h were needed to achieve the same extent of reduction at pH 6.9. In the presence of sulfate and chloride, Hg I species were formed. Hg II reduction was initially rapid and coupled with the oxidation of soluble Mn II -oxides to insoluble Mn IV -oxides, followed by a significantly slower reduction of Hg II during the Mn II -catalyzed transformation of the Mn IV -oxides to hydroxide and oxyhydroxide minerals. The observed reduction of Hg II by Mn II at circumneutral pH could be an important transformation pathway for environmental Hg, affecting its bioavailability and mobility under mildly reducing conditions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Defect-free-induced Na + disordering in electrode materials

For reaching high-performance of electrode materials, it is generally believed that understanding the structure evolution and heterogeneous alignment effect is the key. Presently, a very simple and universally applicable self-healing method is investigated to prepare defect-free Prussian blue analogs (PBAs) that reach their theoretical capacity as cathode materials for sodium-ion batteries (SIBs). For direct imaging of the local structure and the dynamic process at the atomic scale, we deliver a fast ion-conductive nickel-based PBA that enables rapid Na + extraction/insertion within 3 minutes and a capacity retention of nearly 100% over 4000 cycles. This guest-ion disordered and quasi-zero-strain nonequilibrium solid–solution reaction mechanism provides an effective guarantee for realizing long-cycle life and high-rate capability electrode materials that operate via reversible two-phase transition reaction. Unconventional materials and mechanisms that enable reversible insertion/extraction of ions in low-cost metal–organic frameworks (MOFs) within minutes have implications for fast-charging devices, grid-scale energy storage applications, material discovery, and tailored modification.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Role of electrons in collision cascades in solids. I. Dissipative model

In this article, we present a detailed model for the nonadiabatic coupling between ions and electrons in energetic ion-solid interactions over a wide range of energies in concentrated solid-solution fcc alloys of the 3d transition metals Ni, Co, Fe, and Cr. The model is based on general statistical mechanical principles and results in a stochastic modification of the classical nuclei motion which is parameterized by the first-principles calculation of a dissipation function produced by explicit time-dependent electronic evolution. This model provides a full picture of an entire collision process, from the ballistic to the thermal phases of a cascade, giving a detailed description of the energy exchange between ions and electrons till their final thermalization, removing in this way some ad hoc assumptions used in the state-of-the-art atomistic two-temperature models. Here, this work is separated in two papers; in the present Part I, we report on the ab initio methodology used to translate stopping power and electron-phonon interaction into a parameterized dissipation function; Part II, to be published, addresses the nonadiabatic ion dynamics using our modified Langevin dynamics [Tamm et al. Phys. Rev. Lett. 120, 185501 (2018)] applying the dissipation functions developed here to specific collision cascade events.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Performance of the Fluidized Bed Steam Reforming product under hydraulically unsaturated conditions

Several candidates for supplemental low-activity waste (LAW) immobilization at the Hanford site in Washington State, USA are being considered. One waste sequestering technology considered is Fluidized Bed Steam Reforming (FBSR). The granular product resulting from the FBSR process is composed primarily of an insoluble sodium aluminosilicate matrix with the dominant phases being feldspathoid minerals with a 1:1:1 molar ratio of Na, Al and Si. To demonstrate the durability of the product, which can be disposed of at the unsaturated Integrated Disposal Facility (IDF) at Hanford, a series of tests has been performed using the Pressurized Unsaturated Flow (PUF) system, which allows for the accelerated weathering of the solid materials. The system maintains hydraulically unsaturated conditions, thus mimicking the open-flow and transport properties that will be present at the IDF. Two materials were tested using the system: 1) the FBSR granular product and 2) the FBSR granular product encapsulated in a geopolymer to form a monolith. Results of the experiments show a trend of relatively constant effluent concentration of Na, Si, Al, and Cs as a function of time from both materials. The elements I and Re show a steady release throughout the yearlong test from the granular material but their concentrations seem to be increasing at one year from the monolith material. This result suggests that these two elements may be present in the sodalite cage structure rather than in the predominant nepheline phase because their release occurs at a different rate compared to nepheline phase. Also, these elements to not seem to reprecipitate when released from the starting material. Calculated one-year release rates for Si are on the order of 10 6 g/(m2 d) for the granular material and 10 5 g/(m2 d) for the monolith material while Re release is seen to be two orders of magnitude higher than Si release rates. SEM imaging and XRD analysis show how the alteration of the two materials is dependent on their depth in the column. This phenomenom is a result of depth-dependent solution concentrations giving rise chemical environments that may be supersaturated with respect to a number of mineral phases.

Fluidized Bed Steam Reforming↗
DOE OSTI2015

Localized surface plasmon behavior of Ag-Cu alloy nanoparticles stabilized by rice-starch and gelatin

The purpose of this communication was to understand localized surface plasmon behavior of a series of Ag-Cu alloy nanoparticles capped by rice-starch and gelatin. The structures of dried powders were investigated with the help of X-ray diffraction. The analysis revealed Ag-rich and Cu-rich phases with maximum solid solubility of Cu ∼9 atom per cent; 8 atom per cent and Ag ∼ 16 atom per cent; 14 atom per cent in rice-starch and gelatin capped samples respectively. Transmission electron microscope was used for knowing the particle size as well as to supplement FCC phase formations of Ag-rich and Cu-rich solid phases arrived at based on X-ray diffraction studies. The UV-Vis spectra of sols were examined for the formation and stability of alloy nanoparticles. The temporal evolution of LSPR curves gave us to assert that the sol is stable for more than two months. Small angle X-ray scattering in the sol state was extensively utilized to understand nature of suspensions in terms of fractals. Such a study is important for having a correlation between LSPR behaviors with those of nanoparticle dispersion in aqueous media. It is believed that this work will be a contribution to the emerging field of plasmonics that include applications in the area of photophysical processes and photochemical reactions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Synthesis of high-entropy carbides from multi-metal polymer precursors

Three compositions of high-entropy carbides, (TiHfVNbTa)C, (TiZrHfNbTa)C and (TiZrNbTaW)C were synthesized via a modified Pechini process, in which citric acid served as both a cation chelating agent and a carbon source. Through pyrolysis and spark plasma sintering, single phase high-entropy carbides were formed from the homogeneous precursors at a relatively low temperature of 1800 °C. The dispersion of cations in the polymer precursor facilitated shorter diffusion distances in polymer-derived materials, and thus compositional homogeneity was significantly improved relative to materials produced by a solid-state method, as quantified by a defined coefficient of variation applied to energy-dispersive X-ray spectroscopy. Finally, a finer microstructure in polymer-derived materials results in improved fracture toughness with a K IC value of 4.29 MPa·m 1/2 achieved for (TiHfVNbTa)C.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Heterolytic Scission of Hydrogen Within a Crystalline Frustrated Lewis Pair

We report the heterolysis of molecular hydrogen under ambient conditions by the crystalline frustrated Lewis pair (FLP) 1-{2-[bis(pentafluorophenyl)boryl]phenyl}-2,2,6,6-tetramethylpiperidine (KCAT). The gas–solid reaction provides an approach to prepare the solvent-free, polycrystalline ion pair KCATH2 through a single crystal to single crystal transformation. The crystal lattice of KCATH2 increases in size relative to the parent KCAT by approximately 2%. Microscopy was used to follow the transformation of the highly colored red/orange KCAT to the colorless KCATH2 over a period of 2 h at 300 K under a flow of H2 gas. There is no evidence of crystal decrepitation during hydrogen uptake. Inelastic neutron scattering employed over a temperature range from 4–200 K did not provide evidence for the formation of polarized H2 in a precursor complex within the crystal at low temperatures and high pressures. However, at 300 K, the INS spectrum of KCAT transformed to the INS spectrum of KCATH2. Calculations suggest that the driving force is more favorable in the solid state compared to the solution or gas phase, but the addition of H2 into the KCAT crystal is unfavorable. Ab Initio methods were used to calculate the INS spectra of KCAT, KCATH2, and a possible precursor complex of H2 in the pocket between the B and N of crystalline KCAT. Ex-situ NMR showed that the transformation from KCAT to KCATH2 is quantitative and our results suggest that the hydrogen heterolysis process occurs via H2 diffusion into the FLP crystal with a rate-limiting movement of H2 from inactive positions to reactive sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Phenylated Acene Derivatives as Candidates for Intermolecular Singlet Fission

Singlet fission (SF), a spin-conserving process where one singlet exciton is converted into two triplet excitons, may improve the efficiency of organic photovoltaics. Only a few materials have been experimentally observed to undergo intermolecular SF, most of which are acenes and their derivatives. Using many-body perturbation theory in the GW approximation and the Bethe–Salpeter equation, we systematically investigate the electronic and excitonic properties of tetracene, pentacene, and their phenylated derivatives in the gas phase and solid state. Their potential for SF is evaluated with respect to the thermodynamic driving force and the singlet exciton charge-transfer character. In both the gas phase and solid state, pentacene and its derivatives are more promising than tetracene analogues. Within a family of molecules containing the same acene backbone, increasing the number of phenyl side groups is detrimental for the SF driving force in the gas phase. However, in the solid state, the SF driving force and the exciton character are modulated by intermolecular interactions present within different packing arrangements. Molecules with a higher number of phenyl side groups often form crystals with less cofacial interactions between the acene backbones. These crystals are found to exhibit a higher SF driving force and a higher degree of singlet exciton charge-transfer character. Finally in particular, 5,7,12,14-tetraphenylpentacene, 1,4,6,8,11,13-hexaphenylpentacene, and 1,2,3,4,6,8,9,10,11,13-decaphenylpentacene emerge as promising candidates for intermolecular SF in the solid state.

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

Characterizing Technetium in Subsurface Sediments for Contaminant Remediation

Technetium-99 (Tc) contamination remains a major environmental problem at legacy nuclear reprocessing sites, including the Hanford Site (Washington State, USA) where ~700 Ci of Tc has been released into the subsurface. The environmental risk associated with Tc is due to its long half-life (213,000 years) and high mobility of the oxidized anionic pertechnetate species, Tc(VII)O 4 - , which warranted the US Department of Energy to identify Tc as a primary contaminant of concern. This risk generates a critical need to resolve scientific and technical issues underpinning the ability to safely, cost-effectively, and efficiently remediate Tc-contaminated vadose zone sediments and groundwater and mitigate risk to human health and the environment. Developing enhanced attenuation and efficient remediation strategies for released Tc requires a complete understanding of retardation processes and Tc mass flux, including the different mechanisms by which Tc is immobilized in the subsurface and the effect of localized subsurface conditions. Selection of over 30 sediments from Hanford waste disposal sites, based on historical information and sediment characterization, for analysis by autoradiography revealed that Tc concentrations were generally below the detection limit of 5 mg Tc/g sediment. When Tc was measurable in vadose zone sediments, it was predominantly present as TcO 4 - in water films associated with fine-grained sediments, with a maximum of 12 % of the total Tc present in the acid-extractable fraction, defined here as the immobile fraction. However, beneath one waste disposal site, where sediments containing minerals with reducing capacity intercepted miscellaneous fission product recovery waste and waste from the bismuth phosphate process, the amount of Tc present in the immobile fraction was 53 % of the total. Characterization of Tc-containing phases present in these field-contaminated sediments for the first time using Tc K-edge X-ray absorption near edge structure spectroscopy revealed that, as well as Tc present as Tc(VII)O 4 - in pore water associated with fine-grained sediments, Tc was also: (i) physically encapsulated within solid phases precipitated from other waste components and in multi-component phosphate minerals; and (ii) present as mixed Tc(VII)/Tc(IV) in localized reducing zones. These results will be used to develop improved long-term Tc remediation strategies optimized for field application, through stimulation of conditions that enhance Tc attenuation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗