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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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Solid-state battery designed for electric aviation

The demand for higher energy density batteries increases as the demand for portable electronic devices and electric automotive increases, as well as a variety of other applications requiring substantially higher power and energy than attainable with current lithium-ion capabilities which includes the areas of high performance vehicles, military applications, and electric aviation. However, the improvement of energy density is insufficient alone for enabling electric aviation when considering the high flammability and risk of thermal runaway inherent in current state-of-the-art liquid electrolytes. The development of high energy, high power, and safe batteries are required to enable hybrid and fully electric aircraft. Next generation chemistries such as lithium-sulfur provide high theoretical specific energy density suitable for electric aviation without as strict of volumetric requirements observed in the automotive industry. However, due to the phase transition during discharge where sulfur generates a series of soluble intermediate polysulfides, which are lost to the liquid electrolyte, cause detrimental side effects, and severely limit cycle life battery performance is severely reduced. Additionally, the low electrical conductivity of sulfur requires a large amount of inactive carbon dramatically increasing parasitic mass. The dissolution issue make sulfur a desirable candidate to pair with a solid-state electrolyte in order to avoid polysulfide dissolution and shuttling. In addition, inorganic solid-electrolytes have low flammability providing the improved safety required. Combining this chemistry with a solid-state electrolyte provides a path for achieving the energy and safety required for electric aviation. The development of scalable thin solid-state electrolytes paired with lithium-sulfur chemistry will be discussed and how their development will aid in enabling a unique application.

Donald A. Dornbusch↗
DOE OSTI2016

Regulation of the Shutdown Defueling and Decommissioning Reactors in the United Kingdom - 16576

Nuclear policy, including for decommissioning, in the United Kingdom is set by the UK Government. The Nuclear Decommissioning Authority, NDA, is responsible for managing the clean-up of the UK's nuclear legacy which includes the first generation of Magnox power stations. Magnox Ltd (MXL), owned by Cavendish Fluor Partnership, is the licensee and the management and operations contractor responsible for ten Magnox reactor sites and two restoration sites in the UK, working for the sites' owner, NDA. The work of the company is diverse covering electricity generation at Wylfa (until December 2015), defueling, and preparation for an interim end state, known as Care and Maintenance (C and M) which will precede the final site clearance. The C and M phase is expected to last over 75 years during which the sites are maintained in a passively safe and secure state while radiation levels are left to decay naturally. Preparations for this phase include removing fuel from the reactors and storage ponds; retrieving intermediate level waste from current stores and treating it or converting it to forms suitable for long-term storage or disposal and making sure of the integrity of critical safety systems of the de-fuelled reactors. The Decommissioning, Fuel and Waste programme within the Office for Nuclear Regulation, ONR, regulates nuclear safety in the 12 Magnox nuclear licensed sites. ONR works with the environmental regulators who are responsible for environmental protection on nuclear sites. The focus of this paper is the regulation of nuclear safety by ONR across the Magnox sites and the interactions with nuclear security and the environmental aspects required to achieve effective, proportionate and efficient regulation of these sites in the UK. ONR's strategy for regulating the Magnox defueling and decommissioning sites is focused on enabling the licensee to complete the initial stages of decommissioning and reduce the nuclear and radioactive hazards on its sites. To this effect, ONR's revised inspection guidance is centred on inspecting the (remaining) important systems for safety identified in the safety cases. Other interventions focus on engaging with the licensee on safety significant decommissioning projects to gain evidence of the licensee's readiness prior to and during these activities rather than formal assessment of the associated safety cases. In light of reduced hazards and risks across the de-fueled and decommissioning Magnox reactors, ONR's revised regulatory expectation regarding evolution of emergency arrangements during decommissioning is based on key transition points that follow electricity generation. Implementation of these revised strategies as well as organisational restructuring within the team responsible for regulation of the Magnox fleet has resulted in improved efficiency and consistency in regulatory approach whilst securing the required safety standards in managing decommissioning activities. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

SN2002es-like supernovae from different viewing angles

In this article, we compare optical light curves of two SN2002es-like Type Ia supernovae (SNe), iPTF14atg and iPTF14dpk, from the intermediate Palomar Transient Factory. Although the two light curves resemble each other around and after maximum, they show distinct early-phase rise behavior in the r-band. On the one hand, iPTF14atg revealed a slow and steady rise that lasted for 22 days with a mean rise rate of 0.2–0.3 mag day{sup –1}, before it reached the R-band peak (−18.05 mag). On the other hand, iPTF14dpk rose rapidly to −17 mag within a day of discovery with a rise rate >1.8 mag day{sup −1}, and then rose slowly to its peak (−18.19 mag) with a rise rate similar to iPTF14atg. The apparent total rise time of iPTF14dpk is therefore only 16 days. We show that emission from iPTF14atg before −17 days with respect to its maximum can be entirely attributed to radiation produced by collision between the SN and its companion star. Such emission is absent from iPTF14dpk probably because of an unfavored viewing angle, provided that SN2002es-like events arise from the same progenitor channel. We further show that an SN2002es-like SN may experience a dark phase after the explosion but before its radioactively powered light curve becomes visible. This dark phase may be lit by radiation from supernova–companion interaction.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Nucleation of metastable bcc intermediates

Here it is shown, via simple arguments, that any material which posseses an (equilibrium) body-centered cubic(bcc) structure in it’s phase diagram has the capacity to preferentially nucleate a non-equilibrium bcc structure upon solidification, even at pressures outside of the range of bcc field of stability. For example, Mishin EAM Cu contains a liquid-fcc-bcc triple point at high pressure (Bendict, 2016); counter-intuitively, the system will solidify via a bcc-intermediate even at pressures lower than the triple point. Further, we point out that, without this understanding of the kinetics, the phase boundary of fcc-bcc would be determined inconsistently from experiments that quench a liquid vs. the pathway of solid-solid transformation. While the phenomena of bcc-mediated nucleation has been studied theoretically in the Lennard-Jones system at ambient pressure(P.R. ten Wolde and Frenkel, 1995), and the general case for bcc predominance below melting has been made(Alexander and McTague, 1978), here we investigate the bcc formation behavior near a liquid-fcc-bcc triple point (which requires non-ambient pressure) and ask “how far away from the bcc phase of stability can bcc still nucleate?”

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Continuous-flow reactor with superior production rate and stability for CO 2 reduction using semiconductor photocatalysts

Semiconductor photocatalyst approaches for solar CO 2 reduction are attractive due to their simplicity but have lagged in efficiency compared to less-integrated photoelectrochemical (PEC) approaches and to electrolysis reactors. We identify poor mass transport and catalyst deactivation as key constraints. To address them, we have developed a continuous-flow photocatalytic reactor system allowing us to control the triple-phase interface on the photocatalyst surface using the liquid and reactant gas flow rates. With the goal of selectively producing CO, the reactor is optimized by controlling the pressure and flow rates of the reactant gas and electrolyte in contact with both sides with the intermediately placed catalyst. In comparison to batch reactors with an immobile photocatalyst bed and gas phase CO 2 or CO 2 purged water, 10–24 times higher production rates are achieved for photocatalysts such as TiO 2 , ZnO, C 3 N 4 , and CdS by simply changing to the designed flow-type photoreactor without any catalyst modification. In addition, CO selectivity (93.2%) and long-term stability (>780 min) using the designed reactor are significantly enhanced compared to using the batch reactors (71.7%, <180 min for reduced 50% activity). Here, we propose that the enhanced mass transport on the photocatalyst surface accelerates the desorption of the initial photolysis product, CO, and prevents the poisoning effect from deactivating photocatalyst activity. This study has the potential to facilitate the utilization of semiconductor-based photocatalytic reactions for achieving superior performance wih gaseous reactants.

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

Mechanistic Study on the Lewis Acid Catalyzed Synthesis of 1,3-Butadiene over Ta-BEA Using Modulated Operando DRIFTS-MS

In recent years, the on-purpose production of 1,3-butadiene (BD) from renewable resources such as ethanol has received increased attention. In that context, Lewis acid catalysts play an important role, especially in the two-step process, i.e. when a mixture of acetaldehyde and ethanol is used as substrate. As the reaction mechanism consists of many intermediates and occurs over different catalytic functionalities, it is notoriously difficult to gain molecular-level insights into the mechanism. Here, we present a study on Lewis acidic Ta-BEA and propose a plausible reaction mechanism. We developed an operando DRIFTS-MS setup that allows for precise control and analysis of changes in the gas-phase composition as well as surface species. Using this tool, we found a surface intermediate with a vibrational frequency at 1690 cm –1 that is only formed in the presence of both ethanol and crotonaldehyde and that is likely involved in the production of BD. Our data further suggests that a subtle control of the ratio of ethanol to acetaldehyde is crucial to keep a high ethoxy coverage and to desorb the intermediate crotyl alcohol in order to achieve high BD productivity. To the best of our knowledge, this is the first dynamic operando spectroscopic study on this re-emerging reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2015

The THS Experiment: Simulating Titans Atmospheric Chemistry at Low Temperature (200K)

In Titan's atmosphere, composed mainly of N2 (95-98%) and CH4 (2-5%), a complex chemistry occurs at low temperature, and leads to the production of heavy organic molecules and subsequently solid aerosols. Here, we used the Titan Haze Simulation (THS) experiment, an experimental setup developed at the NASA Ames COSmIC simulation facility to study Titan's atmospheric chemistry at low temperature. In the THS, the chemistry is simulated by plasma in the stream of a supersonic expansion. With this unique design, the gas is cooled to Titan-like temperature ( approximately 150K) before inducing the chemistry by plasma, and remains at low temperature in the plasma discharge (approximately 200K). Different N2-CH4-based gas mixtures can be injected in the plasma, with or without the addition of heavier precursors present as trace elements on Titan, in order to monitor the evolution of the chemical growth. Both the gas- and solid phase products resulting from the plasma-induced chemistry can be monitored and analyzed using a combination of complementary in situ and ex situ diagnostics. A recent mass spectrometry[1] study of the gas phase has demonstrated that the THS is a unique tool to probe the first and intermediate steps of Titan's atmospheric chemistry at Titan-like temperature. In particular, the mass spectra obtained in a N2-CH4-C2H2-C6H6 mixture are relevant for comparison to Cassini's CAPS-IBS instrument. The results of a complementary study of the solid phase are consistent with the chemical growth evolution observed in the gas phase. Grains and aggregates form in the gas phase and can be jet deposited on various substrates for ex situ analysis. Scanning Electron Microscopy images show that more complex mixtures produce larger aggregates. A mass spectrometry analysis of the solid phase has detected the presence of aminoacetonitrile, a precursor of glycine, in the THS aerosols. X-ray Absorption Near Edge Structure (XANES) measurements also show the presence of imine and nitrile functional groups, showing evidence of nitrogen chemistry. These complementary studies show the high potential of THS to better understand Titan's chemistry and the origin of aerosol formation.

Laboratory↗
NASA NTRS1993

Capaciflector camera

A capacitive type proximity sensor having improved range and sensitivity between a surface and an intruding object in the vicinity of the surface having a voltage source, a number of outer electrical conductors on the surface with each forming one electrode of a number of sensor capacitors, the other electrode for each sensor capacitor being the object is described. The outer conductors are made from thin sheets of conductive material covered with insulation. An intermediate electrical conductor is located between the outer conductors and the surface and is of a size larger than the outer conductors to act as a shield for reducing the parasitic capacitance between the outer conductors and the surface. The intermediate conductor is also made from a thin sheet of conductive material covered with insulation. The outer conductors and the intermediate conductor are attached to the surface with no gap between the insulation on the conductors and no gap between the surface and the insulation on intermediate conductor, the outer conductors and the intermediate conductor conjoining with each other and with the surface, with the surface acting as a ground plane. A current-measuring voltage follower circuit is connected to the voltage source for coupling in phase and amplitude the instantaneous voltage at the voltage source to the outer electrical conductors and the intermediate electrical conductor. This circuit is responsive to the change in capacitance of the sensor capacitors and generates a number of output signals.

Vranish, John M.↗
NASA NTRS1994

Capaciflector camera

A capacitive type proximity sensor having improved range and sensitivity between a surface and an intruding object in the vicinity of the surface having a voltage source, a number of outer electrical conductors on the surface with each forming one electrode of a number of sensor capacitors, the other electrode for each sensor capacitor being the object. The outer conductors are made from thin sheets of conductive material covered with insulation. An intermediate electrical conductor is located between the outer conductors and the surface and is of a size larger than the outer conductors to act as a shield for reducing the parasitic capacitance between the outer conductors and the surface. The intermediate conductor is also made from a thin sheet of conductive material covered with insulation. The outer conductors and the intermediate conductor are attached to the surface with no gap between the insulation on the conductors and no gap between the surface and the insulation on intermediate conductor, the outer conductors and the intermediate conductor conjoining with each other and with the surface, with the surface acting as a ground plane. A current-measuring voltage follower circuit is connected to the voltage source for coupling in phase and amplitude the instantaneous voltage at the voltage source to the outer electrical conductors and the intermediate electrical conductor. This circuit is responsive to the change in capacitance of the sensor capacitors and generates a number of output signals.

Vranish, John M.↗
DOE OSTI2015

Planck intermediate results: XXVIII. Interstellar gas and dust in the Chamaeleon clouds as seen by Fermi LAT and Planck $\star$

The nearby Chamaeleon clouds have been observed in γ rays by the Fermi Large Area Telescope (LAT) and in thermal dust emission by Planck and IRAS. Cosmic rays and large dust grains, if smoothly mixed with gas, can jointly serve with the H i and 12 CO radio data to (i) map the hydrogen column densities, N H , in the different gas phases, in particular at the dark neutral medium (DNM) transition between the H i -bright and CO-bright media; (ii) constrain the CO-to-H 2 conversion factor, X CO ; and (iii) probe the dust properties per gas nucleon in each phase and map their spatial variations across the clouds. We have separated clouds at local, intermediate, and Galactic velocities in H i and 12 CO line emission to model in parallel the γ-ray intensity recorded between 0.4 and 100 GeV; the dust optical depth at 353 GHz, τ 353 ; the thermal radiance of the large grains; and an estimate of the dust extinction, A VQ , empirically corrected for the starlight intensity. Furthermore, the dust and γ-ray models have been coupled to account for the DNM gas. The consistent γ-ray emissivity spectra recorded in the different phases confirm that the GeV–TeV cosmic rays probed by the LAT uniformly permeate all gas phases up to the 12 CO cores. The dust and cosmic rays both reveal large amounts of DNM gas, with comparable spatial distributions and twice as much mass as in the CO-bright clouds. We give constraints on the H i -DNM-CO transitions for five separate clouds. CO-dark H 2 dominates the molecular columns up to AV ≃ 0.9 and its mass often exceeds the one-third of the molecular mass expected by theory. The corrected A VQ extinction largely provides the best fit to the total gas traced by the γ rays. Nevertheless, we find evidence for a marked rise in A VQ /N H with increasing N H and molecular fraction, and with decreasing dust temperature. The rise in τ 353 /NH is even steeper. Here, we observe variations of lesser amplitude and orderliness for the specific power of the grains, except for a coherent decline by half in the CO cores. This combined information suggests grain evolution. We also provide average values for the dust properties per gas nucleon in the different phases. The γ rays and dust radiance yield consistent X CO estimates near 0.7 × 10 20 cm -2 K -1 km -1 s. The A VQ and τ 353 tracers yield biased values because of the large rise in grain opacity in the CO clouds. These results clarify a recurrent disparity in the γ-ray versus dust calibration of X CO , but they confirm the factor of 2 difference found between the X CO estimates in nearby clouds and in the neighbouring spiral arms.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Prospects for detecting UF6 hydrolysis intermediates by mass spectrometry, resonance Raman, and NQR spectroscopy

Simulations are performed to consider several spectrometric and spectroscopic candidates for elucidating the mechanism of the hydrolysis of uranium hexafluoride (UF6). This study is among the first to benchmark the def-mTZVP basis sets for actinide-containing molecules, and it is shown to be a suitable basis set for surveying geometrical structures and vibrational spectra when used in conjunction with density functional theory. An experiment is proposed coupling mass spectrometric ion selection with vibrational spectroscopy, and supporting infrared and Raman spectral simulations demonstrate that ionization blue-shifts bands and can change their qualitative features. Ultraviolet resonance Raman is shown to have good prospects for discriminating U–O–U bridged intermediates, evidence for which was observed recently [L. E. McNamara et al., J. Phys. Chem. A 130, 775–786 (2026)]. As a more speculative approach, we also consider the prospect of addressing 233U or 235U nuclei by quadrupole resonance (NQR) spectroscopy for assigning early stage intermediate complexes. In doing so, we provide a first order-of-magnitude estimate for the collision-induced NQR signal for the UF6 dimer, which is of interest for the interpretation of a fast decoherence time observed in liquid-phase nuclear magnetic resonance. Having provided critical insights into the formation and stability of UF6 hydrolysis intermediates in previous studies, this computational spectroscopy survey is expected to help guide and expedite future laboratory campaigns.

Lutz, Jesse J. [Center for Computing Research, San↗
DOE OSTI2021

Decoupling Conductivity and Solubility in Electrolytes Using Microemulsions

Redox flow batteries have recently received considerable attention as possible large-scale energy storage devices, but their low energy density has inhibited widespread application. In this work, a novel strategy of decoupling conductivity and solubility of electrolytes using microemulsion is put forward to enhance ionic conduction of non-aqueous electrolytes, increase the selectivity of active species, improve the battery voltage, and eventually achieve the possibility of high energy density. We report a study of the electrochemistry of ferrocene in single phase Tween® 20/1-butanol/H 2 O/toluene microemulsion system at 20 °C. At low and intermediate surfactant to water weight ratios (<0.5/0.5), the voltammogram exhibits reversible electrochemical behavior, while at high surfactant levels the curves show lower levels of reversibility. The latter voltammograms have a form typically associated with high resistance in solution, consistent with a gradual transition in microstructure as surfactant levels increase. This change in structure is supported by correlations with conductivity results based on the literature. The voltammograms show little evidence of anomalies in double layer capacitance or electrode "blocking" by droplets, suggesting that the electron transfer is indeed occurring in a facile manner between the electrode and the ferrocene inside the oil phase.

25 ENERGY STORAGE↗
NASA NTRS2004

The Role of Ontologies in Schema-based Program Synthesis

Program synthesis is the process of automatically deriving executable code from (non-executable) high-level specifications. It is more flexible and powerful than conventional code generation techniques that simply translate algorithmic specifications into lower-level code or only create code skeletons from structural specifications (such as UML class diagrams). Key to building a successful synthesis system is specializing to an appropriate application domain. The AUTOBAYES and AUTOFILTER systems, under development at NASA Ames, operate in the two domains of data analysis and state estimation, respectively. The central concept of both systems is the schema, a representation of reusable computational knowledge. This can take various forms, including high-level algorithm templates, code optimizations, datatype refinements, or architectural information. A schema also contains applicability conditions that are used to determine when it can be applied safely. These conditions can refer to the initial specification, to intermediate results, or to elements of the partially-instantiated code. Schema-based synthesis uses AI technology to recursively apply schemas to gradually refine a specification into executable code. This process proceeds in two main phases. A front-end gradually transforms the problem specification into a program represented in an abstract intermediate code. A backend then compiles this further down into a concrete target programming language of choice. A core engine applies schemas on the initial problem specification, then uses the output of those schemas as the input for other schemas, until the full implementation is generated. Since there might be different schemas that implement different solutions to the same problem this process can generate an entire solution tree. AUTOBAYES and AUTOFILTER have reached the level of maturity where they enable users to solve interesting application problems, e.g., the analysis of Hubble Space Telescope images. They are large (in total around 100kLoC Prolog), knowledge intensive systems that employ complex symbolic reasoning to generate a wide range of non-trivial programs for complex application do- mains. Their schemas can have complex interactions, which make it hard to change them in isolation or even understand what an existing schema actually does. Adding more capabilities by increasing the number of schemas will only worsen this situation, ultimately leading to the entropy death of the synthesis system. The root came of this problem is that the domain knowledge is scattered throughout the entire system and only represented implicitly in the schema implementations. In our current work, we are addressing this problem by making explicit the knowledge from Merent parts of the synthesis system. Here; we discuss how Gruber's definition of an ontology as an explicit specification of a conceptualization matches our efforts in identifying and explicating the domain-specific concepts. We outline the dual role ontologies play in schema-based synthesis and argue that they address different audiences and serve different purposes. Their first role is descriptive: they serve as explicit documentation, and help to understand the internal structure of the system. Their second role is prescriptive: they provide the formal basis against which the other parts of the system (e.g., schemas) can be checked. Their final role is referential: ontologies also provide semantically meaningful "hooks" which allow schemas and tools to access the internal state of the program derivation process (e.g., fragments of the generated code) in domain-specific rather than language-specific terms, and thus to modify it in a controlled fashion. For discussion purposes we use AUTOLINEAR, a small synthesis system we are currently experimenting with, which can generate code for solving a system of linear equations, Az = b.

Bures, Tomas↗
DOE OSTI2016

Intermediate Scale Testing Recommendation Report

A summary of recommendations for near-term intermediate-scale testing pertaining to a salt repository is provided in this report. Each proposal was asked to implement a phased progression, initiating with test plan production in FY 2017 and early-stage testing, if possible. Beyond 2017, testing is anticipated to progress to an underground setting and involve intermediate-scale field activities. Each test concept was presented at the June 6th 2016 meeting in Las Vegas NV and a team of DOE-NE, DOE-EM, and National Laboratory staff discussed the rnerits of each proposal. Discussions among managers and researchers in the weeks following the meeting led to selection of a path forward for phased testing that includes a series of small diarneter borehole tests designed to illuminate thermomechanical processes and potential vapor and brine transport. These tests are intended to be implemented at the WIPP facility and involve collaboration between SNL, LANL, and LBL. This document summarizes the test concepts generated by the te s of researchers and decisions made subsequent to the June 6th meeting.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

ADIABATIC MASS LOSS IN BINARY STARS. II. FROM ZERO-AGE MAIN SEQUENCE TO THE BASE OF THE GIANT BRANCH

In the limit of extremely rapid mass transfer, the response of a donor star in an interacting binary becomes asymptotically one of adiabatic expansion. We survey here adiabatic mass loss from Population I stars (Z = 0.02) of mass 0.10 M{sub ⊙}–100 M{sub ⊙} from the zero-age main sequence to the base of the giant branch, or to central hydrogen exhaustion for lower main sequence stars. The logarithmic derivatives of radius with respect to mass along adiabatic mass-loss sequences translate into critical mass ratios for runaway (dynamical timescale) mass transfer, evaluated here under the assumption of conservative mass transfer. For intermediate- and high-mass stars, dynamical mass transfer is preceded by an extended phase of thermal timescale mass transfer as the star is stripped of most of its envelope mass. The critical mass ratio q{sub ad} (throughout this paper, we follow the convention of defining the binary mass ratio as q ≡ M{sub donor}/M{sub accretor}) above which this delayed dynamical instability occurs increases with advancing evolutionary age of the donor star, by ever-increasing factors for more massive donors. Most intermediate- or high-mass binaries with nondegenerate accretors probably evolve into contact before manifesting this instability. As they approach the base of the giant branch, however, and begin developing a convective envelope, q{sub ad} plummets dramatically among intermediate-mass stars, to values of order unity, and a prompt dynamical instability occurs. Among low-mass stars, the prompt instability prevails throughout main sequence evolution, with q{sub ad} declining with decreasing mass, and asymptotically approaching q{sub ad} = 2/3, appropriate to a classical isentropic n = 3/2 polytrope. Our calculated q{sub ad} values agree well with the behavior of time-dependent models by Chen and Han of intermediate-mass stars initiating mass transfer in the Hertzsprung gap. Application of our results to cataclysmic variables, as systems that must be stable against rapid mass transfer, nicely circumscribes the range in q{sub ad} as a function of the orbital period in which they are found. These results are intended to advance the verisimilitude of population synthesis models of close binary evolution.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Thermochemistry and growth mechanism of SiC nanowires

The chemical reaction thermodynamics and a novel two-stage growth mechanism of SiC nanowires synthesized by carbothermal reduction reactions were investigated based on the Si-C-O systems over a wide temperature range (1050 ≤ T ≤ 2000 K). The carbothermal reduction reaction process involves the fast formation of gaseous SiO and CO crucial intermediates, and the further carbon reduction of SiO to SiC. The relationship between the free energy changes and temperature at different pressures was also discussed. Some fundamental data in the work can help to analyze the thermochemistry of the carbothermal reduction reaction in the Si-C-O system, which is beneficial to optimize the temperature, pressure and the input precursors for controlling the SiC nanowire growth. - Graphical abstract: The chemical reaction thermodynamics of SiC nanowires synthesized by carbothermal reduction reactions was investigated, and a novel two-stage growth mechanism was proposed. The growth mechanism involved the formation of initial SiC embryos by heterogeneous nucleation and the growth of SiC nanowires by a gas-phase reaction. The process involved the fast formation of gaseous SiO and CO crucial intermediates, and the further carbon reduction of SiO to SiC. Display Omitted - Highlights: • The chemical reaction thermodynamics of SiC nanowires are investigated. • A novel two-stage growth mechanism of SiC nanowires is proposed. • The initial SiC particles/embryos can be formed by heterogeneous nucleation. • The gas-phase reaction of SiO and CO is the crucial step for the SiC nanowire growth.

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

AN INNOVATIVE Nb3Sn FILM APPROACH AND ITS POTENTIAL FOR SRF APPLICATIONS

A novel electro-chemical technique to produce Nb3Sn films on Nb substrates was developed and optimized at Fermilab. The Nb3Sn phase is obtained in a two-electrode cell, by electrodeposition from aqueous solutions of Sn lay-ers and Cu intermediate layers onto Nb substrates. Subse-quent thermal treatments in inert atmosphere are realized at a maximum temperature of 700°C to obtain the Nb3Sn superconducting phase. Several superconducting Nb3Sn films were obtained on Nb substrates by studying and op-timizing most parameters of the electro-plating process. Samples were characterized at Fermilab, NIMS, KEK and JLab, including SEM/EPMA analyses, DC and inductive tests of critical temperature Tc0, and lower critical field Hc1(4.2 K) by SQUID. In parallel to sample development and fabrication at FNAL, at JLab and KEK effort was put into etching and electro-polishing techniques adequate to remove the Cu and bronze phases from the samples’ outer surface. This is necessary prior to measurements at JLab of the surface impedance of flat samples in a setup that make use of an RF host cavity.

43 PARTICLE ACCELERATORS↗