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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

The Plunge Phase of Friction Stir Welding

The many advantages of Friction Stir Welding have led to a relatively rapid acceptance in the often conservative welding community. Because the process is so different from traditional fusion welding, with which most investigators are most familiar, there remain many aspects of FSW for which there is no clear consensus. For example, the well known onion rings seen in transverse sections have been variously interpreted as grain size variations, variation in density of second phase particles and parts of the carousel of material rotating with the pin that have been shed from the carousel. Using Orientation Imaging Microscopy, Schneider has recently noted that the onion rings have a different orientation (and hence etch differently) than the surrounding material, and this orientation is consistent with slip plane orientations at the edge of the carousel. Likewise, the forces and torque exerted by the FSW tool on the work piece largely remain unaccounted for. Although these forces are routinely measured by investigators with commercial instrumented welders, they are rarely reported or even qualitatively analyzed. This paper will introduce a model based on a carousel or disk of material that rotates with the tool to estimate the torque and plunge force required to plunge a tool into the work piece. A stationary tool is modeled rather than the moving tool because effects such as thermal transients and metallurgical changes in the sample (primarily aging in aluminum) can be more easily accounted for. It is believed, however, that with some modifications the model should be applicable to a moving tool also.

McClure, John C.↗
DOE OSTI2022

Transformational Solid Oxide Fuel Cell (SOFC) Technology

This project was conducted under the Co-operative Agreement No. DE-FE0027584 with the US Department Energy to developed advanced Solid Oxide Fuel Cell (SOFC) Technologies. The overall objective of this project was to advance SOFC technology at the cell and stack level to enhance cell robustness and durability, increase performance, and reduce balance-of-plant (BOP) requirements. By reducing system complexity combined with the increases in power density and efficiency, the ultimate goal of the project was to increased reliability and to reduce capital and operating costs of installed systems. The project was focused on pathways that will reduce the cost of the SOFC cell and stack, including the following areas: Robust, redox tolerant cell technology Lower cost cell manufacturing through advances in cell design, which will reduce the amount of material, energy and time used in the fabrication of SOFCs High performance, low temperature electrolyte based on improvement of established materials Innovative SOFC stack architecture which truly integrates Balance of Plant functionality into the stack level design Thermal management of the fuel cell stack for increased durability and expanded window of operation Novel stack design amenable for use in sub-MW to multi-MW-scale power plants and having low replacement cost The incorporation of balance-of-plant (BOP) equipment into the stack platform increased the economic viability of smaller scale systems. The project objectives were met by a multi-prong approach, including new cell design complemented with modifications to existing cell technology, as well as a new stack design incorporating components typically included in the BOP, such as heat exchangers, oxidizer, fuel reformers, and recycle systems. The project culminated with demonstration of a stack test validating the viability of the cell and stack improvements. A cost model was also developed to estimate costs for the advanced stack technology at high volume manufacturing levels. The net outcome of the project is SOFC cell and stack technology with costs significantly below current DOE targets without compromising and, in some cases, improving on the performance and degradation rate demonstrated with the current state-of-the-art stack design. The results of this project advanced the reliability, robustness, and endurance of low-cost SOFC technology that ultimately are ready to be deployed in coal power systems with greater than 60 percent efficiency (based on higher heating value of fuel) and the capability for ≥97% CO 2 capture at a cost-of-electricity that is approximately 40 percent below presently available Integrated Gasification Combined Cycle systems.

03 NATURAL GAS↗
DOE OSTI2021

Hybrid Chemo-Mechanical Plastics Recycling: Solvent-free, High-speed Reactive Extrusion of Low-Density Polyethylene

Low-Density Polyethylene (LDPE) is ubiquitous in the packaging industry due to its flexibility, toughness, and low cost. However, it is typically contaminated with other materials, seriously limiting options for mechanical recycling. Interest in chemical recycling techniques such as pyrolysis and hydrothermal liquefaction is growing, but most of these processes face technoeconomic challenges that have limited commercial deployment. We present a hybrid chemo-mechanical approach using reactive twin-screw extrusion (TSE) for tailoring the molecular weight and chain structure of reclaimed LDPE. Two types of zeolite catalysts at several loading levels were evaluated over a range of processing conditions. Structural, thermal, and rheological properties of the extruded samples were investigated and compared to virgin LDPE and LDPE extruded without the catalyst. A nuclear magnetic resonance spectroscopic technique was used to investigate changes in the structure of the polymer. LDPE extruded with microporous y-zeolite showed lower degradation temperature and increased short chain branching. Mesoporous MCM-41 also induced increased branching but had no effect on degradation temperature. The theoretical mechanical energy input for the chemical modification was calculated using process modeling. The demonstrated hybrid reactive extrusion process provides a potential low-cost, simple approach for repurposing LDPE-based flexible packaging as coatings and adhesives.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Calculation of molecular excitation rates

State-to-state collisional excitation rates for interstellar molecules observed by radio astronomers continue to be required to interpret observed line intensities in terms of local temperatures and densities. A problem of particular interest is collisional excitation of water which is important for modeling the observed interstellar masers. In earlier work supported by a different NASA Grant, excitation of water in collisions with He atoms was studied; after many years of successively more refined calculations that problem now seems to be well understood, and discrepancies with earlier experimental data for related (pressure broadening) phenomena are believed to reflect experimental errors. Because of interstellar abundances, excitation by H2, the dominant interstellar species, is much more important than excitation by He, although it has been argued that rates for excitation by these are similar. Under the current grant theoretical study of this problem has begun which is greatly complicated by the additional degrees of freedom which must be included both in determining the interaction potential and also in the molecular scattering calculation. We have now computed the interaction forces for nearly a thousand molecular geometries and are close to having an acceptable global fit to these points which is necessary for the molecular dynamics calculations. Also, extensive modifications have been made to the molecular scattering code, MOLSCAT. These included coding the rotational basis sets and coupling matrix elements required for collisions of an asymmetric top with a linear rotor. A new method for numerical solution of the coupled equations has been incorporated. Because of the long-ranged nature of the water-hydrogen interaction it is necessary to integrate the equations to rather large intermolecular separations, and the integration methods previously available in MOLSCAT are not ideal for such cases. However, the method used by Alexander in his HIBRIDON code is particularly suited for such cases. We have obtained this code and incorporated that part which solves the coupled differential equations as an option in the MOLSCAT program.

Flynn, George↗
NASA NTRS1998

Hydrodynamic Instability in an Extended Landau/Levich Model of Liquid-Propellant Combustion at Normal and Reduced Gravity

The classical Landau/Levich models of liquid-propellant combustion, despite their relative simplicity, serve as seminal examples that correctly describe the onset of hydrodynamic instability in reactive systems. Recently, these two separate models have been combined and extended to account for a dynamic dependence, absent in the original formulations, of the local burning rate on the local pressure and temperature fields. The resulting model admits an extremely rich variety of both hydrodynamic and reactive/diffusive instabilities that can be analyzed either numerically or analytically in various limiting parameter regimes. In the present work, a formal asymptotic analysis, based on the realistic smallness of the gas-to-liquid density ratio, is developed to investigate the combined effects of gravity and other parameters on the hydrodynamic instability of the propagating liquid/gas interface. In particular, an analytical expression is derived for the neutral stability boundary A(sub p)(k), where A(sub p) is the pressure sensitivity of the burning rate and k is the wavenumber of the disturbance. The results demonstrate explicitly the stabilizing effect of gravity on long-wave disturbances, the stabilizing effect of viscosity (both liquid and gas) and surface tension on short-wave perturbations, and the instability associated with intermediate wavenumbers for critical negative values of A(sub p). In the limiting case of weak gravity, it is shown that hydrodynamic instability in liquid-propellant combustion is a long-wave instability phenomenon, whereas at normal gravity, this instability is first manifested through O(1) wavenumber disturbances. It is also demonstrated that, in general, surface tension and the viscosity of both the liquid and gas phases each produce comparable stabilizing effects in the large-wavenumber regime, thereby providing important modifications to previous analyses in which one or more of these effects were neglected.

Margolis, Stephen B.↗
DOE OSTI2023

Tailoring the Near-Surface Environment of Rh Single-Atom Catalysts for Selective CO 2 Hydrogenation

For this study, we used a combination of experimental spectroscopies, density functional theory calculations, and CO 2 hydrogenation studies to investigate the effects of modifying single-atom Rh 1 /TiO 2 catalysts with functionalized phosphonic acid monolayers. We found that the deposition of specific amine-functionalized ligands resulted in an ~8× increase in site-specific CO 2 reduction turnover frequency at 150 °C and a ~2× increase at 250 °C. On-stream stability also improved following ligand deposition. The effect of the modifier on reactivity was highly sensitive to the proximity of the amine functional group to the surface, which was controlled by adjusting the length of the phosphonic acid tail. Furthermore, deposition of alkyl phosphonic acids without an amine functional group resulted in blocked CO 2 adsorption and a near-complete loss of catalytic activity. Infrared spectroscopy studies suggested that the amine group provided binding sites for CO 2 that enabled hydrogenation when the amine was positioned near a Rh1 site. Phosphonic acid-modified catalysts also exhibited high selectivity to CO over the series product methane; the selectivity effect was traced to modification of the Rh1 sites to favor CO desorption. Phosphonic acid deposition resulted in 80–90% loss of accessible Rh1 sites, likely due to blocking by tail groups. However, even with the loss of sites, under low-temperature reaction conditions, the rates of CO 2 hydrogenation were improved with the coatings, indicating that the remaining sites are highly efficient. Organic functionalization of the supports for atomically dispersed catalysts offers the opportunity to precisely control the positioning of functional groups in the vicinity of a well-defined active site, potentially enabling an additional level of control over active site design.

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

Isotropic nanocrystalline Sm(Fe,Co) 11.3 Ti 0.7 magnets modified with B and Zr

Rare-earth-lean Sm(Fe,Co,Ti) 12 alloys with the ThMn 12 crystal structure and less than one Ti atom per formula unit have the potential of exceptionally powerful permanent magnets, but all prior attempts to develop high coercivity in bulk alloys, especially coercivity combined with crystallographic texture, have fallen short of the expectations. This study was aimed at improvement of the currently best Sm(Fe,Co,Ti) 12 magnets prepared through melt-spinning which are inherently isotropic. Modifications of the alloys with B and Zr, already demonstrated in earlier studies to be effective separately, have been implemented simultaneously. Here, a systematic study of Sm 1.1-x (Fe,Co) 11.3-y Ti 0.7 B y alloys melt-spun at a tangential speed of 50 m/s and annealed at 600–950 °C allowed for monitoring the continuous evolution of the two consecutive crystal structures, those of the TbCu 7 and ThMn 12 types. Zirconium was found to facilitate the formation of the 1:12 structure at the expense of the 1:7, whereas boron has the opposite effect, at certain concentrations completely suppressing the 1:12. When the two alloying elements are introduced simultaneously, they inhibit growth of the 1:12 crystallites at annealing temperatures higher than 800 °C, thus allowing for the development of a higher coercivity. Because of instrumental limitations, bulk magnets were prepared through a two-step process – compaction of the melt-spun ribbons at 650 °C and additional treatment at a higher temperature – and they were characterized by a reduced, 90–93%, density. Nevertheless, an isotropic Sm 0.9 Zr 0.2 (Fe,Co) 10.8 Ti 0.7 B 0.5 magnet exhibited fair values of the remanence (7.4 kG), maximum energy product (8.5 MGOe) and coercivity (5.4 kOe), as well as high Curie temperature of 525 °C and remarkably small temperature coefficient of the coercivity, -0.25%/°C.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Quarkonium semiclassical transport in quark-gluon plasma: factorization and quantum correction

We study quarkonium transport in the quark-gluon plasma by using the potential nonrelativistic QCD (pNRQCD) effective field theory and the framework of open quantum systems. We argue that the coupling between quarkonium and the thermal bath is weak using separation of scales, so the initial density matrix of the total system factorizes and the time evolution of the subsystem is Markovian. We derive the semiclassical Boltzmann equation for quarkonium by applying a Wigner transform to the Lindblad equation and carrying out a semiclassical expansion. We resum relevant interactions to all orders in the coupling constant at leading power of the nonrelativistic and multipole expansions. The derivation is valid for both weakly coupled and strongly coupled quark-gluon plasmas. We find reaction rates in the transport equation factorize into a quarkonium dipole transition function and a chromoelectric gluon distribution function. For the differential reaction rate, the definition of the momentum dependent chromoelectric gluon distribution function involves staple-shaped Wilson lines. For the inclusive reaction rate, the Wilson lines collapse into a straight line along the real time axis and the distribution becomes momentum independent. The relation between the two Wilson lines is analogous to the relation between the Wilson lines appearing in the gluon parton distribution function (PDF) and the gluon transverse momentum dependent parton distribution function (TMDPDF). The centrality dependence of the quarkonium nuclear modification factor measured by experiments probes the momentum independent distribution while the transverse momentum dependence and measurements of the azimuthal angular anisotropy may be able to probe the momentum dependent one. We discuss one way to indirectly constrain the quarkonium in-medium real potential by using the factorization formula and lattice calculations. The leading quantum correction to the semiclassical transport equation of quarkonium is also worked out. The study can be easily generalized to quarkonium transport in cold nuclear matter, which is relevant for quarkonium production in eA collisions in the future Electron-Ion Collider.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Inhibition of DNA methylation in P. soloecismus alters algae productivity

Eukaryotic organisms regulate the organization, structure, and accessibility of their genomes through chromatin remodeling that can be inherited as epigenetic modifications. These DNA and histone protein modifications are ultimately responsible for an organism’s molecular adaptation to the environment, resulting in distinctive phenotypes. Epigenetic manipulation of algae holds yet untapped potential for the optimization of biofuel production and bioproduct formation; however, epigenetic machinery and modes-of-action have not been well characterized in algae. We sought to determine the extent to which the biofuel platform species Picochlorum soloecismus utilizes DNA methylation to regulate its genome. We found candidate genes with domains for DNA methylation in the P. soloecismus genome. Whole-genome bisulfite sequencing revealed DNA methylation in all three cytosine contexts (CpG, CHH, and CHG). While global DNA methylation is low overall (~1.15%), it occurs in appreciable quantities (12.1%) in CpG dinucleotides in a bimodal distribution in all genomic contexts, though terminators contain the greatest number of CpG sites per kilobase. The P. soloecismus genome becomes hypomethylated during the growth cycle in response to nitrogen starvation. Algae cultures were treated daily across the growth cycle with 20 μM 5-aza-2'-deoxycytidine (5AZA) to inhibit propagation of DNA methylation in daughter cells. 5AZA treatment significantly increased optical density and forward and side scatter of cells across the growth cycle (16 days). This increase in cell size and complexity correlated with a significant increase (~66%) in lipid accumulation. Site specific CpG DNA methylation was significantly altered with 5AZA treatment over the time course, though nitrogen starvation itself induced significant hypomethylation in CpG contexts. Genes involved in several biological processes, including fatty acid synthesis, had altered methylation ratios in response to 5AZA; we hypothesize that these changes are potentially responsible for the phenotype of early induction of carbon storage as lipids. This is the first report to utilize epigenetic manipulation strategies to alter algal physiology and phenotype. Collectively, these data suggest these strategies can be utilized to fine-tune metabolic responses, alter growth, and enhance environmental adaption of microalgae for desired outcomes.

5-aza-2'-deoxycytidine↗
NASA NTRS2005

Bidirectional Classical Stochastic Processes with Measurements and Feedback

A measurement on a quantum system is said to cause the "collapse" of the quantum state vector or density matrix. An analogous collapse occurs with measurements on a classical stochastic process. This paper addresses the question of describing the response of a classical stochastic process when there is feedback from the output of a measurement to the input, and is intended to give a model for quantum-mechanical processes that occur along a space-like reaction coordinate. The classical system can be thought of in physical terms as two counterflowing probability streams, which stochastically exchange probability currents in a way that the net probability current, and hence the overall probability, suitably interpreted, is conserved. The proposed formalism extends the . mathematics of those stochastic processes describable with linear, single-step, unidirectional transition probabilities, known as Markov chains and stochastic matrices. It is shown that a certain rearrangement and combination of the input and output of two stochastic matrices of the same order yields another matrix of the same type. Each measurement causes the partial collapse of the probability current distribution in the midst of such a process, giving rise to calculable, but non-Markov, values for the ensuing modification of the system's output probability distribution. The paper concludes with an analysis of a classical probabilistic version of the so-called grandfather paradox.

Hahne, G. E.↗
NASA NTRS1998

Hydrodynamic Instability in an Extended Landau/Levich Model of Liquid-Propellant Combustion

The classical Landau/Levich models of liquid propellant combustion, which serve as seminal examples of hydrodynamic instability in reactive systems, have been combined and extended to account for a dynamic dependence, absent in the original formulations, of the local burning rate on the local pressure and/or temperature fields. The resulting model admits an extremely rich variety of both hydrodynamic and reactive/diffusive instabilities that can be analyzed in various limiting parameter regimes. In the present work, a formal asymptotic analysis, based on the realistic smallness of the gas-to-liquid density ratio, is developed to investigate the combined effects of gravity, surface tension and viscosity on the hydrodynamic instability of the propagating liquid/gas interface. In particular, a composite asymptotic expression, spanning three distinguished wavenumber regimes, is derived for both cellular and pulsating hydrodynamic neutral stability boundaries A(sub p)(k), where A(sub p) is the pressure sensitivity of the burning rate and k is the disturbance wavenumber. For the case of cellular (Landau) instability, the results demonstrate explicitly the stabilizing effect of gravity on long-wave disturbances, the stabilizing effect of viscosity and surface tension on short-wave perturbations, and the instability associated with intermediate wavenumbers for critical negative values of A(sub p). In the limiting case of weak gravity, it is shown that cellular hydrodynamic instability in this context is a long-wave instability phenomenon, whereas at normal gravity, this instability is first manifested through O(l) wavenumber disturbances. It is also demonstrated that, in the large wavenumber regime, surface tension and both liquid and gas viscosity all produce comparable stabilizing effects in the large-wavenumber regime, thereby providing significant modifications to previous analyses of Landau instability in which one or more of these effects were neglected. In contrast, the pulsating hydrodynamic stability boundary is found to be insensitive to gravitational and surface-tension effects, but is more sensitive to the effects of liquid viscosity, which is a significant stabilizing effect for O(l) and higher wavenumbers. Liquid-propellant combustion is predicted to be stable (i.e., steady and planar) only for a range of negative pressure sensitivities that lie between the two types of hydrodynamic stability boundaries.

Margolis, Stephen B.↗
NASA NTRS1990

Direct Numerical Simulations of Turbulent Convection: Variable Gravity and Uniform Rotation - Part 1

Turbulent convection may have played a major role in determining the structure and evolution of the primordial solar nebula, but current, incomplete models of convection and turbulence give very different results and remain largely untested in the absence of detailed astronomical observations. Numerical simulations provide an 'experimental' database for comparison with these models, and, to this end, direct numerical simulations of turbulent convection were performed with modifications intended to mimic some of the unique physical features of thin accretion disks, such as the primordial solar nebula: internal heating, a gravitational acceleration that is linearly proportional to the distance from midplane of the nebula, and rapid rotation. Peclet numbers in the simulations are comparable to those in solar nebula models; Rossby numbers in the simulations are an order of magnitude larger than those in solar nebula models because of the unrealistically high Prandtl and low, Reynolds numbers required to resolve all scales of the convective flow. We find that, despite the loss of buoyancy at midplane, turbulent motions easily penetrate the midplane region with little loss of intensity, providing efficient transport of heat and turbulent kinetic energy throughout the interior. A simple mixing length model modified to include rotation is found to give convective heat fluxes for the interior flow in rough agreement with the numerical simulations. We discuss these preliminary results with regard to assumptions about heating distributions and convective heat fluxes made in standard solar nebula models. More definitive comparisons with solar nebula modelling will become possible when more realistic effects of shear, density, stratification, and compression are included.

Cabot, W.↗
NASA NTRS1995

Some remarks on waves in the solar wind

Waves are significant to the solar wind in two ways as modifiers of the particle distribution functions, and as diagnostics. In addition, the solar wind serves as an important laboratory for the study of plasma wave processes, as it is possible to make detailed measurements of phenomena which are too small to be easily measured by laboratory sized sensors. There are two areas where waves (we include discontinuities under this heading) must make important modifications of the distribution functions: in accelerating the alpha particles to higher speeds than the protons (Marsch et al.) and in accelerating the solar wind itself. A third area is possibly in maintaining the relative isotropy of the solar wind ion distribution in the solar wind rest frame. As the solar wind is nearly collisionless, the ions should conserve magnetic moment in rushing out from the sun, and therefore Tperp/B should be relatively constant, but it is obviously not. This has not received much attention. The waves, both electromagnetic and electrostatic, which are pan of the solar Type 111 burst phenomenon, have been extensively studied as examples of nonlinear plasma phenomena, and also used as remote sensors to trace the solar magnetic field. The observations made by Ulysses show that the field can be traced in this way out to perhaps a little more than an A.U., but then the electromagnetic pan of the type 111 burst fades out. Nevertheless, sometimes Langmuir waves appear at Ulysses at an appropriate extrapolated time. This seems to support the picture in which the electromagnetic waves at the fundamental plasma frequency are trapped in density fluctuations. Langmuir waves in the solar wind are usually in quasi-thermal equilibrium quasi because the solar wind itself is not isothermal. The Observatory of Paris group (Steinberg. Meyer-Vernet, Hoang) has exploited this with an experiment on WIND which is capable of providing density and temperature on a faster time scale than hitherto. Recently it has been found that Langmuir waves are associated with magnetic holes. This may help to elucidate the nature of magnetic holes. Nonlinear processes are important in the transformation of wave energy to panicle energy. Some recent examples from WIND data will be shown.

Kellogg, Paul J.↗
DOE OSTI2021

Organic Modifiers Promote Furfuryl Alcohol Ring Hydrogenation via Surface Hydrogen-Bonding Interactions

Interactions between surface adsorbed species can affect catalyst reactivity, and thus, the ability to tune these interactions is of considerable importance. Deposition of organic modifiers provides one method of intentionally introducing controllable surface interactions onto catalyst surfaces. In this study, Pd/Al2O 3 catalysts were modified with either thiol or phosphonic acid (PA) ligands and tested in the hydrogenation of furanic species. The thiol modifiers were found to inhibit ring hydrogenation (RH) activity, with the degree of inhibition trending with the thiol surface coverage. This suggests that thiols do not strongly interact with the reactants and simply serve to block active sites on the Pd surface. PAs, on the other hand, were found to enhance RH when furfuryl alcohol (FA) was used as the reactant. Density functional theory calculations suggested that this enhancement was due to hydrogen-bonding interactions between FA-derived surface intermediates and PA modifiers. Here, installation of hydrogen-bonding groups on the Pd surface served to preferentially stabilize RH product states. Furthermore, the promotional effect on the RH of FA was observed to be greater when a higher-coverage PA was used, providing a rate more than twice that of the unmodified Pd/Al2O 3 . The results of this work suggest that organic ligands can be designed to impart tunable surface interactions on heterogeneous catalysts, providing an additional method of controlling catalytic performance.

09 BIOMASS FUELS↗
DOE OSTI2020

Anion Reactivity in Cation‐Disordered Rocksalt Cathode Materials: The Influence of Fluorine Substitution

Abstract The demand for high energy‐density, mass‐producible cathode materials has spurred the exploration of new material structures and compositions. Lithium‐excess, cation‐disordered rocksalt (DRX) materials are a new class of transition metal oxides that display high capacity and environmental friendly composition. These materials achieve their high capacities partially through oxygen redox, which leads to oxygen loss and detrimental reactivity with the electrolyte. It has previously been shown that oxygen loss can be suppressed by partial substitution of the lattice oxygen for fluorine, but the explicit mechanism behind this effect remains unknown. In this work, differential electrochemical mass spectrometry (DEMS) and titration mass spectrometry are used to quantify the primary electrochemical reactions occurring during the first cycle in DRX materials. Comparing a DRX oxide and a DRX oxyfluoride, it is shown that fluorination limits oxygen redox and suppresses oxygen loss. Additionally, DEMS is coupled with fluoride‐scavenging to demonstrate that small amounts of fluorine dissolve from DRX oxyfluorides during the first cycle. Finally, these techniques are extended over the first several cycles, demonstrating that CO 2 evolution persists and fluoride dissolution continues to a diminishing extent during the first few cycles. These findings motivate surface modifications to control interfacial reactivity and improve long‐term cycling.

Crafton, Matthew J.↗
DOE OSTI2020

Green synthesis of reduced Ti 3 C 2 T x MXene nanosheets with enhanced conductivity, oxidation stability, and SERS activity

Transition metal carbides (MXenes) are an emerging family of highly conductive two-dimensional materials with additional functional properties introduced by surface terminations. Further modification of the surface terminations makes MXenes even more appealing for practical applications. Herein, we report a facile and environmentally benign synthesis of reduced Ti 3 C 2 T x MXene (r-Ti 3 C 2 T x ) via a simple treatment with L-ascorbic acid at room temperature. r-Ti 3 C 2 T x shows a six-fold increase in electrical conductivity, from 471 ± 49 for regular Ti 3 C 2 T x to 2819 ± 306 S m -1 for the reduced version. Additionally, we show an enhanced oxidation stability of r-Ti 3 C 2 T x as compared to regular Ti 3 C 2 T x . An examination of the surface-enhanced Raman scattering (SERS) activity reveals that the SERS enhancement factor of r-Ti 3 C 2 T x is an order of magnitude higher than that of regular Ti 3 C 2 T x . The improved SERS activity of r-Ti 3 C 2 T x is attributed to the charge transfer interaction between the MXene surface and probe molecules, re-enforced by an increased electronic density of states (DOS) at the Fermi level of r-Ti 3 C 2 T x . The findings of this study suggest that reduced MXene could be a superior choice over regular MXene, especially for the applications that employ high electronic conductivity, such as electrode materials for batteries and supercapacitors, photodetectors, and SERS-based sensors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2006

Turbulent Size Selection and Concentration of Chondrule-Sized Objects: Reynolds Number Invariance and Implications

It is generally agreed that individual chondrules formed as entities in a gaseous nebula prior to being accumulated into a meteorite parent body, within which they incur various forms of modification before arriving in our labs. While there are major unanswered questions about the properties of the nebula environment in which chondrules formed, the process by which the most primitive meteorites are formed overwhelmingly from chondrules must then be an aspect of "nebula processing". Textures in certain fragments of primitive meteorites might be summarized as being primarily chondrules and clastic, chondrule-sized, fragments of other minerals, each covered with a rim of fine dust with physical and chemical properties which are essentially independent of the composition and mineralogy of the underlying chondrule. This (unfortunately rather rare) texture was called "primary accretionary texture" to reflect their belief that it precedes subsequent stages in which fragmentation, comminution, mixing, heating, and other forms of alteration occur on the parent body(-ies). The size distribution of these chondrules and fragments, and the properties of their dusty rims, are key clues regarding the primary nebula accretion process. Even in the much more abundant meteorites which have clearly suffered internal mixing, abrasion, grinding, and even mineralogical alteration or replacement (due presumably to the collisional growth and heating process itself), key chondrule properties such as mean size and density remain relatively well defined, and well defined rims persist in many cases. It has been our goal to infer the key nebula processes indirectly from the properties of these very earliest primitive meteorites by making use of a theoretical framework in which the nebula possesses a plausible level of isotropic turbulence. We have shown that turbulence has the property of concentrating one particular particle size by orders of magnitude, where the preferentially concentrated size depends primarily on the intensity of the turbulent kinetic energy (represented by the Reynolds number of the nebula). Specifically, the preferentially concentrated particle is that which has a stopping time equal to the turnover time of the smallest eddy. The intensity level of turbulence implied by chondrule sizes can be maintained by even a small fraction of the energy released by the radially evolving disk (it must be noted that the details of how this transfer of energy actually occurs remain obscure, however).

Cuzzi, J. N.↗
DOE OSTI2021

Modifying PyUltraLight to model scalar dark matter with self-interactions

Here we introduce a modification of the pysiultralight code that models the dynamical evolution of ultralight axionlike scalar dark matter fields. Our modified code, pysiultralight, adds a quartic, self-interaction term to reflect the one which arises naturally in axionlike particle models. Using a particle mass of 10−22 eV/c 2 , we show that pysiultralight produces spatially oscillating solitons, exploding solitons, and collapsing solitons which prior analytic work shows will occur with attractive self-interactions. Using our code we calculate the oscillation frequency as a function of soliton mass and equilibrium radius in the presence of attractive self-interactions. We show that when the soliton mass is below the critical mass ($M_c$ = $\frac{\sqrt{3}}{2} M_{max}$) described by Chavanis and the initial radius is within a specific range, solitons are unstable and explode. We test the maximum mass criteria described by Chavanis and Chavanis and Delfini for a soliton to collapse when attractive self-interactions are included. We also analyze both binary soliton collisions and a soliton rotating around a central mass with attractive and repulsive self-interactions. We find that when attractive self-interactions are included, the density profiles get distorted after a binary collision. We also find that a soliton is less susceptible to tidal stripping when attractive self-interactions are included. We find that the opposite is true for repulsive self-interactions in that solitons would be more easily tidally stripped. Including self-interactions might therefore influence the survival timescales of infalling solitons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗