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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

On the Mechanism of Bilayer Separation by Extrusion, or Why Your LUVs Are Not Really Unilamellar

Extrusion through porous filters is a widely used method for preparing biomimetic model membranes. Of primary importance in this approach is the efficient production of single bilayer (unilamellar) vesicles that eliminate the influence of interlamellar interactions and strictly define the bilayer surface area available to external reagents such as proteins. Sub-microscopic vesicles produced using extrusion are widely assumed to be unilamellar, and large deviations from this assumption would dramatically impact interpretations from many model membrane experiments. In this work, using three probe-free methods—small-angle X-ray and neutron scattering (SAXS and SANS) and cryogenic electron microscopy (cryoEM)—we report unambiguous evidence of extensive multilamellarity in extruded vesicles composed of neutral phosphatidylcholine lipids, including for the common case of neutral lipids dispersed in physiological buffer and extruded through 100 nm diameter pores. In such preparations, only ~35% of lipids are externally accessible, and this fraction is highly dependent on preparation conditions. Charged lipids promote unilamellarity, as does decreasing solvent ionic strength, indicating the importance of electrostatic interactions in determining the lamellarity of extruded vesicles. Smaller extrusion pore sizes also robustly increase the fraction of unilamellar vesicles, suggesting a role for membrane bending. Taken together, these observations suggest a mechanistic model for extrusion, wherein formation of unilamellar vesicles involves competition between bilayer bending and adhesion energies. The findings presented here have wide-ranging implications for the design and interpretation of model membrane studies, especially ensemble-averaged observations relying on the assumption of unilamellarity.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Experimental investigation of a closed vapour box module for a divertor-like configuration in Magnum-PSI

Efficient management of extreme heat fluxes in the divertor region to extend the lifetime of the components remains a critical challenge for the realization of nuclear fusion-based power plants. Among the alternative concepts explored for the divertor region, the use of liquid metals, particularly lithium, is of interest due its ability to dissipate the incoming plasma heat flux through the vapour shielding effect (VS). In this work, we experimentally investigated a ‘closed’ configuration of a dedicated Vapour Box Module (VBM) in the linear plasma device Magnum-PSI. The goal of the experiments is to simulate the vapour box divertor environment conditions and assess its performance in terms of power mitigation and redistribution and lithium confinement. Initial testing without Li demonstrated the efficacy of a closed VBM structure in inducing detachment via neutral gas accumulation. Apertures which enabled non-condensing gas to be effectively pumped while ensuring lithium condensed on the inner surfaces were therefore added. With a lithium capillary porous structure target used, lithium is directly vaporized by the plasma, forming a dense lithium vapour cloud that interacts with the incoming plasma. This resulted in a significant reduction of the target temperature of at least 48%, together with a temperature locking effect, a phenomenon typically observed in the VS regime. Lithium vapour confinement within the VBM was strongly correlated with the wall temperature. Relatively cold walls promoted Li re-condensation and therefore improved Li confinement, although with the expected trade-off of increased hydrogenic retention on lithium-wetted surfaces. As the wall temperature increased, the confinement efficiency decreased, consistent with reduced Li re-condensation and thermally activated Li–H chemistry and remobilization at the walls. Diagnostic measurements through embedded thermocouples and calorimetry revealed that lithium vaporization and re-condensation processes also playedsignificant roles in plasma power dissipation. The results advance the case for a closed divertor chamber with direct lithium evaporation from the strike-points as a viable method to manage divertor heat fluxes in future fusion reactors.

Romano, Fabio [Dutch Institute for Fundamental Ene↗
DOE OSTI2026

Stellarator Theory and Non-Axisymmetric Shaping (Final Technical Report)

Divertors are a critical concept for all magnetically confined fusion systems. The W7-X stellarator has an island divertor as do many of the privately funded stellarator reactor designs, but non-resonant divertors have many advantages, which are defined in the paper OSTI ID: 3021689, “Stellarators with enhanced tritium confinement and edge radiation control” and discussed in OSTI ID: 3021687, 3021688, 3021692, and 3021695. The three basic advantages are: (1) Resilience, the location at which the diverted plasma reaches the walls is insensitive to plasma conditions, unlike island divertors. (2) The width of the region at the plasma edge that flows into the divertor has a controllable width. It can be made sufficiently broad to avoid neutrals impending on the plasma from charge exchanging with high energy plasma particles. The resulting high energy neutrals erode the walls. (3) The controllable width and confinement of non-resonant divertors allow high-Z impurities to be added. The shortness of their confinement time limits their diffusion into the plasma interior. High-Z impurity radiation at the plasma edge seems the only way to sufficiently spread the outcoming power over the walls. The lack of experiments is a major impediment to application of non-resonant divertors, although the small experiment STAR_LITE is being built at Hampton University to study them.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Identifying Regimes During Plasma Catalytic Ammonia Synthesis

Herein, we demonstrate that the performance of mesoporous silica SBA-15 and SBA-15-Ag during plasma ammonia synthesis depends on the plasma conditions. At high power, the mesoporous silica SBA-15 without Ag produces the largest amount of ammonia, but the addition of Ag provides a minor benefit at lower powers. Plasma conditions were analyzed through optical emission spectroscopy using N 2 , N 2 + , and NH molecular bands and H α line. Stark broadening of H α line was used to find electron density, and N 2 molecular bands were used to assess N 2 vibrational excitation, important for plasma nitrogen decomposition. At similar input conditions, reactors with SBA-15 have higher electron density and higher N 2 vibrational temperature. Consistent with higher electron density, SBA-15 reactors have stronger N 2 + emission intensity relative to the neutral N 2 . The addition of Ag results in higher N 2 rotational temperature, possibly due to localized heating. From the materials point of view, SBA-15 is a more robust catalyst with good surface area retention after plasma exposure due to the lack of local heating generated when a metal is in the structure. Furthermore, we identify two possible regimes during ammonia synthesis, a metal and a surface-plasma driven. At lower plasma densities, the addition of metal is beneficial, while at higher power and plasma density, the best performance is achieved without the aid of a metal catalyst.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Super-resolution stimulated X-ray Raman spectroscopy

Propagation of intense X-ray pulses through dense media has led to the observation of phenomena such as atomic X-ray lasing, self-induced transparency and stimulated X-ray Raman scattering (SXRS)4. SXRS has been long predicted as a means to launch and probe valence-electron wavepackets and as a building block for nonlinear X-ray spectroscopies. However, experimental observations of SXRS to date have not provided spectroscopic information, and theoretical modelling has largely implemented hard-to-realize phase-coherent attosecond pulses. Here we demonstrate SXRS with spectroscopic precision, that is, detection of valence-excited states in neon with a near Fourier-limited joint energy–time resolution of 0.1 eV–40 fs. We used a new covariance analysis between statistically spiky broadband incident X-ray and scattered X-ray Raman pulses. Using 18,000 single shots, we beat not only the incident (about 8 eV) bandwidth but also the approximately 0.2 eV instrumental energy resolution, thus creating super-resolution conditions, in analogy to super-resolved fluorescence microscopy. Our experimental results, supported by ab initio propagation simulations, reveal the competition between lasing in the ion and stimulated Raman scattering in the neutral. We demonstrate enhanced signal collection efficiency and a broad excitation window, surpassing spontaneous Raman efficiencies by orders of magnitude. This stochastic SXRS approach represents a first step towards tracking elementary events that determine chemical outcomes.

nonlinear x-ray spectroscopy↗
DOE OSTI2023

Precision redshift-space galaxy power spectra using Zel'dovich control variates

Numerical simulations in cosmology require trade-offs between volume, resolution and run-time that limit the volume of the Universe that can be simulated, leading to sample variance in predictions of ensemble-average quantities such as the power spectrum or correlation function(s). Sample variance is particularly acute at large scales, which is also where analytic techniques can be highly reliable. This provides an opportunity to combine analytic and numerical techniques in a principled way to improve the dynamic range and reliability of predictions for clustering statistics. In this paper we extend the technique of Zel'dovich control variates, previously demonstrated for 2-point functions in real space, to reduce the sample variance in measurements of 2-point statistics of biased tracers in redshift space. We demonstrate that with this technique, we can reduce the sample variance of these statistics down to their shot-noise limit out to k ~ 0.2 h Mpc -1 . This allows a better matching with perturbative models and improved predictions for the clustering of e.g. quasars, galaxies and neutral Hydrogen measured in spectroscopic redshift surveys at very modest computational expense. We discuss the implementation of ZCV, give some examples and provide forecasts for the efficacy of the method under various conditions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Literature Review Investigating Historical Plutonium Solubility in SRS Tank Waste

The Savannah River Site (SRS) has designed the Accelerated Basin De-inventory (ABD) program to accelerate the de-inventory of L-Basin and accelerate the Spent Nuclear Fuel (SNF) disposition mission. Similarly, the H-Canyon facility at SRS is reestablishing the 6.3D electrolytic dissolver for dissolving unirradiated stainless-steel (SS) clad Fast Critical Assembly (FCA) fuel. In both discard types (ABD and FCA), plutonium is present and its complex solubility when composited to Concentration, Storage, and Transfer Facility (CSTF) sludge is being investigated as it may have downstream impacts to the liquid waste (LW) organization. This literature review aims to highlight and compile the existing literature on plutonium solubility in waste streams relevant to ABD and FCA discards, as well as discuss some considerations in analyzing solubility data of plutonium. This review serves to help define the analysis methods for future experiments involving plutonium (and other actinides) and in designing appropriate testing conditions surrounding these studies. This review is broken up into five parts and will discuss: (i) The possible effects of testing hold time and temperature on plutonium solubility, (ii) the influence of neutralization rate and particle size of freshly precipitated discards, (iii) the coprecipitation of plutonium with iron and uranium, (iv) predictive solubility modeling and the influence of supernate anions on solubility, and (v) the speciation of plutonium in solutionas a result of supernate anions.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Q2 Report for FY25 Theory and Simulation Performance Target: Development of an integrated modeling framework for fusion reactor design and assessment

This report describes the work and activities carried out towards the completion of each of the following milestones in FY25 Q2: 1. Demonstrate workflow for generating self-consistent CESOL plasma profiles + first wall and divertor loading prediction and generate the CAT plasma and neutron loading needed for further engineering analysis: $\circ$ Run CESOL with BOUT++/Hermes-3 and immersed boundary condition to directly map to wall: • Run BOUT++/Hermes-3 through the IPS workflow to find radial particle and energy diffusivities to match either the Eich or the physics-based scaling of the SOL heat flux width, and • Expand source of first wall heat flux to include charged particles, neutrals, and radiation from the core+edge. 2. Generate medium fidelity parametrized CAD: $\circ$ Develop the TRACER tool to read an existing CAD, regenerate the geometry based on vertex location and connectivity information, define vertex translation and parameters needed for scaling the CAD, and $\circ$ Utilize the FreeGS code to determine CAT PF coil placement, including minimizing the number of coils, coil current, and electromechanical stresses. 3. Utilize plasma loading for engineering analysis: $\circ$ Couple the plasma loading to input for OpenFOAM and demonstrate initial test of thermal analysis of CAT first wall loading with typical DCLL blanket component cooling boundary conditions. 4. Demonstrate nuclear analysis: $\circ$ Apply initial analysis of tritium transport in DCLL blanket by evaluating spatially resolved tritium generation rates, tritium diffusion and convection.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Geodesic modes driven by untrapped resonances of NB energetic ions in tokamaks

Geodesic modes are typically excited by a minor concentration of energetic ions, but unstable mode frequencies are substantially different from Geodesic Acoustic Modes (GAMs) and are named EGAM (Energetic particle GAM). The EGAM instability driven by Neutral Beam Injection (NBI) has been observed in DIII-D tokamak experiments. The problem of the geodesic mode instability is analytically studied using a full drift kinetic equation. To analyze the instability condition, an ionization NBI location is assumed to be on the high field side of tokamaks. Here, a minority NBI ion distribution is modeled by an energetic ion tail in the untrapped-passing region that remains between a magnetic axis and the trapped NBI boundary. The EGAM instability condition is defined by the parallel NBI ion velocity v | | ≈ ( 1.2 – 1.5 ) ω R 0 q 0 that has to be above the effective EGAM phase velocity. In this case, the EGAM frequency is ≈ 50 % below the standard stable GAM frequency, which is reduced by a small concentration of energetic NBI ions. Qualitative comparison of the developed geodesic mode theory with NBI heating experiments in the midregion of the tokamak plasma is discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Risk-Averse Control of Fractional Diffusion with Uncertain Exponent

In this paper, we introduce and analyze a new class of optimal control problems constrained by elliptic equations with uncertain fractional exponents. We utilize risk measures to formulate the resulting optimization problem. We develop a functional analytic framework, study the existence of solution and rigorously derive the first-order optimality conditions. Additionally, we employ a sample-based approximation for the uncertain exponent and the finite element method to discretize in space. Further, we prove the rate of convergence for the optimal risk neutral controls when using quadrature approximation for the uncertain exponent and conclude with illustrative examples.

finite element method↗
DOE OSTI2020

Assessing Stability of Transition Metal Nitrides in Aqueous Environments: The Case of Molybdenum, Iron, Vanadium and Nickel Nitride

Analysis of the MoN, Mo 2 N, VN, Fe 2 N, Fe 4 N, Ni 3 N stability in the aqueous media was performed based on the thermodynamic data available in HSC Chemistry software. Our analysis show that among all the studied nitrides, cubic Mo 2 N is the most resistant while cubic VN is the least resistant to oxidation and decomposition. The change in temperature up to 100 °C does not significantly influence the formation potentials of transition metal oxides from nitrides; however, pH significantly affects the stability of the studied transition metal nitrides. In the case of Mo 2 N, MoN, and VN changing pH from acidic to neutral and alkaline decreases the stability of the nitrides and the oxide formation potentials shift to more negative values. Additionally, based on thermodynamics, orthorhombic Fe 2 N should be stable only in alkaline conditions, while cubic Fe 4 N and hexagonal Ni 3 N should be the most stable at pH ~ 7 and pH ~ 9. Changing pH from these values decreases the stability of both Fe 4 N and Ni 3 N and the formation of oxy-, hydroxy- species becomes thermodynamically more favorable. Overall, the limited stability of the metal nitrides places severe constraints for their use in aqueous electrocatalytic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Laser-Induced Photoreduction of Iron(III) Oxide Nanoparticles Enhanced by the Presence of Organic Chromophores

Light-induced electron transfer between chromophoric organic matter and Fe(III)-oxides lies at the heart of aqueous Fe(II) fluxes in the photic zone of natural systems. Understanding this photoreductive dissolution process is also essential for developing water purification techniques based on this class of materials. Previously, optical transient absorption spectroscopy (TAS) measurements revealed that sub-picosecond relaxation times of photo-excited rhodamine B (RhB) dye increased when sorbed onto hematite nanoparticles (HNPs), consistent with electron transfer to the oxide. Here, in the present study, we exploit time-resolved X-ray absorption spectroscopy (XAS) at the Fe K-edge to follow the Fe oxidation state for this same process to (i) confirm that RhB photoexcitation leads to interfacial electron transfer and Fe reduction; and (ii) quantify the lifetime of injected electrons as a function of solution conditions. Regardless of RhB dye availability and pH, direct band gap photoexcitation of HNPs yields an Fe(II)-like small polaronic absorption signature with a lifetime of ~ 1 ns, an order of magnitude longer than previously reported. However, when RhB is present at low pH under conditions where dye favorably interacts with the positively charged hematite surface, a second relaxation process approaching microsecond timescales is observed that likely represents back-reaction with the photoexcited adsorbed dye. At pH above neutral, the efficiency of the interfacial electron transfer is diminished by weaker interaction between sorbed dye and particle surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Factors Affecting the Electron Conductivity in Single Crystal Li 7 La 3 Zr 2 O 12 and Li 7 P 3 S 11

One of the serious challenges in all solid-state Li ion batteries is neutral Li intrusion into the solid-state electrolyte that can ultimately cause catastrophic failure. One possibility for this is due to n-type electron conductivity that induces the reaction Li + + e – → Li 0 at sites where the potential is less than the Li + /Li potential. This paper reports hybrid density functional theory calculations of the electronic conductivity in two prototype single crystalline solid-state electrolytes, cubic Li 7 La 3 Zr 2 O 12 (c-LLZO) and Li 7 P 3 S 11 (LPS). The formation energies of important point defects that can affect electron conductivity are determined, and we find that the mechanism of n-type electron conductivity for both solid-state electrolytes is via “small” electron polaron hopping, where the quotes signify that substantial Li ion rearrangement is associated with the polaron formation and its migration. In both electrolytes, the formation energies for the small polarons at the Fermi energy are too high to generate measurable electron conductivity at room temperature. For c-LLZO, the concentration of electron polarons necessary to ensure charge neutrality from positively charged oxygen vacancies formed in synthesis can be significantly higher. Hence, the electron conductivity could be significant when measured with ion-blocking metal electrodes, and we discuss how the synthesis conditions could affect this magnitude. However, in the solid-state battery, these polarons are replaced by negatively charged Li vacancies so that the electron conductivity should remain minimal. For LPS single crystals, the inherent minimal electron conductivity is independent of synthesis conditions. Here we also show that the cost of forming Li 0 in bulk c-LLZO is enormous due to strain effects so that it could only potentially form at voids, grain boundaries, or around vacancy defects which relax the lattice strain.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Use of differential plasma rotation to prevent disruptive tearing mode onset from 3-wave coupling

Abstract Plasma differential rotation is found to be capable of preventing disruptive neoclassical tearing modes (NTMs) seeded by nonlinear three-wave coupling. As tearing modes degrade confinement and can lead to disruptions, stabilization strategies are crucial to the successful operation of future devices. In ITER-relevant scenarios on DIII-D, rotationally coupled m / n = 1/1 and 3/2 modes have been observed to drive 2/1 islands through three-wave coupling. The frequency of the driven 2/1 mode is set by matching conditions and the frequencies of the driving modes. When the driven mode frequency matches the local plasma rotation frequency, e.g. at low differential rotation, the driven 2/1 island can grow into a disruptive NTM. Using neutral beam torque as an actuator to scan the differential rotation, these experiments demonstrate that a sufficiently large frequency mismatch prevents destabilization of disruptive 2/1 NTMs by three-wave coupling. This work indicates that differential rotation can be used as an actuator to prevent NTMs seeded by three-wave coupling.

Richner, N. J. (ORCID:0000000155443915)↗
DOE OSTI2022

A Method to Identify the Heat Flux From Photons and Neutrals at the Divertor Target

The Surface Eroding Thermocouple (SETC) is a diagnostic designed for fast surface heat flux measurement and has been successfully applied in DIII-D to investigate divertor detachment. A novel method has been developed of using a combination of surface-facing and recessed SETCs to distinguish between the heat flux from charged particles, and that from neutrals and radiative heating. Furthermore, this technique suggests that at least 20% of the total incident heat flux is attributable to the latter sources not trapped in the magnetic field in a fully detached open divertor condition. It not only indicates the non-charged particle heating significantly contributes to the total surface heat flux in detached divertor conditions, but also demonstrates the feasibility of using two operational modes of SETCs to distinguish between the two surface heating mechanisms.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Achievement of Reactor-Relevant Performance in Negative Triangularity Shape in the DIII-D Tokamak

Plasma discharges with a negative triangularity (δ=−0.4) shape have been created in the DIII-D tokamak with a significant normalized beta (βN=2.7) and confinement characteristic of the high confinement mode (H98y2=1.2) despite the absence of an edge pressure pedestal and no edge localized modes (ELMs). These inner-wall-limited plasmas have a similar global performance as a positive triangularity (δ=+0.4) ELMing H-mode discharge with the same plasma current, elongation and cross sectional area. For cases both of dominant electron cyclotron heating with Te/Ti>1 and dominant neutral beam injection heating with Te/Ti=1, turbulent fluctuations over radii 0.5<ρ<0.9 were reduced by 10–50% in the negative triangularity shape compared to the matching positive triangularity shape, depending on the radius and conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Metal oxide-organic hybrid materials for heterogeneous catalysis and methods of making and using thereof

Catalysts prepared from abundant, cost effective metals, such as cobalt, nickel, chromium, manganese, iron, and copper, and containing one or more neutrally charged ligands (e.g., monodentate, bidentate, and/or polydentate ligands) and methods of making and using thereof are described herein. Exemplary ligands include, but are not limited to, phosphine ligands, nitrogen-based ligands, sulfur-based ligands, and/or arsenic-based ligands. In some embodiments, the catalyst is a cobalt-based catalyst or a nickel-based catalyst. The catalysts described herein are stable and active at neutral pH and in a wide range of buffers that are both weak and strong proton acceptors. While its activity is slightly lower than state of the art cobalt-based water oxidation catalysts under some conditions, it is capable of sustaining electrolysis at high applied potentials without a significant degradation in catalytic current. This enhanced robustness gives it an advantage in industrial and large-scale water electrolysis schemes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗