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At least 1,477 records · Page 82
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NASA NTRSDate not supplied

Surface Instability of Liquid Propellants in Microgravity During Pulsed Settling Operations

Pulsing reaction control system (RCS) thrusters, vent valves, or other propulsion devices can preserve propellant resources in space, but this operation also effectively introduces a vibration to the vehicle. When the vibration is perpendicular to the liquid propellant surface, Faraday waves may be generated at the liquid-vapor interface. These Faraday instabilities can perturb or break up the liquid surface of cryogenic tanks, leading to inefficiencies in thermal management or even ullage collapse. Drawing from theory and experiments, an engineering model defining the allowable design regions for pulsed settling in microgravity was assembled and verified with computational fluid dynamics (CFD) simulations. A traditional settling metric, the Bond number, was also overlaid in the model to indicate which duty cycles were insufficient to overcome surface tension and aggregate propellant. Mission planners and engineers can consult the tool to rapidly evaluate the stability of a liquid-vapor interface given the pulse frequency and the excitation acceleration. Expressions developed for Faraday waves induced by a sinusoidal forcing input at standard gravity were found to provide excellent predictive capabilities for pulsed, or rectangular, waveforms in the absence of a consistent gravitational acceleration. This study extends the usage of these equations to an alternative forcing function and microgravity environments for the purpose of estimating natural frequencies, surface mode shapes, surface wave amplitudes, and the onset of droplet ejection. CFD simulations with the Loci/STREAM-VoF (Volume of Fluid) solver were initially validated against experimental results in standard gravity. Discrete points on the design map were then investigated with CFD and confirmed that the engineering model reliably indicates surface stability and most Faraday wave characteristics without requiring higher-fidelity tools. The engineering model is highly extensible and can be adapted for various propellant fill fractions, fluid properties, and tank sizes.

Faraday Waves↗
NASA NTRS2000

Southern Ocean Response to NADW Changes

The possibility of North Atlantic Deep Water (NADW) changes in both past and future climates has raised the issue of how the Southern Ocean would respond. Recent experiments with the GISS coupled atmosphere-ocean model have shown that a "bipolar see-saw" between NADW production and Antarctic Bottom Water (AABW) production in the Weddell Sea can occur in conjunction with freshening of the North Atlantic. However, this effect operates not through a slow ocean response but via a rapid atmospheric mechanism. As NADW reduces, colder temperatures in the North Atlantic, and Northern Hemisphere in general, are associated with higher surface pressure (increased atmospheric mass). Reduced mass in the Southern Hemisphere occurs in response, with lower pressure over the South Pole (an EOF #1 effect, the "high phase" of the Antarctic Oscillation).The lower pressure is associated with stronger west winds that generate an intensified Antarctic Circumpolar Current (ACC), which leads to longitudinal heat divergence in the South Atlantic (and heat convergence in the Southern Indian Ocean). Colder temperatures in the Weddell Sea region lead to sea ice growth, increased salinity and surface water density, and greater Weddell Sea Bottom Water production. Increased poleward transport of heat occurs in the South Atlantic in conjunction with increased bottom water production, but its convergence at high latitudes is not sufficient to offset the longitudinal heat divergence due to the intensified ACC. The colder temperatures at high latitudes in the South Atlantic increase the latitudinal temperature gradient, baroclinic instability, eddy energy and eddy poleward transport of momentum, helping to maintain the lower pressure over the pole in an interactive manner. The heat flux convergence in the Indian Ocean provides a warming tendency in that region, and overall global production of AABW remains unchanged. These results have implications for the interpretation of the ice core records of the last deglaciation, but may also be relevant for changes during the Holocene and perhaps even in response to increased CO2 forcing,

Rind, David↗
NASA NTRSDate not supplied

Surface Instability of Liquid Propellants in Microgravity During Pulsed Settling Operations

Pulsing reaction control system (RCS) thrusters, vent valves, or other propulsion devices can preserve propellant resources in space, but this operation also effectively introduces a vibration to the vehicle. When the vibration is perpendicular to the liquid propellant surface, Faraday waves may be generated at the liquid-vapor interface. These Faraday instabilities can perturb or break up the liquid surface of cryogenic tanks, leading to inefficiencies in thermal management or even ullage collapse. Drawing from theory and experiments, an engineering model defining the allowable design regions for pulsed settling in microgravity was assembled and verified with computational fluid dynamics (CFD) simulations. A traditional settling metric, the Bond number, was also overlaid in the model to indicate which duty cycles were insufficient to overcome surface tension and aggregate propellant. Mission planners and engineers can consult the tool to rapidly evaluate the stability of a liquid-vapor interface given the pulse frequency and the excitation acceleration. Expressions developed for Faraday waves induced by a sinusoidal forcing input at standard gravity were found to provide excellent predictive capabilities for pulsed, or rectangular, waveforms in the absence of a consistent gravitational acceleration. This study extends the usage of these equations to an alternative forcing function and microgravity environments for the purpose of estimating natural frequencies, surface mode shapes, surface wave amplitudes, and the onset of droplet ejection. CFD simulations with the Loci/STREAM-VoF (Volume of Fluid) solver were initially validated against experimental results in standard gravity. Discrete points on the design map were then investigated with CFD and confirmed that the engineering model reliably indicates surface stability and most Faraday wave characteristics without requiring higher-fidelity tools. The engineering model is highly extensible and can be adapted for various propellant fill fractions, fluid properties, and tank sizes.

Faraday Waves↗
DOE OSTI2024

Dynamic Promotion of the Oxygen Evolution Reaction via Programmable Metal Oxides

Hydrogen gas is a promising renewable energy storage medium when produced via water electrolysis, but this process is limited by the sluggish kinetics of the anodic oxygen evolution reaction (OER). Herein, we used a microkinetic model to investigate promoting the OER using programmable oxide catalysts (i.e., forced catalyst dynamics). We found that programmable catalysts could increase current density at a fixed overpotential (100–600× over static rates) or reduce the overpotential required to reach a fixed current density of 10 mA cm –2 (45–140% reduction vs static). In our kinetic parametrization, the key parameters controlling the quality of the catalytic ratchet were the O*-to-OOH* and O*-to-OH* activation barriers. Furthermore, our findings indicate that programmable catalysts may be a viable strategy for accelerating the OER or enabling lower-overpotential operation, but a more accurate kinetic parametrization is required for precise predictions of performance, ratchet quality, and resulting energy efficiency.

Catalysts↗
NASA NTRS1994

Intraseasonal behavior of clouds, temperature, and motion in the tropics

The spectral character of tropical convection is investigated in an 11-yr record of outgoing longwave radiation from the Advanced Very High Resolution Radiometer (AVHRR) to identify interaction with the tropical circulation. Along the equator in the eastern hemisphere, the space-time spectrum of convection possesses a broad peak at wavenumbers 1-3 and eastward periods of 35-95 days. Significantly broader than the dynamical signal of the Madden-Julian oscillation (MJO), this quasi-discrete convective signal is associatd with a large-scale anomaly that propagates across and modulates time mean or 'climatological convection' over the equatorial Indian Ocean and western Pacific. Outside that region the convective signal is small, even though, under amplified conditions, coherence can be found east of the date line and in the subtropics. Having a zonal scale of approximately wavenumber 2, anomalous convection propagates eastward at some 5 m/s and suppresses as well as reinforces climatological in the eastern hemisphere. The convective signal amplifies to a seasonal maximum near vernal equinox and, to a weaker degree, again near autumnal equinox, when climatological convection and warm sea surface temperature (SST) cross the equator. Contemporaneous records of motion from European Center for medium-Range Weather Forecasts (ECMWF) analyses and tropospheric-mean temperature from Microwave Sounding Unit reveal an anomalous component of the tropical circulation that coexists with the convective signal and embodies many of the established properties of the MJO. In the eastern hemisphere, subtropical Rossby gyres and zonal Kelvin structure along the equator flank the convective anomaly as it tracks eastward, giving the anomalous circulation to form of a 'forced response.' In the western hemisphere, the dynamical signal is composed chiefly of wavenumber-1 Kelvin structure, which as the form of a 'propagating response' that is excited in and radiates away from anomalous convection at some 10 m/s. Kelvin structure comprising the propagating response appears in 850-mb and 200-mb zonal winds even when the convective signal is absent, albeit with much smaller amplitude. In contrast, the signal in 1000-mb convergence appears only when accompanied by anomalous convection, which suggests that convergence in the boundary layer is instrumental in achieving strong interaction with the convective pattern.

Salby, Murry L.↗
NASA NTRS2001

An Analysis of Simulated and Observed Global Mean Near-Surface Air Temperature Anomalies from 1979 to 1999: Trends and Attribution of Causes

The 1979 - 1999 response of the climate system to variations in solar spectral irradiance is estimated by comparing the global averaged surface temperature anomalies simulated by a 2D (two dimensional) energy balance climate model to observed temperature anomalies. We perform a multiple regression of southern oscillation index and the individual model responses to solar irradiance variations, stratospheric and tropospheric aerosol loading, stratospheric ozone trends, and greenhouse gases onto each of five near-surface temperature anomaly data sets. We estimate the observed difference in global mean near surface air temperature attributable to the solar irradiance difference between solar maximum and solar minimum to be between 0.06 and 0.11 K, and that 1.1 - 3.8% of the total variance in monthly mean near-surface air temperature data is attributable to nations in solar spectral irradiance. For the five temperature data sets used in our analysis, the trends in raw monthly mean temperature anomaly data have a large range, spanning a factor of 3 from 0.06 to 0.17 K/decade. However. our analysis suggests that trends in monthly temperature anomalies attributable to the combination of greenhouse gas, stratospheric ozone, and tropospheric sulfate aerosol variations are much more consistent among data sets, ranging from 0.16 to 0.24 K/decade. Our model results suggest that roughly half of the warming from greenhouse gases is cancelled by the cooling from changes in stratospheric ozone. Tropospheric sulfate aerosol loading in the present day atmospheric contributes significantly to the net radiative forcing of the present day climate system. However, because the change in magnitude and latitudinal distribution of tropospheric sulfate aerosol has been small over the past 20 years, the change in the direct radiative forcing attributable to changes in aerosol loading over this time is also small.

MacKay, R. M.↗
DOE OSTI2026

Beyond $\rho ^{2/3}$ scaling: microscopic origins and multimessengers of high-density nuclear symmetry energy

The nature and Equation of State (EOS) of dense neutron-rich matter are still very poorly known, while they have broad impacts on many interesting issues in both astrophysics and nuclear physics. In particular, the nuclear symmetry energy $E_{\textrm{sym}}(\rho )$ encoding the cost to make nuclear matter more neutron-rich has been the most uncertain component of the EOS of dense neutron-rich nucleonic matter. It significantly affects the radii, tidal deformations, cooling rates, and frequencies of various oscillation modes of isolated neutron stars as well as the strain amplitude and frequencies of gravitational waves from their mergers, besides its many effects on the structures of nuclei as well as the dynamics and observables of their collisions. Siemens (1970s) observed that $E_{\textrm{sym}}(\rho )$ scales as $(\rho /\rho _0)^{2/3}$ near the saturation density $\rho _0$ of nuclear matter, since both the kinetic part and the potential contribution (quadratic in momentum) exhibit this dependence. The scaling holds if: (1) the nucleon isoscalar potential is quadratic in momentum, and (2) the isovector interaction is weakly density-dependent. After examining many empirical evidences and understanding theoretical findings in the literature, we conclude that: (1) Siemens’ $\rho ^{2/3}$ scaling is robust and serves as a valuable benchmark for both nuclear theories and experiments up to $2\rho _0$ but breaks down at higher densities, (2) Experimental and theoretical findings about $E_{\textrm{sym}}(\rho )$ up to $2\rho _0$ are broadly consistent, but uncertainties remain large for its curvature $K_{\textrm{sym}}(\rho )$ and higher-order parameters, (3) Above $2\rho _0$ , uncertainties grow due to poorly constrained spin-isospin-dependent tensor and three-body forces as well as the resulting nucleon short-range correlations. Looking forward, combining signals from both observations of neutron stars and terrestrial heavy-ion reaction experiments is the most promising path to finally constraining the high-density $E_{\textrm{sym}}(\rho )$ and the EOS of supradense neutron-rich matter. Multiple examples of community efforts to further constrain the high-density $E_{\textrm{sym}}(\rho )$ using both real and mocked data of present and future high-precision observations of neutron stars, as well as heavy-ion collisions involving high-energy rare isotopes, are briefly reviewed.

Li, Bao-An [East Texas A & M Univ., Commerce, TX (↗
NASA NTRS2016

Supplement of: The Influence of Volcanic Eruptions on the Climate of Tropical South America During the Last Millennium in an Isotope-Enabled General Circulation Model

Currently, little is known on how volcanic eruptions impact large-scale climate phenomena such as South American paleo-intertropical Convergence Zone (ITCZ) position and summer monsoon behavior. In this paper, an analysis of observations and model simulations is employed to assess the influence of large volcanic eruptions on the climate of tropical South America. This problem is first considered for historically recent volcanic episodes for which more observations are available but where fewer events exist and the confounding effects of El NioSouthern Oscillation (ENSO) lead to inconclusive interpretation of the impact of volcanic eruptions at the continental scale. Therefore, we also examine a greater number of reconstructed volcanic events for the period 850CE to present that are incorporated into the NASA GISS ModelE2-R simulation of the last millennium.An advantage of this model is its ability to explicitly track water isotopologues throughout the hydrologic cycle and simulating the isotopic imprint following a large eruption. This effectively removes a degree of uncertainty associated with error-prone conversion of isotopic signals into climate variables, and allows for a direct comparison between GISS simulations and paleoclimate proxy records.Our analysis reveals that both precipitation and oxygen isotope variability respond with a distinct seasonal and spatial structure across tropical South America following an eruption. During austral winter, the heavy oxygen isotope in precipitation is enriched, likely due to reduced moisture convergence in the ITCZ domain and reduced rainfall over northern South America. During austral summer, however, more negative values of the precipitation isotopic composition are simulated over Amazonia, despite reductions in rainfall, suggesting that the isotopic response is not a simple function of the amount effect. During the South American monsoon season, the amplitude of the temperature response to volcanic forcing is larger than the rather weak and spatially less coherent precipitation signal, complicating the isotopic response to changes in the hydrologic cycle.

Colose, Christopher↗
NASA NTRS2016

The Influence of Volcanic Eruptions on the Climate of Tropical South America During the Last Millennium in an Isotope-Enabled General Circulation Model

Currently, little is known on how volcanic eruptions impact large-scale climate phenomena such as South American paleo-intertropical Convergence Zone (ITCZ) position and summer monsoon behavior. In this paper, an analysis of observations and model simulations is employed to assess the influence of large volcanic eruptions on the climate of tropical South America. This problem is first considered for historically recent volcanic episodes for which more observations are available but where fewer events exist and the confounding effects of El Niño-Southern Oscillation (ENSO) lead to inconclusive interpretation of the impact of volcanic eruptions at the continental scale. Therefore, we also examine a greater number of reconstructed volcanic events for the period 850 CE to present that are incorporated into the NASA GISS ModelE2-R simulation of the last millennium. An advantage of this model is its ability to explicitly track water isotopologues throughout the hydrologic cycle and simulating the isotopic imprint following a large eruption. This effectively removes a degree of uncertainty associated with error-prone conversion of isotopic signals into climate variables, and allows for a direct comparison between GISS simulations and paleoclimate proxy records. Our analysis reveals that both precipitation and oxygen isotope variability respond with a distinct seasonal and spatial structure across tropical South America following an eruption. During austral winter, the heavy oxygen isotope in precipitation is enriched, likely due to reduced moisture convergence in the ITCZ domain and reduced rainfall over northern South America. During austral summer, however, more negative values of the precipitation isotopic composition are simulated over Amazonia, despite reductions in rainfall, suggesting that the isotopic response is not a simple function of the "amount effect". During the South American monsoon season, the amplitude of the temperature response to volcanic forcing is larger than the rather weak and spatially less coherent precipitation signal, complicating the isotopic response to changes in the hydrologic cycle.

Colose, Christopher M.↗
NASA NTRS1997

Atmospheric Angular Momentum Fluctuations During 1979-1988 Simulated by Global Circulation Models

Changes in major global dynamical phenomena in the Earth's atmosphere are manifested in the time series of atmospheric angular momentum (AAM), as determined directly from meteorological observations and indirectly from geodetic observations of small fluctuations in the rotation of the solid Earth which are proportional to length of day. AAM fluctuations are intimately linked with energetic processes throughout the whole atmosphere and also with the stresses at the Earth's surface produced largely by turbulent momentum transport in the oceanic and continental boundary layers and by the action of normal pressure forces on orographic features. A stringent test of any numerical global circulation model (GCM) is therefore provided by a quantitative assessment of its ability to represent AAM fluctuations on all relevant timescales, ranging from months to several years. From monthly data provided by the Atmospheric Model Intercomparison Project (AMIP) of the World Climate Research Programme, we have investigated seasonal and interannual fluctuations and the decadal mean in the axial component of AAM in 23 AMIP GCMs over the period 1979-1988. The decadal means are generally well simulated, with the model median value (1.58 x 10(exp 26) kg sq m/s) being only 3.5% larger than the observed mean and with 10 of the models being within 5% of the observed. The seasonal cycle is well reproduced, with the median amplitude of the models seasonal standard deviations being only 2.4% larger than observed. Half the seasonal amplitudes lie within 15% of the observed, and the median correlation found between the observed and model seasonal cycles is 0.95. The dominant seasonal error is an underestimation of AAM during northern hemisphere winter associated with errors in the position of subtropical jets. Less robust are the modeled interannual variations, although the median correlation of 0.61 between model simulations and observed AAM is statistically significant. The two El Nino-Southem Oscillation events that occurred during the AMIP decade 1979-1988 have the expected positive AAM anomalies, although the AAM signature of the 1982-1983 event tends to be underestimated and that of the 1986-1987 event overestimated.

Hide, R.↗
DOE OSTI2025

Ultrafast-induced coherent acoustic phonons in the two-dimensional magnet CrSBr

Magnetism in two-dimensional (2D) van der Waals (vdW) crystals offers promising new directions for low-dimensional physics and devices. In this work, mega-electron volt (MeV) ultrafast electron diffraction was employed to investigate the ultrafast atomic dynamics of a novel, 2D vdW magnetic single-crystal CrSBr. Femtosecond (fs) optical pump pulses excited non-equilibrium atomic displacements shown to be coherent acoustic phonons (CAPs). Phonon frequencies were extracted by analyzing oscillations of different Bragg peak (BP) intensities and were determined to be GHz acoustic disturbances that propagated as strain waves. Phonon modes exhibit anisotropy with respect to the a and b crystal axes. Subharmonic phonon frequencies were also observed, and this provided a signature of nonlinear oscillatory coupling between the laser-induced pumping phonon frequency and secondary phonon frequencies. Thus, CrSBr was found to serve as a nonlinear phononic frequency converter. The ultrafast time dependence of the Bragg intensity was simulated by incorporating an oscillating deviation parameter ansatz into expressions for the dynamical scattering intensity yielded excellent modeling of the ultrafast structural dynamics of the photo-excited 2D crystal. Our work provides a foundation for exploring how fs light pulses can influence phonon dynamics in materials with strong spin-lattice coupling. These results suggest that CAPs can match the magnon frequencies and show the promise of CrSBr for use in optical-to-microwave transducers and phononic devices.

43 PARTICLE ACCELERATORS↗
NASA NTRS1997

Atmospheric Angular Momentum Fluctuations During 1979-1988 Simulated by Global Circulation Models

Changes in major global dynamical phenomena in the Earth's atmosphere are manifested in the time series of atmospheric angular momentum (AAM), as determined directly from meteorological observations and indirectly from geodetic observations of small fluctuations in the rotation of the solid Earth which are proportional to length of day. AAM fluctuations are intimately linked with energetic processes throughout the whole atmosphere and also with the stresses at the Earth's surface produced largely by turbulent momentum transport in the oceanic and continental boundary layers and by the action of normal pressure forces on orographic features. A stringent test of any numerical global circulation model (GCM) is therefore provided by a quantitative assessment of its ability to represent AAM fluctuations on all relevant timescales, ranging from months to several years. From monthly data provided by the Atmospheric Model Intercomparison Project (AMIP) of the World Climate Research Programme, we have investigated seasonal and interannual fluctuations and the decadal mean in the axial component of AAM in 23 AMIP GCMs over the period 1979-1 988. The decadal means are generally well simulated, with the model median value (1.58 x 10(exp 26) kg sq m/s) being only 3.5% larger than the observed mean and with 10 of the models being within 5% of the observed. The seasonal cycle is well reproduced, with the median amplitude of the models' seasonal standard deviations being only 2.4% larger than observed. Half the seasonal amplitudes lie within 15% of the observed, and the median correlation found between the observed and model seasonal cycles is 0.95. The dominant seasonal error is an under- estimation of AAM during northern hemisphere winter associated with errors in the position of subtropical jets. Less robust are the modeled interannual variations, although the median correlation of 0.61 between model simulations and observed AAM is statistically significant. The two El Nino-Southern Oscillation events that occurred during the AMIP decade 1979-1988 have the expected positive AAM anomalies, although the AAM signature of the 1982-1983 event tends to be underestimated and that of the 1986-1987 event overestimated.

Hide, R.↗
DOE OSTI2026

Quantum Choreography of the Nucleus: Rotations, Vibrations, and Emergent Structure

Abstract Nuclei are complex many-body quantum systems where interactions of the neutrons and protons via the strong, the weak, and the electromagnetic forces lead to the emergence of simple patterns of energy states that have been described by various theoretical approaches. One of the goals of all the theoretical models is the development of a universal theory that can be applied across the entire chart of nuclides. Significant progress has been made by experiments as well as the increasing sophistication of models, but a universal theory has yet to be established. A recent review of nuclei in the Z = 50–82 region of the chart of nuclides has analyzed all the available compiled data from several decades of studies towards a clarification of the low-lying structure of nuclei. Other reviews have reported and explained the emergence of multiple different shapes in nuclei at somewhat higher excitation energies than the ground state. Some have challenged the interpretation of the first excited K π = 0 + band as a vibration of ground state. This work attempts to provide a guide to determining the nature of the first excited K π = 0 + band in nuclei by the combined use of nuclear lifetimes, energy level evolutions, dynamic moments of inertia, and intrinsic quadrupole moments extracted from transition probabilities. The result is that for a subset of the nuclei in this region, the K π = 0 + band is consistent with the traditional 𝛽-vibration description of an oscillation built on the ground state.

CHFB+5DCH↗
NASA NTRS2019

The Role of Oceanic Processes in the Initiation of Boreal Winter Intraseasonal Oscillations over the Indian Ocean

Observational analyses and a hierarchy of ocean general circulation model (OGCM) experiments were performed to understand the influence of oceanic processes on the warm sea surface temperature anomalies (SSTAs) prior to the convection initiation of boreal winter intraseasonal oscillations (ISOs), including the Madden-Julian Oscillation (MJO), in the equatorial Indian Ocean. We found 39 strong ISOs that passed over the Indian Ocean Warm Pool region during the November-April season of the 2001-2012 period. 17/39 ISO events initiated in the Seychelles-Chagos Thermocline Ridge (SCTR) before propagating eastward; the remaining events initiated in the southern Arabian Sea (6) or Warm Pool (16) regions. The SCTR event set was notable in that it contained more global-scale MJOs (71-76%), as defined by the RMM and OMI indices, than the WP events (25-44%). Additionally, ~24% (44%) of the SCTR (Warm Pool) events were preceded by strong oceanic process-induced SSTAs of similar magnitude to those of shortwave radiative and turbulent heat fluxes. The Arabian Sea events, however, were not associated with statistically significant SSTA signals prior to convection. Based on a mixed layer heat budget analysis, entrainment and upwelling reduction were the dominant oceanic processes contributing to the warming, in contrast with boreal summer, when horizontal advection dominated. We examined several case studies, including primary MJO events, where oceanic Rossby waves were associated with the entrainment and upwelling reduction. Two simple atmospheric boundary layer convergence models revealed that the SSTAs contributed at least half of the total convergence and suggested that the ocean dynamical effect was responsible for the majority of SSTA-forced convergence for those case studies. These results underscore the need for climate prediction models to accurately represent the ocean structure and processes to include the effects of oceanic predictors.

West, B. Jason↗
NASA NTRS2014

Implementation and Initial Validation of a 100-Kilowatt Class Nested-Channel Hall Thruster

The X3 is a 100-kilowatt class nested-channel Hall thruster developed by the Plasmadynamics and Electric Propulsion Laboratory at the University of Michigan in collaboration with the Air Force Research Laboratory and NASA. The cathode, magnetic circuit, boron nitride channel rings, and anodes all required specific design considerations during thruster development, and thermal modeling was used to properly account for thermal growth in material selection and component design. A number of facility upgrades were required at the University of Michigan to facilitate operation of the X3. These upgrades included a re-worked propellant feed system, a completely redesigned power and telemetry break-out box, and numerous updates to thruster handling equipment. The X3 was tested on xenon propellant at two current densities, 37% and 73% of the nominal design value. It was operated to a maximum steady-state discharge power of 60.8 kilowatts. The tests presented here served as an initial validation of thruster operation. Thruster behavior was monitored with telemetry, photography and high-speed current probes. The photography showed a uniform plume throughout testing. At constant current density, reductions in mass flow rate of 18% and 26% were observed in the three-channel operating configuration as compared to the superposition of each channel running individually. The high-speed current probes showed that the thruster was stable at all operating points and that the channels influence each other when more than one is operating simultaneously. Additionally, the ratio of peak-to-peak AC-coupled discharge current oscillations to mean discharge current did not exceed 51% for any operating points reported here, and did not exceed 17% at the higher current density.

High Power↗
DOE OSTI2025

Untangling Sources of Error in the Density-Functional Many-Body Expansion

The many-body expansion provides a framework for data-driven applications of electronic structure theory, including parametrization of classical force fields and machine learning. In this article, we demonstrate that its use significantly amplifies quadrature grid errors when modern density-functional approximations are employed. Standard grids that work well in conventional density-functional calculations result in runaway error accumulation when used with the many-body expansion. At the same time, delocalization error is also exacerbated, leading to exaggerated estimates of nonadditive n-body interactions. This is illustrated for anion–water clusters using the SCAN, r2SCAN, ωB97X-V and ωB97M-V functionals. By employing dense quadrature grids, the inherent self-interaction error is exposed, which can then be mitigated using a variety of other strategies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Role of Nematicity in Controlling Spin Fluctuations and Superconducting Tc in Bulk FeSe

FeSe undergoes a transition from a tetragonal to a slightly orthorhombic phase at 90 K and becomes a superconductor below 8 K. The orthorhombic phase is sometimes called a nematic phase because quantum oscillation, neutron, and other measurements detect a significant asymmetry in x and y. How nematicity affects superconductivity has recently become a matter of intense speculation. Here, we employ an advanced ab initio Green's function description of superconductivity and show that bulk tetragonal FeSe would, in principle, superconduct with almost the same critical temperature Tc as the nematic phase. The mechanism driving the observed nematicity is not yet understood. Since the present theory underestimates it, we simulate the full nematic asymmetry by artificially enhancing the orthorhombic distortion. For benchmarking, we compare theoretical spin susceptibilities against experimentally observed data over all energies and relevant momenta. When the orthorhombic distortion is adjusted to correlate with observed nematicity in spin susceptibility, the enhanced nematicity causes spectral weight redistribution in the Fe-3dxz and Fe-dyz orbitals, but it leads to at most a 10-15% increment in Tc. This is because the dxy orbital always remains the most strongly correlated and provides most of the source of the superconducting glue. Nematicity suppresses the density of states at the Fermi level; nevertheless, Tc increases, in contradiction to both BCS theory and the theory of Bose-Einstein condensation. We show how the increase is connected to the structure of the particle-particle vertex. Our results suggest that while nematicity may be an intrinsic property of bulk FeSe, it is not the primary force driving the superconducting pairing.

bulk FeSe↗
DOE OSTI2021

Optimizing Power Generation of a Bottom-Raised Oscillating Surge Wave Energy Converter Using a Theoretical Model: Preprint

Preliminary sizing of an oscillating surge wave energy converter (OSWEC) is an iterative process that relies on knowledge of the relevant hydrodynamic coefficients for a given geometry. Often, the complex definition of the device geometry requires coefficients to be obtained through experiments or numerical boundary element solvers such as WAMIT. These techniques demand significant user and computational effort, therefore inhibiting the fine scale parametrization of object dimensions. In this study, a theoretical model, originally presented in Michele et al. (2016), is developed and demonstrated to efficiently optimize the power production for an OSWEC device (subjected to certain environmental conditions) with variations in device widths, heights, and distances from the seabed. Assuming negligible device thickness, the OSWEC motions are modelled as a bottom-raised two-dimensional flap in regular waves using potential flow theory formulated in elliptical coordinates. The solutions to this diffraction-radiation problem are obtained using Mathieu functions with appropriate boundary conditions. The resulting potentials are then used to derive frequency-dependent expressions for the added mass and radiation damping coefficients, along with wave excitation magnitude in surge, pitch, and coupled surge-pitch motions. Good agreement in hydrodynamic coefficient curves is shown between the theoretical model and the numerical results obtained from the boundary element-based program WAMIT. The theoretical model is then employed to maximize the time-averaged output power while maintaining or reducing the hinge reaction force, with variations in device dimensions, wave frequency and amplitude.

ACE↗