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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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NASA NTRS1983

Global empirical model of the Venus thermosphere

Direct measurements of neutral CO2, O, CO, N2, He, and N densities from the Pioneer Venus Orbiter Neutral Mass Spectrometer are described in terms of a spherical harmonic representation (latitude and local time coordinates) of exospheric temperature and number densities at 150 km, using modified Bates temperature profiles. The exospheric temperatures are determined from the altitude variations of atomic oxygen. A global average temperature of 228 K is derived with a first harmonic variation of 5%. The altitude profiles are extended downward to 100 km by using empirical formulas to provide a transition through the turbopause region (simulating the effect of eddy diffusion and vertical flows) and matching entry probe density data. The model reflects the observed variations of temperature and density with the 10.7 cm radio flux index. For a given change in flux at the planet, the exospheric temperature on Venus changes by only 10% of the change seen in the terrestrial thermosphere.

Hedin, A. E.↗
DOE OSTI2017

Interfacial mixing in high-energy-density matter with a multiphysics kinetic model

We have extended here a recently developed multispecies, multitemperature Bhatnagar-Gross-Krook model [Haack et al., J. Stat. Phys. 168, 822 (2017)], to include multiphysics capabilities that enable modeling of a wider range of physical conditions. In terms of geometry, we have extended from the spatially homogeneous setting to one spatial dimension. In terms of the physics, we have included an atomic ionization model, accurate collision physics across coupling regimes, self-consistent electric fields, and degeneracy in the electronic screening. We apply the model to a warm dense matter scenario in which the ablator-fuel interface of an inertial confinement fusion target is heated, but for larger length and time scales and for much higher temperatures than can be simulated using molecular dynamics. Relative to molecular dynamics, the kinetic model greatly extends the temperature regime and the spatiotemporal scales over which we are able to model. In our numerical results we observe hydrogen from the ablator material jetting into the fuel during the early stages of the implosion and compare the relative size of various diffusion components (Fickean diffusion, electrodiffusion, and barodiffusion) that drive this process. We also examine kinetic effects, such as anisotropic distributions and velocity separation, in order to determine when this problem can be described with a hydrodynamic model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Evaluation of a multi-scale WRF-CAM5 simulation during the 2010 East Asian Summer Monsoon

The Weather Research and Forecasting model with Chemistry (WRF-Chem) with the physics package of the Community Atmosphere Model Version 5 (CAM5) has been applied at multiple scales over Eastern China (EC) and the Yangtze River Delta (YRD) to evaluate how increased horizontal resolution with physics designed for a coarser resolution climate model impacts aerosols and clouds, and the resulting precipitation characteristics and performance during the 2010 East Asian Summer Monsoon (EASM). Despite large underpredictions in surface aerosol concentrations and aerosol optical depth, there is good spatial agreement with surface observations of chemical predictions, and increasing spatial resolution tends to improve performance. Model bias and normalized root mean square values for precipitation predictions are relatively small, but there are significant differences when comparing modeled and observed probability density functions for precipitation in EC and YRD. Increasing model horizontal resolution tends to reduce model bias and error for precipitation predictions. The surface and column aerosol loading is maximized between about 32N and 42N in early to mid-May during the 2010 EASM, and then shifts north while decreasing in magnitude during July and August. Changing model resolution moderately changes the spatiotemporal relationships between aerosols, cloud properties, and precipitation during the EASM, thus demonstrating the importance of model grid resolution in simulating EASM circulation and rainfall patterns over EC and the YRD. Results from this work demonstrate the capability and limitations in the aerosol, cloud, and precipitation representation of WRF-CAM5 for regional-scale applications down to relatively fine horizontal resolutions. Further WRF-CAM5 model development and application in this area is needed.

Campbell, Patrick↗
NASA NTRS2021

Predicting near-saturated hydraulic conductivity in urban soils

Pedotransfer functions (PTFs) provide point predictions of soil hydraulic properties from more readily measured soil characteristics, yet uncertainties and biases in measurement methods, sampling distributions, and boundary conditions can limit accuracy when estimating near-saturated hydraulic conductivity (K(n)). These limitations may be particularly problematic in understudied urban landscapes that often contain altered hydraulic properties. To better treat deficiencies in PTF performance, we addressed three objectives, which were to: 1) develop PTFs to predict urban K(n), 2) assess bulk density and coarse fragments as explanatory variables; and 3) evaluate the predictive capability of these PTFs by comparing their output to measured hydraulic conductivity values from three other studies of urban soil hydraulics. We used artificial neural networks (ANN) and random forest (RF) approaches to predict urban K(n), with the training dataset including 307 tension infiltrometer tests and other measurements drawn from urban soil assessments in 11 U.S. cities. The PTFs utilized a hierarchy of inputs, starting with percentage sand, silt, clay, and then adding percentage coarse fragments and bulk density. The ANN models performed similar to the RF models, and all models exhibited similar or better predictive performance as models results collected from published articles. The inclusion of bulk density or coarse fragments did not improve accuracy over soil texture alone. Possible reasons for this result include low correlation between K(n) and bulk density and the exclusion of large voids during flow measurements with tension infiltrometers. The models have been made available as an open-source software package to encourage adoption by users working in urban systems.

Jinshi Jian↗
DOE OSTI2024

On the trapped magnetic moment in type-II superconductors

In this article, measurements of the trapped (remanent) magnetic moment, M trap (H) , when a small magnetic field H is turned off after cooling below the superconducting transition temperature, T c , or ramping a magnetic field up and down after cooling in a zero magnetic field, offer substantial advantages in difficult cases of small samples and large field-dependent backgrounds, which is relevant for hydrogen-based ultra-high-T c superconductors (UHTS). Until recently, there was no need for a separate paper on the trapped magnetic flux for well-known critical-state models due to the simplicity of the physics involved. However, recent publications showed the need for such an analysis. This note summarizes the expectations for the Bean model with constant critical current density and the Kim model with field-dependent critical currents. It is shown that if the trapped moment is fitted to the power law, M trap $\propto$ H a , the fixed exponent α = 2 is exact for the Bean model, while Kim models show a wide interval of possible values, 2$\leqslant$a$\leqslant$4. Furthermore, accounting for reversible magnetization expands the range of possible exponents to 1$\leqslant$a$\leqslant$4. In addition, demagnetizing factors are essential and make the trapped moment orientation dependent even in isotropic materials. As a concrete application, it is shown that flux trapping experiments performed on H 3 S UHTS compounds can be well described using this generalized approach, lending further support to the type-II superconducting nature of H 3 S under ultra-high pressure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Implicit quantile networks for emulation in jet physics

Abstract The ability to model and sample from conditional densities is important in many physics applications. Implicit quantile networks (IQN) have been successfully applied to this task in domains outside physics. In this work, we illustrate the potential of IQNs as components of emulators using the simulation of jets as an example. Specifically, we use an IQN to map jets described by their 4-momenta at the generation level to jets at the event reconstruction level. The conditional densities emulated by our model closely match those generated by Delphes , while also enabling faster jet simulation.

Kronheim, Braden (ORCID:0000000307040972)↗
DOE OSTI2024

Investigating the effects of precise mass measurements of Ru and Pd isotopes on machine learning mass modeling

Atomic masses are a foundational quantity in our understanding of nuclear structure, astrophysics, and fundamental symmetries. The longstanding goal of creating a predictive global model for the binding energy of a nucleus remains a significant challenge, however, and prompts the need for precise measurements of atomic masses to serve as anchor points for model developments. We present precise mass measurements of neutron-rich Ru and Pd isotopes performed at the Californium Rare Isotope Breeder Upgrade facility at Argonne National Laboratory using the Canadian Penning Trap mass spectrometer. The masses of 108 Ru, 110 Ru, and 116 Pd were measured to a relative mass precision $\delta$⁢$m/m$ ≈ 10 -8 via the phase-imaging ion-cyclotron-resonance technique, and represent an improvement of approximately an order of magnitude over previous measurements. Further, these mass data were used in conjunction with the physically interpretable machine learning (PIML) model, which uses a mixture density neural network to model mass excesses via a mixture of Gaussian distributions. The effects of our new mass data on a Bayesian-updating of a PIML model are presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Miniaturized magnet-less RF electron trap. II. Experimental verification

Atomic microsystems have the potential of providing extremely accurate measurements of timing and acceleration. But, atomic microsystems require active maintenance of ultrahigh vacuum in order to have reasonable operating lifetimes and are particularly sensitive to magnetic fields that are used to trap electrons in traditional sputter ion pumps. Our paper presents an approach to trapping electrons without the use of magnetic fields, using radio frequency (RF) fields established between two perforated electrodes. The challenges associated with this magnet-less approach, as well as the miniaturization of the structure, are addressed. These include, for example, the transfer of large voltage (100–200 V) RF power to capacitive loads presented by the structure. The electron trapping module (ETM) described here uses eight electrode elements to confine and measure electrons injected by an electron beam, within an active trap volume of 0.7 cm 3 . The operating RF frequency is 143.6 MHz, which is the measured series resonant frequency between the two RF electrodes. It was found experimentally that the steady state electrode potentials on electrodes near the trap became more negative after applying a range of RF power levels (up to 0.15 W through the ETM), indicating electron densities of ≈3 × 10 5 cm -3 near the walls of the trap. The observed results align well with predicted electron densities from analytical and numerical models. The peak electron density within the trap is estimated as ~1000 times the electron density in the electron beam as it exits the electron gun. Finally, this successful demonstration of the RF electron trapping concept addresses critical challenges in the development of miniaturized magnet-less ion pumps.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

equivariant_electron_density

SAND2022-3548 O This code contains scripts that allow users to generate molecular electron densities, train a machine learning model to predict electron densities, and analyze the accuracy of machine learned electron densities. It accompanies a publication titled "Cracking the Quantum Scaling Limit with Machine Learned Electron Densities.” Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Rackers, Joshua↗
DOE OSTI2016

Silicone Molding and Lifetime Testing of Peripheral Nerve Interfaces for Neuroprostheses

Implantable peripheral nerve cuffs have a large application in neuroprostheses as they can be used to restore sensation to those with upper limb amputations. Modern day prosthetics, while lessening the pain associated with phantom limb syndrome, have limited fine motor control and do not provide sensory feedback to patients. Sensory feedback with prosthetics requires communication between the nervous system and limbs, and is still a challenge to accomplish with amputees. Establishing this communication between the peripheral nerves in the arm and artificial limbs is vital as prosthetics research aims to provide sensory feedback to amputees. Peripheral nerve cuffs restore sensation by electrically stimulating certain parts of the nerve in order to create feeling in the hand. Cuff electrodes have an advantage over standard electrodes as they have high selective stimulation by bringing the electrical interface close to the neural tissue in order to selectively activate targeted regions of a peripheral nerve. In order to further improve the selective stimulation of these nerve cuffs, there is need for finer spatial resolution among electrodes. One method to achieve a higher spatial resolution is to increase the electrode density on the cuff itself. Microfabrication techniques can be used to achieve this higher electrode density. Using L-Edit, a layout editor, microfabricated peripheral nerve cuffs were designed with a higher electrode density than the current model. This increase in electrode density translates to an increase in spatial resolution by at least one order of magnitude. Microfabricated devices also have two separate components that are necessary to understand before implantation: lifetime of the device and assembly to prevent nerve damage. Silicone molding procedures were optimized so that devices do not damage nerves in vivo, and lifetime testing was performed on test microfabricated devices to determine their lifetime in vivo. Future work of this project would include fabricating some of the designed devices and seeing how they compare to the current cuffs in terms of their electrical performance, lifetime, shape, and mechanical properties.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1992

The bulk composition, mineralogy and internal structure of Mars

A bulk composition for Mars is derived to a pressure-dependent mineralogy. The density distribution of the present model is compared with density distributions derived from the global gravity field. It is argued that the uppermost Martian mantle is likely to be dominated by olivine and orthopyroxene, as is the earth's upper mantle, although the Martian mantle has a lower MgO/(MgO + FeO) ratio (0.74 vs 0.89). The olivine-peridotite layer extends to a depth of 900 to 1100 km where the transition to silicate spinel begins. Calculations of the high-pressure liquidus and solidus temperatures indicate that for the case of a molten core the minimum temperature at the core-mantle boundary is about 2000 K, whereas for the case of a solid core the maximum temperature is about 1800 K. Summation of the masses in the various layers of Mars yields a value of 0.353 for the dimensionless moment of inertia, which is intermediate between the generally accepted value of 0.365 and the value of 0.345 predicated on a nonaxisymmetric distribution of mass about the Tharsis plateau.

Longhi, John↗
DOE OSTI2021

Superconductivity, charge density waves, and bipolarons in the Holstein model

The electron-phonon ( e-ph ) interaction remains of great interest in condensed matter physics and plays a vital role in realizing superconductors, charge density waves (CDW), and polarons. We study the two-dimensional Holstein model for e-ph coupling using determinant quantum Monte Carlo across a wide range of its phase diagram as a function of temperature, electron density, dimensionless e-ph coupling strength, and the adiabatic ratio of the phonon frequency to the Fermi energy. We describe the behavior of the CDW correlations, the competition between superconducting and CDW orders and polaron formation, the optimal conditions for superconductivity, and the transition from the weak-coupling regime to the strong-coupling regime. Superconductivity is optimized at intermediate e-ph coupling strength and intermediate electron density, and the superconducting correlations increase monotonically with phonon frequency. The global maximum for superconductivity in the Holstein model occurs at large phonon frequency, the limit where an attractive Hubbard model effectively describes the physics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Search for gamma-ray emission from p -wave dark matter annihilation in the Galactic Center

Indirect searches for dark matter through Standard Model products of its annihilation generally assume a cross section which is dominated by a term independent of velocity (s-wave annihilation). However, in many dark matter (DM) models, an s-wave annihilation cross section is absent or helicity suppressed. To reproduce the correct DM relic density in these models, the leading term in the cross section is proportional to the DM velocity squared (p-wave annihilation). Indirect detection of such p-wave DM is difficult because the average velocities of DM in galaxies today are orders of magnitude slower than the DM velocity at the time of decoupling from the primordial thermal plasma, thus suppressing the annihilation cross section today by some 5 orders of magnitude relative to its value at freeze-out. Thus p-wave DM is out of reach of traditional searches for DM annihilations in the Galactic halo. Near the region of influence of a central supermassive black hole, such as Sgr A*, however, DM can form a localized overdensity known as a “spike.” In such spikes, the DM is predicted to be both concentrated in space and accelerated to higher velocities, thereby allowing the γ-ray signature from its annihilation to potentially be detectable above the background. We use the Fermi Large Area Telescope to search for the γ-ray signature of p-wave annihilating DM from a spike around Sgr A* in the energy range 10–600 GeV. Such a signal would appear as a point source and would have a sharp line or boxlike spectral features difficult to mimic with standard astrophysical processes, indicating a DM origin. We find no significant excess of γ rays in this range, and we place upper limits on the flux in γ-ray boxes originating from the Galactic Center. Furthermore, this result, the first of its kind, is interpreted in the context of different models of the DM density near Sgr A*.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2000

Variable Density Multilayer Insulation for Cryogenic Storage

Two analytical models for a foam/Variable Density Multi-Layer Insulation (VD-MLI) system performance are discussed. Both models are one-dimensional and contain three heat transfer mechanisms, namely conduction through the spacer material, radiation between the shields, and conduction through the gas. One model is based on the methodology developed by McIntosh while the other model is based on the Lockheed semi-empirical approach. All models input variables are based on the Multi-purpose Hydrogen Test Bed (MHTB) geometry and available values for material properties and empirical solid conduction coefficient. Heat flux predictions are in good agreement with the MHTB data, The heat flux predictions are presented for the foam/MLI combinations with 30, 45, 60, and 75 MLI layers

Hedayat, A.↗
NASA NTRS1978

Lateral density anomalies and the earth's gravitational field

The interpretation of gravity is valuable for understanding lithospheric plate motion and mantle convection. Postulated models of anomalous mass distributions in the earth and the observed geopotential as expressed in the spherical harmonic expansion are compared. In particular, models of the anomalous density as a function of radius are found which can closely match the average magnitude of the spherical harmonic coefficients of a degree. These models include: (1) a two-component model consisting of an anomalous layer at 200 km depth (below the earth's surface) and at 1500 km depth (2) a two-component model where the upper component is distributed in the region between 1000 and 2800 km depth, and(3) a model with density anomalies which continuously increase with depth more than an order of magnitude.

Lowrey, B. E.↗
NASA NTRS2023

Data-constrained Solar Modeling with GX Simulator

To facilitate the study of solarflares and active regions, we have created a modeling framework, the freelydistributed GX Simulator IDL package, that combines 3D magnetic and plasma structures with thermal andnonthermal models of the chromosphere, transition region, and corona. Its object-based modular architecture,which runs on Windows, Mac, and Unix/Linux platforms, offers the ability to either import 3D density andtemperature distribution models, or to assign numerically defined coronal or chromospheric temperatures anddensities, or their distributions, to each individual voxel. GX Simulator can apply parametric heating modelsinvolving average properties of the magneticfield lines crossing a given voxel, as well as compute and investigatethe spatial and spectral properties of radio,(sub)millimeter, EUV, and X-ray emissions calculated from the model,and quantitatively compare them with observations. The package includes a fully automatic model productionpipeline that, based on minimal users input, downloads the required SDO/HMI vector magneticfield data,performs potential or nonlinear force-freefield extrapolations, populates the magneticfield skeleton withparameterized heated plasma coronal models that assume either steady-state or impulsive plasma heating, andgenerates non-LTE density and temperature distribution models of the chromosphere that are constrained byphotospheric measurements. The standardized models produced by this pipeline may be further customizedthrough specialized IDL scripts, or a set of interactive tools provided by the graphical user interface. Here, wedescribe the GX Simulator framework and its applications.

Solar active regions↗
DOE OSTI2024

Constraints on 5 f -electron magnetism in Ga-stabilized $δ$-Pu from x-ray magnetic circular dichroism

Density-functional theory models of δ-Pu accurately predict crystal structure, phonon density of states, and unit cell volumes but require magnetic degrees of freedom which have never been experimentally verified. Some models invoke an on-site cancellation of spin and orbital moments, engendering a near-zero bulk magnetization, undetectable by most probes. Here, we employ x-ray magnetic circular dichroism at the Pu M 4,5 edges to directly probe spin and orbital moments using the magneto-optical sum rules. The data show no dichroism within experimental error, constraining polarized moments at 6 T and 3 K to μ L,S <0.1⁢μ B . Finally, these experiments point to the absence of even unconventional spin-orbit compensated order in δ-Pu.

36 MATERIALS SCIENCE↗