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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

The flow-chart loop: temperature, density, and cooling observables supporting nanoflare coronal heating models

We have tested three controversial properties for a target loop observed with the Atmospheric Imaging Assembly: (1) overdense loops; (2) long-lifetime loops; and (3) multithermal loops. Our loop is overdense by a factor of about 10 compared to results expected from steady uniform heating models. If this were the only inconsistency, our loop could still be modeled as a single strand, but the density mismatch would imply that the heating must be impulsive. Moving on to the second observable, however, we find that the loop lifetime is at least an order of magnitude greater than the predicted cooling time. This implies that the loop cannot be composed of a single flux tube, even if the heating were dynamic, and must be multi-stranded. Finally, differential emission measure analysis shows that the cross-field temperature of the target loop is multithermal in the early and middle phases of its lifetime, but effectively isothermal before it fades from view. If these multithermal cooling results are found to be widespread, our results could resolve the original coronal loop controversy of 'isothermal' versus 'multithermal' cross-field temperatures. That is, the cross-field temperature is not always 'multithermal' nor is it always 'isothermal', but might change as the loop cools. We find that the existence and evolution of this loop is consistent with predictions of nanoflare heating.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Investigating effects of soil chemicals on density of small mammal bioindicators using spatial capture-recapture models

Monitoring the ecological impacts of environmental pollution and the effectiveness of remediation efforts requires identifying relationships between contaminants and the disruption of biological processes in populations, communities, or ecosystems. Wildlife are useful bioindicators, but traditional comparative experimental approaches rely on a staunch and typically unverifiable assumption that, in the absence of contaminants, reference and contaminated sites would support the same densities of bioindicators, thereby inferring direct causation from indirect data. We demonstrate the utility of spatial capture-recapture (SCR) models for overcoming these issues, testing if community density of common small mammal bioindicators was directly influenced by soil chemical concentrations. By modeling density as an inhomogeneous Poisson point process, we found evidence for an inverse spatial relationship between Peromyscus density and soil mercury concentrations, but not other chemicals, such as polychlorinated biphenyls, at a site formerly occupied by a nuclear reactor. Although the coefficient point estimate supported Peromyscus density being lower where mercury concentrations were higher (β = –0.44), the 95% confidence interval overlapped zero, suggesting no effect was also compatible with our data. Estimated density from the most parsimonious model (2.88 mice/ha; 95% CI = 1.63–5.08), which did not support a density-chemical relationship, was within the range of reported densities for Peromyscus that did not inhabit contaminated sites elsewhere. Environmental pollution remains a global threat to biodiversity and ecosystem and human health, and our study provides an illustrative example of the utility of SCR models for investigating the effects that chemicals may have on wildlife bioindicator populations and communities.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Feedback density and causal complexity of simulation model structure

Measures of simulation model complexity generally focus on outputs; we propose measuring the complexity of a model’s causal structure to gain insight into its fundamental character. This article introduces tools for measuring causal complexity. First, we introduce a method for developing a model’s causal structure diagram, which characterises the causal interactions present in the code. Causal structure diagrams facilitate comparison of simulation models, including those from different paradigms. Next, we develop metrics for evaluating a model’s causal complexity using its causal structure diagram. We discuss cyclomatic complexity as a measure of the intricacy of causal structure and introduce two new metrics that incorporate the concept of feedback, a fundamental component of causal structure. The first new metric introduced here is feedback density, a measure of the cycle-based interconnectedness of causal structure. The second metric combines cyclomatic complexity and feedback density into a comprehensive causal complexity measure. Finally, we demonstrate these complexity metrics on simulation models from multiple paradigms and discuss potential uses and interpretations. These tools enable direct comparison of models across paradigms and provide a mechanism for measuring and discussing complexity based on a model’s fundamental assumptions and design.

97 MATHEMATICS AND COMPUTING↗
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 OSTI2015

The mass-radius relationship of massive compact stars

The properties of pure hadronic and hybrid compact stars are reviewed using nuclear equation of state (EoS) for β-equilibrated neutron star (NS) matter obtained using a density-dependent M3Y (DDM3Y) effective nucleon-nucleon interaction. Depending on the model, the energy density of quark matter can be lower than that of this nuclear EoS at higher densities, implying the possibility of transition to quark matter inside the core and the transition density depends on the particular quark matter model used. The recent observations of the binary millisecond pulsar J1614–2230 by P.B. Demorest et al. [1] and PSR J0348+0432 by J. Antoniadis et al. [2] suggest that the masses lie within 1.97 ± 0.04 M{sub ⊙} and 2.01 ± 0.04 M{sub ⊙}, respectively, where M{sub ⊙} is the solar mass. In conformity with recent observations, a pure nucleonic EoS determines that the maximum mass of NS rotating with frequency ν∼ 667 Hz below r-mode instability is ∼ 1.95 M{sub ⊙} with radius ∼ 10 km. Compact stars with quark cores rotating with same frequency have the maximum mass of ∼ 1.72 M{sub ⊙} turns out to be lower than the observed masses.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Electron-Ion Dynamics with Time-Dependent Density Functional Theory: Towards Predictive Solar Cell Modeling: Final Technical Report

This project investigates the accuracy of currently-used functionals in time-dependent density functional theory, which is today routinely used to predict and design materials and computationally model processes in solar energy conversion. The rigorously-based electron-ion dynamics method developed here sheds light on traditional methods and overcomes challenges those methods have. The fundamental research undertaken here is important for building reliable and practical methods for materials discovery. The ultimate goal is to use these tools for the computational design of new materials for solar cell devices of high efficiency.

14 SOLAR ENERGY↗
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 OSTI2016

Adsorbate-Induced Changes in Magnetic Interactions in Fe 2 (dobdc) with Adsorbed Hydrocarbon Molecules

Metal–organic frameworks, which are a special case of coordination polymers, form a class of materials with numerous applications due to their high porosities and large internal surface areas and in some cases also due to paramagnetic metal ions. A family of such materials of general formula M 2 (dobdc) (where M is a divalent metal ion, and dobdc 4 – is 2,5-dioxido-1,4-benzenedicarboxylate) has attracted considerable attention for gas separation, catalysis, and magnetism. Here, in this work, we explore the magnetic properties of a member of this class, Fe 2 (dobdc), both in the activated form (bare MOF after solvent removal) and when hydrocarbons are bound to the open coordination sites of the metal. We report quantum mechanical electronic structure calculations using both cluster models and a periodic model, and we compare our results to previously reported theoretical studies. We find that hydrocarbon adsorption only mildly affects the isotropic couplings, but that the isotropic magnetic couplings obtained with hybrid exchange–correlation functionals for the cluster models were found to be in good agreement with the experimental values, and the ones obtained using local exchange–correlation functionals with empirical Coulomb and exchange integrals for the periodic models were also found to agree well with experiments. Furthermore, hybrid density functionals for cluster models and local density functionals with empirical Coulomb and exchange integrals for periodic models are both found to give good agreement with the experimental result that the adsorption of ethylene changes the magnetic ordering. We also used second-order n-electron valence state perturbation theory and contracted spin-orbit configuration interaction to study the role of adsorption on the crystal-field splitting of the quintet manifold and on the single-ion anisotropy of the iron center.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗