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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 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1975

Civil mini-RPA's for the 1980's: Avionics design considerations

A number of remote sensing or surveillance tasks (e.g., fire fighting, crop monitoring) in the civilian sector of our society may be performed in a cost effective manner by use of small remotely piloted aircraft (RPA). This study was conducted to determine equipment (and the associated technology) that is available, and that could be applied to the mini-RPA and to examine the potential applications of the mini-RPA with special emphasis on the wild fire surveillance mission. The operational considerations of using the mini-RPA as affected by government regulatory agencies were investigated. These led to equipment requirements (e.g., infra-red sensors) over and above those for the performance of the mission. A computer technology survey and forecast was performed. Key subsystems were identified, and a distributed microcomputer configuration, that was functionally modular, was recommended. Areas for further NASA research and development activity were also identified.

Karmarkar, J. S.↗
NASA NTRS2019

Enhancement of the AC RPA

The overall goal of this research project is to improve the response and sensitivity of the AC Retarding Potential Analyzer (RPA). The AC RPA can accurately measure the flux, energy, and energy distribution of charged particles in a space environment. The enhancement of the sensor derives from changes that increase sensitivity of flux measurements through reduction of the baseline noise. The enhanced AC RPA sensor allows diagnosis of required charge particle beams necessary for tests of materials, instruments and subsystems, for future exploration missions.

Israel, Mordecai Ben↗
DOE OSTI2026

SCF Framework, HF Stability, and RPA Correlation for Jordan–Wigner-Transformed Spin Hamiltonians on Arbitrary Coupling Topologies

Mapping spins to fermions via the Jordan–Wigner (JW) transformation can render mean-field (Hartree–Fock, HF) descriptions effective for strongly correlated spin systems. As established in recent work, the application of such approaches is not limited by the nonlocal structure of JW strings or by site ordering because string operators can be absorbed into Thouless rotations of a Slater determinant, and the variational optimization of a unitary Lie-algebraic similarity transformation removes any ordering dependence. Leveraging these ideas, we develop a self-consistent field (SCF) scheme that expresses the mean-field energy as a functional of the single-particle density matrix, providing an alternative to gradient-based optimization of Thouless parameters. We derive the analytical orbital Hessian to diagnose HF stability and compute the ground-state correlation energy through the random-phase approximation (RPA). Benchmark results for the XXZ and J 1 –J 2 model on one- and two-dimensional lattices demonstrate that RPA significantly improves mean-field accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1981

Analysis of data from Viking RPA's

Measurements of the martian ionosphere performed by Viking Retarding Potential Analyzer (RPA) are reported. Viking RPA measurements of low energy electron fluxes out to 16,000 km above the Mars surface are discussed including both energy spectra and periods of continuous monitoring of the total flux above 15 ev. The mean electron current at energies greater than ev increases montonically by nearly two orders of magnitude from about 9000 km down to 700 km, but no clear signature of the bow shock is seen. The total wave power in the 2 sec measurement intervals for this current does, however, show a broad peak near 1700 km altitude. These variations in the low energy electron fluxes are related to whistler mode oscillations in the solar wind plasma. It is concluded that there may be a highly turbulent shock structure that masks a clear signature of the bow shock in the time averaged data.

Hanson, W. B.↗
NASA NTRS1982

Use of the thin sheath approximation for obtaining ion temperatures from the ISEE 1 limited aperture RPA

A procedure for analyzing low-energy (less than approximately 100 eV) ion data from the plasma composition experiment on ISEE 1 is set forth. The method is based on a derived analytic expression for particle flux to a limited aperture retarding potential analyzer (RPA) in the thin sheath approximation, which makes allowance for some effects of a charged spacecraft on plasma particle trajectories. Calculations using simulated data are employed in testing the efficacy and accuracy of the technique. On the basis of an analysis of these calculation results and the mathematical model, the method is seen as being able to provide accurate ion temperatures from all good plasmaspheric RPA data. It is noted that corresponding densities and spacecraft potentials should be accurate when spacecraft potentials are negative but that they are subject to error for positive spacecraft potentials, particularly when ion Mach numbers are much less than 1. An analysis of data from a representative ISEE 1 pass produces a plasmasphere temperature profile that is consistent in overall structure with previous observations.

Comfort, R. H.↗
NASA NTRS1979

Thermal structure and major ion composition of the Venus ionosphere - First RPA results from Venus orbiter

Pioneer Venus in situ measurements of thermal plasma quantities were obtained by a retarding potential analyzer. Evidence for significant solar wind heating of the ionosphere and indications that the ionosphere is close to diffusive equilibrium are reported. Information on ionopause height, the ionospheric particle pressures at the ionopause, and the measured ratio of ionospheric scale height to ionopause ratio is presented.

Knudsen, W. C.↗
NASA NTRS1997

The Diagnostics of the External Plasma for the Plasma Rocket

Three regions of plasma temperature/energy are being investigated to understand fully the behavior of the plasma created by the propulsion device and the operation of the RPA. Each type of plasma has a RPA associated with it; i.e. a thermal RPA, a collimated RPA, and a high temperature RPA. Through the process of developing the thermal and collimated RPAs, the proper knowledge and experience has been gained to not only design a high temperature RPA for the plasma rocket, but to understand its operation, results, and uncertainty. After completing a literature search for, reading published papers on, and discussing the operation of the RPA with electric propulsion researchers, I applied the knowledge gained to the development of a RPA for thermal plasma. A design of a thermal RPA was made which compensates for a large Debye length and low ionized plasma. From this design a thermal RPA was constructed. It consists of an outer stainless steel casing, a phenolic insulator (outgases slightly), and stainless steel mesh for the voltage screens. From the experience and knowledge gained in the development of the thermal RPA, a RPA for collimated plasma was developed. A collimated RPA has been designed and constructed. It compensate for a smaller Debye length and much higher ionization than that existing in the thermal plasma. It is 17% of the size of the thermal RPA. A stainless steel casing shields the detector from impinging electrons and ions. An insulating material, epoxy resin, was utilized which has a negligible outgassing. This material can be molded in styrofoam and machined quite nicely. It is capable of withstanding moderately high temperatures. Attached to this resin insulator are inconel screens attached by silver plated copper wire to a voltage supply. All the work on the RPAs and thermal ion source, I performed in the University of Alabama in Huntsville's (UAH) engineering machine shop.

Karr, Gerald R.↗
DOE OSTI2025

Embedded random phase approximation for magnetic systems: H 2 dissociative adsorption on Fe(110)

The random phase approximation (RPA), a method for treating electron correlation, has been shown to be superior to standard density functional theory (DFT) approximations in numerous cases. However, the RPA’s computational cost is substantially higher than that of DFT, particularly restricting its application to extended surfaces. The recently introduced embedded RPA (emb-RPA) approach [Wei et al., J. Chem. Phys. 159(19), 194108 (2023)] reduces this computational cost by approximately two orders of magnitude. While previous applications of emb-RPA focused on non-spin-polarized systems, here we extend the approach to ferromagnetic ones. Unlike other embedded correlated wavefunction methods, such as embedded complete active space self-consistent field theory, emb-RPA is advantageous for spin-polarized systems because the RPA is compatible with unrestricted DFT solutions, which are eigenfunctions of the spin angular momentum operator S z but not the total spin-squared operator S 2 . By applying emb-RPA with specific magnetization constraints, we achieved a speedup of two to three orders of magnitude (one order when accounting for the one-time embedding potential optimization cost) with only small errors (∼50 meV) compared to full periodic RPA. Moreover, emb-RPA significantly reduces the over-binding errors of DFT approximations. In conclusion, we anticipate that the acceleration enabled by the spin-polarized emb-RPA approach will broaden the applicability of RPA to magnetic materials.

Density functional theory↗
DOE OSTI2025

Static Subspace Approximation for Random Phase Approximation Correlation Energies: Applications to Materials for Catalysis and Electrochemistry

Modeling complex materials using high-fidelity, ab initio methods at low cost is a fundamental goal for quantum chemical software packages. The GW approximation and random phase approximation (RPA) provide a unified description of both electronic structure and total energies using the same physics in a many-body perturbative approach that can be more accurate than generalized-gradient density functional theory (DFT) methods. However, GW/RPA implementations have historically been limited to either specific materials classes or application toward small chemical systems. Here, the static subspace approximation allows for reduced cost full-frequency GW/RPA calculations and has previously been benchmarked thoroughly for GW calculations. Here, we describe our approach to including partial occupations of electronic orbitals in full-frequency GW and RPA calculations for the study of electrocatalysts. We benchmarked RPA total energy calculations using the subspace approximation across a diverse test suite of materials for a variety of computational parameters. The benchmarking quantifies the impact of different extrapolation procedures for representing the static polarizability at infinite screened cutoff, and shows that using screened cutoffs above 20-25 Ryd result in diminishing accuracy returns for predicting RPA total energies. Additionally, for moderately sized electrocatalytic models, 2-3 times fewer computational resources are used to compute RPA total energies by representing the static polarizability with 20-30% of the static subspace basis, with an error of approximately 0.01 eV or better in RPA adsorption energy calculations. Finally, we show that for these electrochemical models RPA can shift DFT adsorption energy shifts by up to 0.5 eV and that GW can frequently shift DFT eigenvalues of surface and adsorbate states by approximately 0.5-1 eV.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1997

The Diagnostics of the External Plasma for the Plasma Rocket

The plasma rocket is located at NASA Johnson Space Center. To produce a thrust in space. an inert gas is ionized into a plasma and heated in the linear section of a tokamak fusion device to 1 x 10(exp 4) - 1.16 x 10(exp 6)K(p= 10(exp 10) - 10(exp 14)/cu cm ). The magnetic field used to contain the plasma has a magnitude of 2 - 10k Gauss. The plasma plume has a variable thrust and specific impulse. A high temperature retarding potential analyzer (RPA) is being developed to characterize the plasma in the plume and at the edge of the magnetically contained plasma. The RPA measures the energy and density of ions or electrons entering into its solid angle of collection. An oscilloscope displays the ion flux versus the collected current. All measurements are made relative to the facility ground. A RPA is being developed in a process which involves the investigation of several prototypes. The first prototype has been tested on a thermal plasma. The knowledge gained from its development and testing were applied to the development of a RPA for collimated plasma. The prototypes consist of four equally spaced grids and an ion collector. The outermost grid is a ground. The second grid acts as a bias to repel electrons. The third is a variable v voltage ion suppressor. Grid four (inner grid) acts to repel secondary electrons, being biased equal to the first. Knowledge gained during these two stages are being applied to the development of a high temperature RPA Testing of this device involves the determination of its output parameters. sensitivity, and responses to a wide range of energies and densities. Each grid will be tested individually by changing only its voltage and observing the output from the RPA. To verify that the RPA is providing proper output. it is compared to the output from a Langmuir or Faraday probe.

Karr, Gerald R.↗
NASA NTRS1987

The Giotto electron plasma experiment

The RPA-Copernic experiment aboard Giotto is described. The experiment is designed to measure the three-dimensional distributions of electrons between 10 eV and 30 keV (by the RPA-1 EESA spectrometer) and the composition and distribution, close to the comet, of thermal positive ions in the mass range 10-213 amu (by the RPA-2 PICCA electrostatic mass analyzer). Three microprocessors interface RPA-1 EESA with RPA-2 PICCA and with the spacecraft and perform extensive onboard data processing. The experiment was operated successfully aboard the spacecraft in September 1985 during the encounter of Giotto with the comet Halley. The results provided by the EESA-1 indicate that the solar wind interaction with the comet Halley forms a well-defined bow shock with features quite different from the features of the comet Giacobini-Zinner bow shock; the data also showed a presence of accelerated keV electrons at the cometary bow shock, upstream and in the transition region.

Reme, H.↗
NASA NTRSDate not supplied

Impact of Latency and Reliability on Separation Assurance with Remotely Piloted Aircraft in Terminal Operations

Remotely Piloted Aircraft (RPA) for cargo operations in the national airspace system will impact safety due to, among other factors, the latency and reliability of command & control, and of communication. This paper investigates the safety impact with increasing mix of RPA amidst manned traffic in a generic arrival pattern with three merging flows. Latency was modelled as the response time between air traffic control's determination of a resolution and the RPAs' initiation of the maneuver. Reliability was modelled as a message drop probability. The experiment was repeated with two different aircraft types having different performance characteristics as representatives of RPA for conducting automated cargo operations. Overall response time above thirty seconds and message drop probability over twenty percent caused losses of separation. Specific results depended on the RPA aircraft type. The detailed impacts of latency and reliability with increasing mix of RPA traffic are provided. Applications of the approach for further studies at increasing levels of automation are also discussed.

Vishwanath Bulusu↗
NASA NTRS2022

Impact of Latency and Reliability on Separation Assurance with Remotely Piloted Aircraft in Terminal Operations

Remotely Piloted Aircraft (RPA) for cargo operations in the national airspace system will impact safety due to, among other factors, the latency and reliability of command & control, and of communication. This paper investigates the safety impact with increasing mix of RPA amidst manned traffic in a generic arrival pattern with three merging flows. Latency was modelled as the response time between air traffic control's determination of a resolution and the RPAs' initiation of the maneuver. Reliability was modelled as a message drop probability. The experiment was repeated with two different aircraft types having different performance characteristics as representatives of RPA for conducting automated cargo operations. Overall response time above thirty seconds and message drop probability over twenty percent caused losses of separation. Specific results depended on the RPA aircraft type. The detailed impacts of latency and reliability with increasing mix of RPA traffic are provided. Applications of the approach for further studies at increasing levels of automation are also discussed.

Vishwanath Bulusu↗
DOE OSTI2024

Static Subspace Approximation for Random Phase Approximation Correlation Energies: Implementation and Performance

Developing theoretical understanding of complex reactions and processes at interfaces requires using methods that go beyond semilocal density functional theory to accurately describe the interactions between solvent, reactants and substrates. Methods based on many-body perturbation theory, such as the random phase approximation (RPA), have previously been limited due to their computational complexity. However, this is now a surmountable barrier due to the advances in computational power available, in particular through modern GPU-based supercomputers. In this work, we describe the implementation of RPA calculations within BerkeleyGW and show its favorable computational performance on large complex systems relevant for catalysis and electrochemistry applications. Our implementation builds off of the static subspace approximation which, by employing a compressed representation of the frequency dependent polarizability, enables the evaluation of the RPA correlation energy with significant acceleration and systematically controllable accuracy. We find that the computational cost of calculating the RPA correlation energy scales only linearly with system size for systems containing up to 50 thousand bands, and is expected to scale quadratically thereafter. We also show excellent strong scaling results across several supercomputers, demonstrating the performance and portability of this implementation.

algorithmic development↗
DOE OSTI2026

Optimization of Random Phase Approximation Calculations for Improved Energies of Molecules, Solids, and Surfaces

We present an optimized random phase approximation method (optRPA26) that significantly improves upon conventional RPA through an optimized choice of reference orbitals and energy components, rather than a modification of the RPA correlation functional itself. The method employs an empirically constructed hybrid functional to generate DFT orbitals to evaluate the RPA correlation energy, which is then scaled by a constant. Comprehensive benchmarks across molecules, bulk solids, and surface systems demonstrate that optRPA26 consistently achieves high accuracy, with mean absolute errors of 0.05 eV for W4-11-RE reaction energies, 0.07 eV for cohesive energies, 0.09 eV for metal oxide formation energies, 0.11–0.12 eV for adsorption of small molecules on metals, and 0.06 eV for adsorption on oxides. In addition, optRPA26 correctly captures phase stability in metal oxides and magnetic metals. The optRPA26 approach can be run using standard RPA implementations, highlighting its potential as a general-purpose reference method that can accurately capture covalent, ionic, metallic, and van der Waals bonding in molecules, solids, and interfaces.

Adsorption↗
NASA NTRS1975

Effect of grid transparency and finite collector size on determining ion temperature and density by the retarding potential analyzer

The effects of the grid transparency and finite collector size on the values of thermal ion density and temperature determined by the standard RPA (retarding potential analyzer) analysis method are investigated. The current-voltage curves calculated for varying RPA parameters and a given ion mass, temperature, and density are analyzed by the standard RPA method. It is found that only small errors in temperature and density are introduced for an RPA with typical dimensions, and that even when the density error is substantial for nontypical dimensions, the temperature error remains minimum.

Troy, B. E., Jr.↗