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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS2019

Hybrid chemical-electric trajectories for a Mars Sample Return orbiter

The Earth return orbiter component of a Mars sample return campaign is a high total impulse mission with challenging timeline constraints. These competing demands mean a hybrid chemical-electric propulsion architecture may be needed for a feasible design, with chemical propulsion providing timely impulse and electric propulsion providing high volume impulse. We describe an approach to map out the hybrid trajectory design space and create a database to use in conjunction with a spacecraft design tool, enabling co-optimization of trajectory and spacecraft. This method is applied to both the outbound and inbound legs of a Mars sample return mission concept.

Lock, Rob↗
NASA NTRS2016

Performance Investigation of a Full-Scale Hybrid Composite Bull Gear

Hybrid composite gears have been investigated as a weight saving technology for rotorcraft transmissions. These gears differ from conventional steel gears in that the structural material between the shaft interface and the gear rim is replaced with a lightweight carbon fiber composite. The work discussed here is an extension of previous coupon level hybrid gear tests to a full-scale bull gear. The NASA Glenn Research Center High-Speed Helical Gear Rig was modified for this program, allowing several hybrid gear web configurations to be tested while utilizing the same gear rim. Testing was performed on both a baseline (steel) web configuration and a hybrid (steel-composite) configuration. Vibration, orbit and temperature data were recorded and compared between configurations. Vibration levels did not differ greatly between the hybrid and steel configurations, nor did temperature differential between inlet and outlet. While orbit shape displayed differences between the hybrid and baseline configurations, the general overall amplitude was comparable. The hybrid configuration discussed here successfully ran at 3300 hp (2,460 kW), however, progressive growth of the orbit while running at this test condition discontinued the test. Further studies are planned to determine the cause of this behavior.

Gears↗
NASA NTRS2016

Performance Investigation of a Full-Scale Hybrid Composite Bull Gear

Hybrid composite gears have been investigated as a weight saving technology for rotorcraft transmissions. These gears differ from conventional steel gears in that the structural material between the shaft interface and the gear rim is replaced with a lightweight carbon fiber composite. The work discussed here is an extension of previous coupon level hybrid gear tests to a full-scale bull gear. The NASA Glenn Research Center High-Speed Helical Gear Rig was modified for this program allowing several hybrid gear web configurations to be tested while utilizing the same gear rim. Testing was performed on both a baseline (steel) web configuration and a hybrid (steel-composite)configuration. Vibration, orbit and temperature data were recorded and compared between configurations. Vibration levels did not differ greatly between the hybrid and steel configurations, nor did temperature differential between inlet and outlet. While orbit shape displayed differences between the hybrid and baseline configurations, the general overall amplitude was comparable. The hybrid configuration discussed here successfully ran at 3300 hp(2,460 kW), however, progressive growth of the orbit while running at this test condition discontinued the test. Researchers continue to search for the cause of this orbit shift.

Transmissions↗
DOE OSTI2022

Interaction-expansion inchworm Monte Carlo solver for lattice and impurity models

Multiorbital quantum impurity models with general interaction and hybridization terms appear in a wide range of applications, including embedding, quantum transport, and nanoscience. However, most quantum impurity solvers are restricted to a few impurity orbitals, discretized baths, diagonal hybridizations, or density-density interactions. We generalize the inchworm quantum Monte Carlo method to the interaction expansion, and we explore its application to typical single- and multiorbital problems encountered in investigations of impurity and lattice models. Our implementation generically outperforms bare and bold-line quantum Monte Carlo algorithms in the interaction expansion. For the systems studied here, our implementation remains inferior to the more specialized hybridization expansion and auxiliary field algorithms. So, the problem of convergence to unphysical fixed points, which hampers so-called bold-line methods, is not encountered in inchworm Monte Carlo.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Molecular orbital projectors in non-empirical jmDFT recover exact conditions in transition-metal chemistry

Low-cost, non-empirical corrections to semi-local density functional theory are essential for accurately modeling transition-metal chemistry. Here, we demonstrate the judiciously modified density functional theory (jmDFT) approach with non-empirical U and J parameters obtained directly from frontier orbital energetics on a series of transition-metal complexes. We curate a set of nine representative Ti(III) and V(IV) d 1 transition-metal complexes and evaluate their flat-plane errors along the fractional spin and charge lines. We demonstrate that while jmDFT improves upon both DFT+U and semi-local DFT with the standard atomic orbital projectors (AOPs), it does so inefficiently. We rationalize these inefficiencies by quantifying hybridization in the relevant frontier orbitals. To overcome these limitations, we introduce a procedure for computing a molecular orbital projector (MOP) basis for use with jmDFT. We demonstrate this single set of d 1 MOPs to be suitable for nearly eliminating all energetic delocalization and static correlation errors. In all cases, MOP jmDFT outperforms AOP jmDFT, and it eliminates most flat-plane errors at non-empirical values. Unlike DFT+U or hybrid functionals, jmDFT nearly eliminates energetic delocalization and static correlation errors within a non-empirical framework.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2004

Hybrid Particle-Element Simulation of Impact on Composite Orbital Debris Shields

This report describes the development of new numerical methods and new constitutive models for the simulation of hypervelocity impact effects on spacecraft. The research has included parallel implementation of the numerical methods and material models developed under the project. Validation work has included both one dimensional simulations, for comparison with exact solutions, and three dimensional simulations of published hypervelocity impact experiments. The validated formulations have been applied to simulate impact effects in a velocity and kinetic energy regime outside the capabilities of current experimental methods. The research results presented here allow for the expanded use of numerical simulation, as a complement to experimental work, in future design of spacecraft for hypervelocity impact effects.

Fahrenthold, Eric P.↗
DOE OSTI2024

Self-consistent quasiparticle G W and hybrid functional calculations for Al/InAs/Al heterojunctions: Band offset and spin-orbit coupling effects

The electronic structure of surfaces and interfaces plays a key role in the properties of quantum devices. Here, we study the electronic structure of realistic Al/InAs/Al heterojunctions using a combination of density functional theory with hybrid functionals and state-of-the-art quasiparticle G W (QSGW) calculations. We find a good agreement between QSGW calculations and hybrid functional calculations, which themselves compare favorably well with angle-resolved photoemission spectroscopy experiments. Our paper confirms the need for well-controlled quality of the interfaces to obtain the needed properties of InAs/Al heterojunctions. A detailed analysis of the effects of spin-orbit coupling on the spin splitting of the electronic states shows a linear scaling in k space, related to the two-dimensional nature of some interface states. The good agreement by QSGW and hybrid functional calculations opens the door towards trustable use of an effective approximation to QSGW for studying very large heterojunctions. Published by the American Physical Society 2024

36 MATERIALS SCIENCE↗
DOE OSTI2023

Incommensurate Spiral Spin Order in CaMn 2 Bi 2 Observed via High-Pressure Neutron Diffraction

Here, high-pressure neutron diffraction is employed to investigate the magnetic behavior of CaMn 2 Bi 2 in extreme conditions. In contrast to antiferromagnetic ordering on Mn atoms reported at ambient pressure, our results reveal that at high pressure, incommensurate spiral spin order emerges due to the interplay between magnetism on the Mn atoms and strong spin–orbit coupling on the Bi atoms: sinusoidal spin order is observed at pressures as high as 7.4 GPa. First-principles calculations with a noncollinear spin orientation demonstrate band crossing behavior near the Fermi level as a result of strong hybridization between the d orbitals of Mn and the p orbitals of Bi atoms. Competing antiferromagnetic order is observed at different temperatures in the partially frustrated lattice. Theoretical models have been developed to investigate spin dynamics. This research provides a unique toolbox for conducting experimental and theoretical magnetic and spin dynamics studies of magnetic quantum materials via high-pressure neutron diffraction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2018

Hybrid Additive Manufacturing Deposition and Selective Laser Melting Techniques Applied to Copper-Alloy Liquid Rocket Engine Combustion Chambers

Virgin Orbit and the NASA Marshall Space Flight Center have partnered to fabricate a small, multi-metallic, regeneratively cooled thrust chamber by leveraging the strengths of two different types of additive manufacturing: Direct Metal Laser Sintering (DMLS) for the copper alloy liner and blown powder Directed Energy Deposition (DED) for the Inconel structural jacket. The DED is being developed using Virgin Orbit's DMG Mori Seiki hybrid additive/subtractive machining center to further enable unique processing and further cost savings. The materials chosen are preferred for high performance thrust chamber applications, representing a significant advancement from the compromises typically made in the production of metal 3D printed thrust chambers for rocket engines. The 1.2K-lbf thrust article is a 16" tall, 3" diameter design modified for this effort to be regeneratively cooled with water and hot fired using a RP-1/LOX pintle-style development injector from Virgin Orbit's NewtonFour upper stage engine. The thrust chamber was tested at Virgin Orbit's Necker test site in Mojave, California. Results from this test campaign are reported in addition to information characterizing the liner, jacket, and bimetallic diffusion layer materials. This paper will also highlight some of the future bimetallic thrust chamber developments that MSFC and Virgin Orbit will complete under a recently awarded NASA contract.

Zagorski, Kevin↗
NASA NTRS1986

Mars lander survey

The requirements, issues, and design options are reviewed for manned Mars landers. Issues such as high 1/d versus low 1/d shape, parking orbit, and use of a small Mars orbit transfer vehicle to move the lander from orbit to orbit are addressed. Plots of lander mass as a function of Isp, destination orbit, and cargo up and down, plots of initial stack mass in low Earth orbit as a function of lander mass and parking orbit, detailed weight statements, and delta V tables for a variety of options are included. Lander options include a range from minimum landers up to a single stage reusable design. Mission options include conjunction and Venus flyby trajectories using all-cryogenic, hybrid, NERVA, and Mars orbit aerobraking propulsion concepts.

William R Stump↗
DOE OSTI2022

Quantum Orbital Minimization Method for Excited States Calculation on a Quantum Computer

Herein we propose a quantum-classical hybrid variational algorithm, the quantum orbital minimization method (qOMM), for obtaining the ground state and low-lying excited states of a Hermitian operator. Given parametrized ansatz circuits representing eigenstates, qOMM implements quantum circuits to represent the objective function in the orbital minimization method and adopts a classical optimizer to minimize the objective function with respect to the parameters in ansatz circuits. The objective function has an orthogonality constraint implicitly embedded, which allows qOMM to apply a different ansatz circuit to each input reference state. We carry out numerical simulations that seek to find excited states of H 2 , LiH, and a toy model consisting of four hydrogen atoms arranged in a square lattice in the STO-3G basis with UCCSD ansatz circuits. Comparing the numerical results with existing excited states methods, qOMM is less prone to getting stuck in local minima and can achieve convergence with more shallow ansatz circuits.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

ThAu 2 – , ThAu 2 O – , and ThAuOH – anions: Photoelectron spectroscopic and theoretical characterization

The thorium–gold negative ions ThAu 2 – , ThAu 2 O – , and ThAuOH – have been observed and experimentally characterized by anion photoelectron spectroscopy. These experiments are accompanied by extensive ab initio electronic structure calculations using a relativistic composite methodology based primarily on coupled cluster singles and doubles with perturbative triples calculations. The theoretical electron affinities (EAs) at 0 K agree with the experimental adiabatic EAs to within 0.02 eV for all species. Two separate isomers were located in the calculations for ThAuOH – , and detachment from both of these appears to be present in the photoelectron spectrum. Excited electronic states of the neutral molecules are reported at the equation of motion-coupled cluster singles and doubles level of theory. Atomization energies and heats of formation are also calculated for each neutral species and have expected uncertainties of 3 and 4 kcal/mol, respectively. The σ bonds between Th and Au are determined by natural bond orbital analysis to consist of predominately sd hybrids on Th bonding with the Au 6s orbital. In order to investigate the correspondence between the bonding in Th–Au and Th–F molecules, a limited number of calculations were also carried out on most of the F-analogs of this study. These results demonstrate that Au does behave like F in these cases, although the Th–F σ bonds are much more ionic compared to Th–Au. This results in an EA for ThF 2 that is 10 kcal/mol smaller than that of ThAu 2 . The EA values for the Th(IV) species, i.e., ThX 2 O and ThXOH, only differed, however, by 3–4 kcal/mol.

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

Disentangling the role of bond lengths and orbital symmetries in controlling $T_c$ of optimally doped YBa 2 Cu 3 O 7

Optimally doped YBa 2 Cu 3 O 7 (YBCO) has a high critical temperature, at 92 K. It is largely believed that Cooper pairs form in YBCO and other cuprates because of spin fluctuations, but the issue and the detailed mechanism are far from settled. In the present work, we employ a state-of-the-art first-principles ability to compute both the low- and high-energy spin fluctuations in optimally doped YBCO. We benchmark our results against recent inelastic neutron scattering and resonant inelastic x-ray scattering measurements. Further, we use strain as an external parameter to modulate the spin fluctuations and superconductivity. We disentangle the roles of barium-apical oxygen hybridization, interlayer coupling, and orbital symmetries by applying an idealized strain, and also a strain with a fully relaxed structure. We show that shortening the distance between Cu layers is conducive to enhanced Fermi surface nesting, which increases spin fluctuations and drives up $T_c$. However, when the structure is fully relaxed, electrons flow to the $d_{z^2}$ orbital as a consequence of a shortened Ba-O bond, which is detrimental for superconductivity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2010

Hybrid Black-Hole Binary Initial Data

"Traditional black-hole binary puncture initial data is conformally flat. This unphysical assumption is coupled with a lack of radiation signature from the binary's past life. As a result, waveforms extracted from evolutions of this data display an abrupt jump. In Kelly et al. [Class. Quantum Grav. 27:114005 (2010)], a new binary black-hole initial data with radiation contents derived in the post-Newtonian (PN) calculations was adapted to puncture evolutions in numerical relativity. This data satisfies the constraint equations to the 2.5PN order, and contains a transverse-traceless "wavy" metric contribution, violating the standard assumption of conformal flatness. Although the evolution contained less spurious radiation, there were undesired features; the unphysical horizon mass loss and the large initial orbital eccentricity. Introducing a hybrid approach to the initial data evaluation, we significantly reduce these undesired features."

Mundim, Bruno C.↗
NASA NTRS1986

Gas ionization induced by a high speed plasma injection in space

Gas ionization induced by a fast plasma injection has been observed with the Space Experiments with Particle Accelerators (SEPAC) Experiment on Spacelab-1. When an impulsive high-density plasma was injected from the orbiter, waves near the lower-hybrid frequency were enhanced, and the surrounding gas drifting with the orbiter was ionized for several tens of milliseconds after the plasma injection. The long-duration gas ionization was observed only when the plasma flux incoming to the orbiter cargo bay and the orbital velocity perpendicular to the magnetic field were relatively large. This effect has been explained by the concept of critical velocity ionization (CVI) for the gas drifting with the orbiter, although the gas velocity perpendicular to the magnetic field was less than the Alfven critical velocity.

Sasaki, S.↗
NASA NTRS2004

Aerocapture Guidance Performance for the Neptune Orbiter

A performance evaluation of the Hybrid Predictor corrector Aerocapture Scheme (HYPAS) guidance algorithm for aerocapture at Neptune is presented in this paper for a Mission to Neptune and the Neptune moon Triton'. This mission has several challenges not experienced in previous aerocapture guidance assessments. These challengers are a very high Neptune arrival speed, atmospheric exit into a high energy orbit about Neptune, and a very high ballistic coefficient that results in a low altitude acceleration capability when combined with the aeroshell LD. The evaluation includes a definition of the entry corridor, a comparison to the theoretical optimum performance, and guidance responses to variations in atmospheric density, aerodynamic coefficients and flight path angle for various vehicle configurations (ballistic numbers). The benefits of utilizing angle-of-attack modulation in addition to bank angle modulation to improve flight performance is also discussed. The results show that despite large sensitivities in apoapsis targeting, the algorithm performs within the allocated AV budget for the Neptune mission bank angle only modulation. The addition of angle-of-attack modulation with as little as 5 degrees of amplitude significantly improves the scatter in final orbit apoapsis. Although the angle-of-attack modulation complicates the vehicle design, the performance enhancement reduces aerocapture risk and reduces the propellant consumption needed to reach the high energy target orbit for a conventional propulsion system.

Masciarelli, James P.↗
NASA NTRS1985

Solar powered hybrid sensor module program

Geo-orbital systems of the near future will require more sophisticated electronic and electromechanical monitoring and control systems than current satellite systems with an emphasis in the design on the electronic density and autonomy of the subsystem components. Results of a project to develop, design, and implement a proof-of-concept sensor system for space applications, with hybrids forming the active subsystem components are described. The design of the solar power hybrid sensor modules is discussed. Module construction and function are described. These modules combined low power CMOS electronics, GaAs solar cells, a crystal oscillatory standard UART data formatting, and a bidirectional optical data link into a single 1.25 x 1.25 x 0.25 inch hybrid package which has no need for electrical input or output. Several modules were built and tested. Applications of such a system for future space missions are also discussed.

Johnson, J. M.↗