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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
NASA NTRS2018

Resolution of a Reflector Shroud Fatigue Failure

Two cracks were observed on a reflector shroud for a space program after previously being subjected to the protoflight test campaign and several regression tests. After extensive analysis and investigations, the failure mechanism was identified to be fatigue as a result of the numerous vibration tests imposed on the unit. Two feasible corrective actions were proposed: first, a notched vibration profile which possesses sufficient margin from the anticipated acoustic and launch loads, while maintaining adequate fatigue life through launch and on-orbit operations, and second, a re-design of the shroud to strengthen the fatigue-susceptible areas. In this paper, we present the inspections, testing, and analysis performed to establish that the cracks were a result of fatigue failure. We discuss the conservative fatigue analysis methodology used in the development of both corrective action options. Finally, we review the lessons learned and the actions incorporated into the rework, subsequent regression testing, and the test plans to minimize the risk of recurrence in future units.

response limiting↗
NASA NTRS2021

Orbit Determination for the Mars 2020 Mission

NASA’s Mars 2020 Mission successfully executed its Martian entry, descent, and landing sequence on February 18, 2021. Spacecraft navigation guided the spacecraft from its launch injection to entry into the Martian atmosphere; to do so, three trajectory correction maneuvers and two onboard state updates were performed. Navigation was required to provide an entry state with a maximum uncertainty of 2.8 km in position and 2.0 m/sec in velocity (3-σ); the flight performance was approximately 900 m and 66 cm/sec (3-σ). This paper presents the orbit determination models, measurements, filter strategies and performance throughout launch, cruise and Mars approach.

Wong, Mau↗
NASA NTRS1971

Calibration of propulsion simulation nozzles for space shuttle booster and orbiter models for the abort/separation staging experimental program

An experimental program to determine the power-on aerodynamic flight characteristics of the booster and orbiter vehicles during the abort separation maneuver is reported. An essential contribution to such a test program is the gas dynamic simulation of the size and shape of the plumes emitting from the full-scale orbiter and booster main propulsion systems. The two major effects of the plume which must be simulated are: the interaction of the plume with the external flow field, and the direct impingement of the plumes on surfaces which are enveloped by the plume. To accomplish the objective of correct plume simulation, the similarity parameters developed by Herron and the requirement to match momentum flux per unit area between the model and the full-scale systems, were applied to the orbiter and booster propulsion systems.

Baker, L. R., Jr.↗
DOE OSTI2017

FIRST BEAM TESTS OF THE APS MBA UPGRADE ORBIT FEEDBACK CONTROLLER

The new orbit feedback system required for the APS multi-bend acromat (MBA) ring must meet challenging beam stability requirements. The AC stability requirement is to correct rms beam motion to 10 % the rms beam size at the insertion device source points from 0.01 to 1000 Hz. The vertical plane represents the biggest challenge for AC stability which is required to be 400 nm rms for a 4 micron vertical beam size. In addition long term drift over a period of 7 days is required to be 1 micron or less at insertion de- vice BPMs and 2 microns for arc bpms. We present test re- sults of theMBA prototype orbit feedback controller (FBC) in the APS storage ring. In this test, four insertion device BPMs were configured to send data to the FBC for process- ing into four fast corrector setpoints. The configuration of four bpms and four fast correctors creates a 4-bump and the configuration of fast correctors is similar to what will be implemented in the MBA ring. We report on performance benefits of increasing the sampling rate by a factor of 15 to 22.6 kHz over the existing APS orbit feedback system, lim- itations due to existing storage ring hardware and extrapo- lation to theMBA orbit feedback design. FBC architecture, signal flow and processing design will also be discussed.

Sereno, N. S.↗
NASA NTRS1991

The gravitomagnetic interaction and its relationship to other relativistic gravitational effects

To better understand the relationship between the expected precession rates of an orbiting gyroscope (GP-B) and other observable consequences in the solar system of relativistic, post-Newtonian gravity, a phenomenological model was developed of post-Newtonian gravity which presupposes the very minimum possible concerning the nature and foundations of the gravitational interaction. Solar system observations, chiefly interplanetary ranging, fix all the parameters in the phenomenological model to various levels of precision. This permits prediction of gyroscope precession rates to better than 10 pct. accuracy. A number of new precession terms are calculated which would exist if gravity were not a metric field phenomenon, but this would clash with other empirical observations of post-Newtonian effects in gravity. It is shown that gravitomagnetism, the post-Newtonian gravitational corrections to the interactions between moving matter, plays a ubiquitous role in determining a wide variety of gravitational effects, including the precession of orbiting gyroscopes.

Nordtvedt, Kenneth↗
DOE OSTI2016

Monte Carlo explicitly correlated second-order many-body perturbation theory

A stochastic algorithm is proposed and implemented that computes a basis-set-incompleteness (F12) correction to an ab initio second-order many-body perturbation energy as a short sum of 6- to 15-dimensional integrals of Gaussian-type orbitals, an explicit function of the electron-electron distance (geminal), and its associated excitation amplitudes held fixed at the values suggested by Ten-no. The integrals are directly evaluated (without a resolution-of-the-identity approximation or an auxiliary basis set) by the Metropolis Monte Carlo method. Applications of this method to 17 molecular correlation energies and 12 gas-phase reaction energies reveal that both the nonvariational and variational formulas for the correction give reliable correlation energies (98% or higher) and reaction energies (within 2 kJ mol -1 with a smaller statistical uncertainty) near the complete-basis-set limits by using just the aug-cc-pVDZ basis set. The nonvariational formula is found to be 2–10 times less expensive to evaluate than the variational one, though the latter yields energies that are bounded from below and is, therefore, slightly but systematically more accurate for energy differences. Being capable of using virtually any geminal form, the method confirms the best overall performance of the Slater-type geminal among 6 forms satisfying the same cusp conditions. Lastly, not having to precompute lower-dimensional integrals analytically, to store them on disk, or to transform them in a nonscalable dense-matrix-multiplication algorithm, the method scales favorably with both system size and computer size; the cost increases only as O(n 4 ) with the number of orbitals (n), and its parallel efficiency reaches 99.9% of the ideal case on going from 16 to 4096 computer processors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

A bulk adjusted linear combination of atomic orbitals (BA-LCAO) approach for nanoparticles

We describe a bulk adjusted linear combination of atomic orbitals (BA-LCAO) approach for nanoparticles. In this method, we apply a many-body scaling function (in similar manner as in the environment-modified total energy based tight-binding method) to the DFT-derived diatomic AO interaction potentials (like in the conventional orbital-based density-functional tight binding approach) strictly according to atomic valences acquired naturally in a bulk structure. This modification, (a) facilitates all atom orbital-based electronic structure calculations of charge carrier dynamics in nanoscale structures with a molecular acceptor, and (b) allows to closely match high-level density functional calculation data (previously adjusted to the available experimental findings) for bulk structures. To advance practical application of the BA-LCAO approach we parameterize the Hamiltonian of wurtzite CdSe by fitting its band structure to a high-level DFT reference, corrected for experimentally measured band edges. Here, unlike in conventional DFTB approach, we: (1) use hydrogen-like AOs for the basis as exact atomic eigenfunctions, while orbital energies of which are taken from experimentally measured ionization potentials, and (2) parameterize the many-body scaling functions rather than the atomic wavefunctions. Development of this approach and parameters is guided by our aim to devise a method capable of simultaneously treating the problems of (i) interfacial electron/hole transfer between finite, variable size nanoparticles and electron scavenging molecules, and (ii) high-energy electronic transitions (Auger transitions) that mediate multi-exciton decay in quantum dots. Electronic structure results are described for CdSe quantum dots of various sizes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Calibrating Optical Distortions in the Solar Orbiter SPICE Spectrograph

The Spectral Imaging of the Coronal Environment (SPICE) instrument on Solar Orbiter is a high-resolution imaging spectrometer operating at extreme ultraviolet (EUV) wavelengths from 70.4-79.0 nm and 97.3-104.9 nm. A single-mirror off-axis paraboloid focuses the solar image onto the entrance slit of the spectrometer section. A Toroidal Variable Line Space (TVLS) grating images the entrance slit onto a pair of MCP-intensified APS detectors. Ray-tracing analysis prior to launch showed that the instrument was subject to a number of small image distortions which need to be corrected in the final data product. We compare the ray tracing results with measurements made in flight. Co-alignment with other telescopes on Solar Orbiter will also be examined.

Therese Ann Kucera↗
DOE OSTI2016

TERRESTRIAL PLANET FORMATION FROM AN ANNULUS

It has been shown that some aspects of the terrestrial planets can be explained, particularly the Earth/Mars mass ratio, when they form from a truncated disk with an outer edge near 1.0 au. This has been previously modeled starting from an intermediate stage of growth utilizing pre-formed planetary embryos. We present simulations that were designed to test this idea by following the growth process from km-sized objects located between 0.7 and 1.0 au up to terrestrial planets. The simulations explore initial conditions where the solids in the disk are planetesimals with radii initially between 3 and 300 km, alternately including effects from a dissipating gaseous solar nebula and collisional fragmentation. We use a new Lagrangian code known as LIPAD, which is a particle-based code that models the fragmentation, accretion, and dynamical evolution of a large number of planetesimals, and can model the entire growth process from km-sizes up to planets. A suite of large (∼ Mars mass) planetary embryos is complete in only ∼1 Myr, containing most of the system mass. A quiescent period then persists for 10–20 Myr characterized by slow diffusion of the orbits and continued accretion of the remaining planetesimals. This is interrupted by an instability that leads to embryos crossing orbits and embryo–embryo impacts that eventually produce the final set of planets. While this evolution is different than that found in other works exploring an annulus, the final planetary systems are similar, with roughly the correct number of planets and good Mars-analogs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Downward quantum learning from element 118: Automated generation of Fermi–Löwdin orbitals for all atoms

A new algorithm based on a rigorous theorem and quantum data computationally mined from element 118 guarantees automated construction of initial Fermi–Löwdin-Orbital (FLO) starting points for all elements in the Periodic Table. It defines a means for constructing a small library of scalable FLOs for universal use in molecular and solid-state calculations. The method can be systematically improved for greater efficiency and for applications to excited states such as x-ray excitations and optically silent excitations. FLOs were introduced to recast the Perdew–Zunger self-interaction correction (PZSIC) into an explicit unitarily invariant form. The FLOs are generated from a set of N quasi-classical electron positions, referred to as Fermi-Orbital descriptors (FODs), and a set of N-orthonormal single-electron orbitals. FOD positions, when optimized, minimize the PZSIC total energy. However, creating sets of starting FODs that lead to a positive definite Fermi orbital overlap matrix has proven to be challenging for systems composed of open-shell atoms and ions. The proof herein guarantees the existence of a FLOSIC solution and further guarantees that if a solution for N electrons is found, it can be used to generate a minimum of N – 1 and a maximum of 2 N – 2 initial starting points for systems composed of a smaller number of electrons. As a result, applications to heavy and super-heavy atoms are presented. All starting solutions reported here were obtained from a solution for element 118, Oganesson.

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

Benchmark relativistic delta-coupled-cluster calculations of K-edge core-ionization energies of third-row elements

Here a benchmark computational study of K-edge core-ionization energies of third-row elements using relativistic delta-coupled-cluster (ΔCC) methods and a revised core-valence separation (CVS) scheme is reported. High-level relativistic (HLR) corrections beyond the spin-free exact two-component theory in its one-electron variant (SFX2C-1e), including the contributions from two-electron picture-change effects, spin–orbit coupling, the Breit term, and quantum electrodynamics effects, have been taken into account and demonstrated to play an important role. Relativistic ΔCC calculations are shown to provide accurate results for core-ionization energies of third-row elements. The SFX2C-1e-CVS-ΔCC results augmented with HLR corrections show a maximum deviation of less than 0.5 eV with respect to experimental values.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Exploring the role of electronic structure on photo-catalytic behavior of carbon-nitride polymorphs

A fully self-consistent density-functional theory (DFT) with improved functionals is used herein to provide a comprehensive account of structural, electronic, and optical properties of C 3 N 4 polymorphs. Using our recently developed van Leeuwen-Baerends (vLB) corrected local-density approximation (LDA), we implemented LDA + vLB within full-potential N th -order muffin-tin orbital (FP-NMTO) method and show that it improves structural properties and band gaps compared to semi-local functionals (LDA/GGA). We demonstrate that the LDA + vLB predicts band-structure and work-function for well-studied 2D-graphene and bulk-Si in very good agreement with experiments, and more exact hybrid functional (HSE) calculations as implemented in the Quantum-Espresso (QE) package. The structural and electronic-structure (band gap) properties of C 3 N 4 polymorphs calculated using FP-NMTO-LDA + vLB is compared with more sophisticated hybrid-functional calculations. We also perform detailed investigation of photocatalytic behavior using QE-HSE method of C 3 N 4 polymorphs through work-function, band (valence and conduction) position with respect to water reduction and oxidation potential. Our results show $γ$-C 3 N 4 as the best candidate for photocatalysis among all the C 3 N 4 polymorphs but it is dynamically unstable at ‘zero’ pressure. We show that $γ$-C 3 N 4 can be stabilized under hydrostatic-pressure, which improves its photocatalytic behavior relative to water reduction and oxidation potentials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Advances in Quantum Defect Embedding Theory

Quantum defect embedding theory (QDET) is a many-body embedding method designed to describe condensed systems with strongly correlated electrons localized within a given region of space, for example spin defects in semiconductors and insulators. Although the QDET approach has been successful in predicting the electronic properties of several point defects, several limitations of the method remain. Here, in this work, we propose multiple advances to the QDET formalism. We derive a doublecounting correction that consistently treats the frequency dependence of the screened Coulomb interaction, and we illustrate the effect of including unoccupied orbitals in the active space. In addition, we propose a method to describe hybridization effects between the active space and the environment, and we compare the results of several impurity solvers, providing further insights into improving the reliability and applicability of the method. We present results for defects in diamond and for molecular qubits, including a detailed comparison with experiments.

Chen, Siyuan [University of Chicago, IL (United St↗
NASA NTRS1976

The partially averaged field approach to cosmic ray diffusion

The kinetic equation for particles interacting with turbulent fluctuations is derived by a new nonlinear technique which successfully corrects the difficulties associated with quasilinear theory. In this new method the effects of the fluctuations are evaluated along particle orbits which themselves include the effects of a statistically averaged subset of the possible configurations of the turbulence. The new method is illustrated by calculating the pitch angle diffusion coefficient D sub Mu Mu for particles interacting with slab model magnetic turbulence, i.e., magnetic fluctuations linearly polarized transverse to a mean magnetic field. Results are compared with those of quasilinear theory and also with those of Monte Carlo calculations. The major effect of the nonlinear treatment in this illustration is the determination of D sub Mu Mu in the vicinity of 90 deg pitch angles where quasilinear theory breaks down. The spatial diffusion coefficient parallel to a mean magnetic field is evaluated using D sub Mu Mu as calculated by this technique. It is argued that the partially averaged field method is not limited to small amplitude fluctuating fields and is hence not a perturbation theory.

Jones, F. C.↗
NASA NTRS1982

Navigation system design for a Halley sample return mission

A ballistic sample return mission to Comet Halley was recently considered by the United States. This paper describes the navigation system and the navigation strategy which would have been employed in such a mission, assuming a launch in August of 1985, an arrival at the comet in March of 1986, and a return to earth in August of 1989. Estimates of spacecraft comet- and earth-relative orbit determination accuracies are presented as functions of time. Target-relative delivery accuracies for the spacecraft and associated trajectory correction maneuver requirements are presented also.

Wood, L. J.↗
NASA NTRS1982

Analyses of Shuttle Orbiter approach and landing

A study of the Shuttle Orbiter approach and landing conditions is summarized. The causes of observed PIO-like flight deficiencies are listed, and possible corrective measures are examined. Closed-loop pilot/vehicle analyses are described, and a description is given of path-attitude stability boundaries. The latter novel approach is found to be of great value in delineating and illustrating the basic causes of this multiloop pilot control problem. It is shown that the analytical results are consistent with flight test and fixed-base simulation. Conclusions are drawn concerning possible improvements in the Shuttle Orbiter/Digital Flight Control System.

Ashkenas, I. L.↗
NASA NTRS1984

Multiple spacecraft Michelson stellar interferometer

Results of an orbital analysis and performance assessment of SAMSI (Spacecraft Array for Michelson Spatial Interferometry) are presented. The device considered includes two one-meter telescopes in orbits which are identical except for slightly different inclinations; the telescopes achieve separations as large as 10 km and relay starlight to a central station which has a one-meter optical delay line in one interferometer arm. It is shown that a 1000-km altitude, zero mean inclination orbit affords natural scanning of the 10-km baseline with departures from optical pathlength equality which are well within the corrective capacity of the optical delay line. Electric propulsion is completely adequate to provide the required spacecraft motions, principally those needed for repointing. Resolution of 0.00001 arcsec and magnitude limits of 15 to 20 are achievable.

Stachnik, R. V.↗
NASA NTRS1987

Residual motions caused by micro-gravitational accelerations

It is shown here that, under certain conditions, the low-frequency accelerations on experiments being performed aboard orbiting spacecraft due to gravity gradient, atmospheric drag, and spacecraft attitude or orientation can cause sustained fluid motions which require correction by advanced mass compensation techniques. The gravity gradient tensor is derived, and an expression for the difference between the absolute accelerations of a free particle and the mass center of the spacecraft is obtained. A model for the variation of atmospheric density with altitude is discussed, the equations governing the relative motion of a drag-free particle with respect to the mass center of the spacecraft are presented, and analytical and numerical solutions are obtained. Two possible spacecraft altitudes are considered. The problem of the Stokes motion of a sphere immersed in a viscous fluid is examined. Results are presented for the motion of a steel ball in water and for a triglycine sulfate crystal freely suspended in solution.

Alexander, J. Iwan D.↗