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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
NASA NTRS2016

The Mars Reconnaissance Orbiter Mission: 10 Years of Exploration from Mars Orbit

The Mars Reconnaissance Orbiter (MRO) entered Mars orbit on March 10, 2006. After five months of aerobraking, a series of propulsive maneuvers were used to establish the desired low-altitude science orbit. The spacecraft has been on station in its 255 x 320 km, sun-synchronous (~3 am-pm), primary science orbit since September 2006 performing both scientific and Mars programmatic support functions. This paper will provide a summary of the major achievements of the mission to date and the major flight activities planned for the remainder of its third Extended Mission (EM3). Some of the major flight challenges the flight team has faced are also discussed.

MRO↗
NASA NTRS2018

Do Close-in Giant Planets Orbiting Evolved Stars Prefer Eccentric Orbits?

The NASA Kepler and K2 Missions have recently revealed a population of transiting giant planets orbiting moderately evolved, low-luminosity red giant branch stars. Here, we present radial velocity (RV) measurements of three of these systems, revealing significantly non-zero orbital eccentricities in each case. Comparing these systems with the known planet population suggests that close-in giant planets around evolved stars tend to have more eccentric orbits than those around main sequence stars. We interpret this as tentative evidence that the orbits of these planets pass through a transient, moderately eccentric phase where they shrink faster than they circularize due to tides raised on evolved host stars. Additional RV measurements of currently known systems, along with new systems discovered by the recently launched NASA Transiting Exoplanet Survey Satellite (TESS) mission, may constrain the timescale and mass dependence of this process.

Thomas Barclay↗
NASA NTRS2005

Atmosphere variability at Mars Reconnaissance Orbiter science orbit altitudes based on Mars Express Reconstructions

This paper describes the orbit reconstruction of Mars Express (MEX) with the specific goal of estimating the atmospheric density near periapsis and evaluating its variability and predictability. The desired outcome is to validate the covariance analysis assumption of atmospheric variability for the 2005 NASA Mars Reconnaissance Orbiter (MRO), as well as evaluate the accuracy of the density estimates output from the atmosphere model used by MRO. Topics covered include the MRO atmosphere model, MEX orbit determination and post-fit Doppler residuals, and atmosphere trending statistics gleaned from the orbit reconstructions.

Higas, Earl↗
NASA NTRS2021

On-Orbit Cryogenic Refueling: Potential Mission Benefits, Associated Orbital Mechanics, and Fuel Transfer Thermodynamic Modeling Efforts

The placement of cryogenic fuel/propellant depot stations in Earth orbit has the potential to transform the nature and operations for many types of spaceflight missions. Today, spaceflight missions are almost universally required to carry the entire amount of fuel required for the mission, for the entire duration of the mission, from the point of launch. This is the rough equivalent of making a drive from Ohio to California, requiring the traveler to bring along the total sum of gasoline required for the entire trip, without being able to ‘fill-up’ anywhere along the route. Obviously, this framework of travel greatly encumbers the breadth, scope, and efficiency of potential journeys. Cryogenic fuel/propellant depots have not been implemented because many technical, operational, and engineering challenges still exist. These must be overcome prior to the placement of usable on-orbit propellant depots. This thesis investigates three specific engineering challenges related to on-orbit propellant depots, and presents the current state, technological challenges, and ultimate benefits of on-orbit cryogenic refueling.

No vent fill↗
NASA NTRS2020

Low-energy Trajectories From Geosynchronous Transfer Orbits to Lunar Libration Orbits

The ability to reduce the cost of space missions beyond Earth orbit by leveraging innovative concepts is of great interest in the field of spaceflight. In this paper, the trajectory design for a mission from an inclined geosynchronous transfer orbit (GTO) to an Earth-Moon L2 Halo orbit is presented. The mission scenario for this investigation involves the use of a small satellite launched in a rideshare configuration and the use of a low-energy transfer to reach the target orbit. As a consequence of choosing a rideshare launch, the mission scenario entails critical uncertainties on the time of launch and injection parameters of the spacecraft, which could complicate the insertion into a low-energy transfer. Thus, the goal of the project is to develop a robust design methodology to deal with the launch uncertainties and assess launch readiness at any time of the year.

Wilson, Roby↗
NASA NTRS2021

Aerocapture Trajectories for Earth Orbit Technology Demonstration and Orbiter Science Missions at Venus, Earth, Mars, and Neptune

The use of aerocapture to provide the delta-V needed to capture a spacecraft into orbit can provide significant fuel savings compared to a propulsive orbit insertion. The aerocapture guidance method described in this paper uses drag modulation, which deploys a drag skirt in the atmosphere until the amount of delta-V needed to capture into the desired orbit is obtained, at which time the drag skirt is separated from the spacecraft. By modulating the time of drag skirt jettison, the vehicle can target a specific orbit apoapsis in the presence of uncertainties such as entry targeting errors and unknown atmospheric conditions.

Jadusingh, Matt↗
DOE OSTI2020

Fractional occupation numbers and self-interaction correction-scaling methods with the Fermi-Löwdin orbital self-interaction correction approach

In this work, we present a new assessment of the Fermi-Löwdin orbital self-interaction correction (FLO-SIC) approach with an emphasis on its performance for predicting energies as a function of fractional occupation numbers (FONs) for various multielectron systems. Our approach is implemented in the massively parallelized NWChem quantum chemistry software package and has been benchmarked on the prediction of total energies, atomization energies, and ionization potentials of small molecules and relatively large aromatic systems. Within our study, we also derive an alternate expression for the FLO-SIC energy gradient expressed in terms of gradients of the Fermi-orbital eigenvalues and revisit how the FLO-SIC methodology can be seen as a constrained unitary transformation of the canonical Kohn–Sham orbitals. Finally, we conclude with calculations of energies as a function of FONs using various SIC-scaling methods to test the limits of the FLO-SIC formalism on a variety of multielectron systems. We find that these relatively simple scaling methods do improve the prediction of total energies of atomic systems as well as enhance the accuracy of energies as a function of FONs for other multielectron chemical species.

fractional occupation number↗
DOE OSTI2020

Proximity Spin–Orbit Torque on a Two-Dimensional Magnet within van der Waals Heterostructure: Current-Driven Antiferromagnet-to-Ferromagnet Reversible Nonequilibrium Phase Transition in Bilayer CrI 3

The recently discovered two-dimensional magnetic insulator CrI 3 is an intriguing case for basic research and spintronic applications since it is a ferromagnet in the bulk but an antiferromagnet in bilayer form, with its magnetic ordering amenable to external manipulations. Using the first-principles quantum transport approach, we predict that injecting unpolarized charge current parallel to the interface of the bilayer-CrI 3 /monolayer-TaSe 2 van der Waals (vdW) heterostructure will induce spin–orbit torque and thereby drive the dynamics of magnetization on the first monolayer of CrI 3 in direct contact with TaSe 2 . By combining the calculated complex angular dependence of spin–orbit torque with the Landau-Lifshitz-Gilbert equation for classical dynamics of magnetization, we demonstrate that current pulses can switch the direction of magnetization on the first monolayer to become parallel to that of the second monolayer, thereby converting CrI 3 from antiferromagnet to ferromagnet while not requiring any external magnetic field. We explain the mechanism of this reversible current-driven nonequilibrium phase transition by showing that first monolayer of CrI 3 carries current due to evanescent wave functions injected by metallic transition metal dichalcogenide TaSe 2 , while concurrently acquiring strong spin–orbit coupling via such a proximity effect, whereas the second monolayer of CrI 3 remains insulating. Furthermore, the transition can be detected by passing vertical read current through the vdW heterostructure, encapsulated by a bilayer of hexagonal boron nitride and sandwiched between graphite electrodes, where we find a tunneling magnetoresistance of ≃240%.

2D magnetic materials↗
DOE OSTI2016

In silico simulations of tunneling barrier measurements for molecular orbital-mediated junctions: A molecular orbital theory approach to scanning tunneling microscopy

A new simulator for scanning tunneling microscopy (STM) is presented based on the linear combination of atomic orbitals molecular orbital (LCAO-MO) approximation for the effective tunneling Hamiltonian, which leads to the convolution integral when applied to the tip interaction with the sample. This approach intrinsically includes the structure of the STM tip. Through this mechanical emulation and the tip-inclusive convolution model, dI/dz images for molecular orbitals (which are closely associated with apparent barrier height, ϕ{sub ap}) are reported for the first time. For molecular adsorbates whose experimental topographic images correspond well to isolated-molecule quantum chemistry calculations, the simulator makes accurate predictions, as illustrated by various cases. Distortions in these images due to the tip are shown to be in accord with those observed experimentally and predicted by other ab initio considerations of tip structure. Simulations of the tunneling current dI/dz images are in strong agreement with experiment. The theoretical framework provides a solid foundation which may be applied to LCAO cluster models of adsorbate–substrate systems, and is extendable to emulate several aspects of functional STM operation.

42 ENGINEERING↗
NASA NTRS2019

NIAC Phase I Final Report: On-Orbit, Collision-Free Mapping of Small Orbital Debris

Sub-centimeter orbital debris is currently undetectable using ground-based radar and optical methods. However, the pits in Space Shuttle windows produced by paint chips (e.g. the 3.8mm diameter pit produced by a 0.2mm paint chip on STS-7) demonstrate that small debris can cause serious damage to spacecraft. Recent analytical, computational and experimental work has shown that charged objects moving quickly through a plasma will cause the formation of solitons in the plasma density. Due to their exposure to the solar wind plasma environment, even the smallest space debris will be charged. Depending on the debris size, charge and velocity, the plasma signature of the solitons may be detected by simple instrumentation on spacecraft. We will describe the amplitude and velocity of solitons that may be produced by mm-cm scale orbital debris in LEO. We will discuss the feasibility of mapping sub-cm orbital debris using a fleet of CubeSats equipped with Langmuir probes. The time and fleet size required to map the debris will also be described. Plasma soliton detection would be the first collision-free method of mapping the small debris population.

Orbital Debris↗
NASA NTRSDate not supplied

Trajectory Design Considerations for Low Lunar Orbit to Near Rectilinear Halo Orbit Transfers

NASA’s Artemis program plans to use a Near-Rectilinear Halo Orbit (NRHO) to stage assets for a lunar exploration campaign. While the proximity operations in the NRHO are simple and very similar to flat-space dynamics, the far-field ren-dezvous has considerations that are non-intuitive, especially to those that may be steeped in the dynamics of rendezvous in Keplerian orbits. This paper will discuss some key drivers to the delta-V performance of far-field rendezvous from Low Lunar Orbit to the Gateway space station in its 9:2 resonant south-ward NRHO.

NRHO↗
DOE OSTI2019

An exact solution of spherical mean-field plus orbit-dependent non-separable pairing model with two non-degenerate j-orbits

An exact solution of nuclear spherical mean-field plus orbit-dependent non-separable pairing model with two non-degenerate j-orbits is presented. The extended one-variable Heine–Stieltjes polynomials associated to the Bethe ansatz equations of the solution are determined, of which the sets of the zeros give the solution of the model, and can be determined relatively easily. A comparison of the solution to that of the standard pairing interaction with constant interaction strength among pairs in any orbit is made. It is shown that the overlaps of eigenstates of the model with those of the standard pairing model are always large, especially for the ground and the first excited state. However, the quantum phase crossover in the non-separable pairing model cannot be accounted for by the standard pairing interaction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Spin–Orbit Natural Transition Orbitals and Spin-Forbidden Transitions

Natural transition orbitals (NTOs) are in widespread use for visualizing and analyzing electronic transitions. Here, the present work introduces the analysis of formally spin-forbidden transitions with the help of complex-valued spin-orbit (SO) NTOs. The analysis specifically focuses on the components in such transitions that cause their intensity to be non-zero because of SO coupling. Transition properties such as transition dipole moments are partitioned into SO-NTO hole-particle pairs, such that contributions to the intensity from specific occupied and unoccupied orbitals are obtained. The method has been implemented within the restricted active space (RAS) self-consistent field wave function theory framework, with SO coupling treated by RAS state interaction. SO-NTOs have a broad range of potential applications, which is illustrated by the T 2 -S 1 state mixing in pyrazine, spin-forbidden vs. spin-allowed 4f–5d transitions in the Tb 3+ ion, and the phosphorescence of tris(2-phenylpyridine) iridium [Ir(ppy) 3 ].

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Multicomponent Cholesky Decomposition: Application to Nuclear–Electronic Orbital Theory

The Cholesky decomposition technique is commonly used to reduce the memory requirement for storing two-particle repulsion integrals in quantum chemistry calculations that use atomic orbital bases. However, when quantum methods use multicomponent bases, such as nuclear–electronic orbitals, additional challenges are introduced due to asymmetric two-particle integrals. This work proposes several multicomponent Cholesky decomposition methods for calculations using nuclear–electronic orbital density functional theory. To analyze the errors in different Cholesky decomposition components, benchmark calculations using water clusters are carried out. The largest benchmark calculation is a water cluster (H 2 O) 27 where all 54 protons are treated quantum mechanically. Furthermore, this study provides energetic and complexity analyses to demonstrate the accuracy and performance of the proposed multicomponent Cholesky decomposition method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Spin–Orbit versus Hyperfine Coupling-Mediated Intersystem Crossing in a Radical Pair

While spin–orbit coupling (SOC) is typically the dominant interaction that couples singlet and triplet states within individual chromophores, hyperfine coupling (HFC) becomes important in multichromophoric systems, particularly in relation to the radical pair mechanism. Here, we use TD-DFT to calculate the spin–orbit coupling and hyperfine coupling between the first singlet and triplet charge transfer states of the radical pair 2 Pyrene– and 2 N,N-dimethylaniline + . We show that, as the intermolecular donor–acceptor distance grows, SOC decays to zero (as one would expect) because singlet and triplet states are characterized by identical orbitals in space, while the HFC remains comparatively constant. Here, the switching region occurs around 4 Å, beyond which HFC dominates over SOC as far as defining the rate of intersystem crossing (ISC).

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Shrinking Self-Interaction Errors with the Fermi–Löwdin Orbital Self-Interaction-Corrected Density Functional Approximation

The self-interaction error (SIE) is one of the major drawbacks of practical exchange-correlation functionals for Kohn-Sham density functional theory. Despite this, the use of methods that explicitly remove SIE from approximate density functionals is scarce in the literature due to their relatively high computational cost and lack of consistent improvement over standard modern functionals. Here, we assess the performance of a novel approach recently proposed by Pederson, Ruzsinszky, and Perdew for performing self-interaction free calculations in density functional theory based on Fermi-orbitals. To this end, we employ test sets consisting of reaction energies that are considered particularly sensitive to SIE. We found that the parameter-free Fermi-Löwdin orbital self-interaction correction method combined with standard local spin density approximation (LSDA) and Perdew-Burke-Ernzerhof (PBE) functionals gives a much better estimate of reaction energies compared to their parent LSDA and PBE functionals for most of the reactions in these two sets. They also perform on par with the global PBE0 and range-separated LC-ωPBE hybrids, which partially eliminate the SIE by including Hartree-Fock exchange. This shows the potential of the Fermi-Löwdin orbital self-interaction corrected (FLOSIC) method for practical density functional calculations without SIE.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗