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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
NASA NTRS2009

Formation Flying Control Implementation in Highly Elliptical Orbits

The Tschauner-Hempel equations are widely used to correct the separation distance drifts between a pair of satellites within a constellation in highly elliptical orbits [1]. This set of equations was discretized in the true anomaly angle [1] to be used in a digital steady-state hierarchical controller [2]. This controller [2] performed the drift correction between a pair of satellites within the constellation. The objective of a discretized system is to develop a simple algorithm to be implemented in the computer onboard the satellite. The main advantage of the discrete systems is that the computational time can be reduced by selecting a suitable sampling interval. For this digital system, the amount of data will depend on the sampling interval in the true anomaly angle [3]. The purpose of this paper is to implement the discrete Tschauner-Hempel equations and the steady-state hierarchical controller in the computer onboard the satellite. This set of equations is expressed in the true anomaly angle in which a relation will be formulated between the time and the true anomaly angle domains.

Capo-Lugo, Pedro A.↗
NASA NTRS1990

Ionospheric refraction effects on orbit determination using the orbit determination error analysis system

The influence of ionospheric refraction on orbit determination was studied through the use of the Orbit Determination Error Analysis System (ODEAS). The results of a study of the orbital state estimate errors due to the ionospheric refraction corrections, particularly for measurements involving spacecraft-to-spacecraft tracking links, are presented. In current operational practice at the Goddard Space Flight Center (GSFC) Flight Dynamics Facility (FDF), the ionospheric refraction effects on the tracking measurements are modeled in the Goddard Trajectory Determination System (GTDS) using the Bent ionospheric model. While GTDS has the capability of incorporating the ionospheric refraction effects for measurements involving ground-to-spacecraft tracking links, such as those generated by the Ground Spaceflight Tracking and Data Network (GSTDN), it does not have the capability to incorporate the refraction effects for spacecraft-to-spacecraft tracking links for measurements generated by the Tracking and Data Relay Satellite System (TDRSS). The lack of this particular capability in GTDS raised some concern about the achievable accuracy of the estimated orbit for certain classes of spacecraft missions that require high-precision orbits. Using an enhanced research version of GTDS, some efforts have already been made to assess the importance of the spacecraft-to-spacecraft ionospheric refraction corrections in an orbit determination process. While these studies were performed using simulated data or real tracking data in definitive orbit determination modes, the study results presented here were obtained by means of covariance analysis simulating the weighted least-squares method used in orbit determination.

Yee, C. P.↗
DOE OSTI2017

Semiclassical approaches to nuclear dynamics

The extended Gutzwiller trajectory approach is presented for the semiclassical description of nuclear collective dynamics, in line with the main topics of the fruitful activity of V.G. Solovjov. Within the Fermi-liquid droplet model, the leptodermous effective surface approximation was applied to calculations of energies, sum rules, and transition densities for the neutron–proton asymmetry of the isovector giant-dipole resonance and found to be in good agreement with the experimental data. By using the Strutinsky shell correction method, the semiclassical collective transport coefficients, such as nuclear inertia, friction, stiffness, and moments of inertia, can be derived beyond the quantum perturbation approximation of the response function theory and the cranking model. The averaged particle-number dependences of the low-lying collective vibrational states are described in good agreement with the basic experimental data, mainly due to the enhancement of the collective inertia as compared to its irrotational flow value. Shell components of the moment of inertia are derived in terms of the periodic-orbit free-energy shell corrections. A good agreement between the semiclassical extended Thomas–Fermi moments of inertia with shell corrections and the quantum results is obtained for different nuclear deformations and particle numbers. Shell effects are shown to be exponentially dampted out with increasing temperature in all the transport coefficients.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1976

The strange case of the missing apocentric librators in the 3:2 resonance

From a comparison of the 2:1 and 3:2 resonances (in the asteroidal belt) two possible explanations to the absence of 3:2 apocentric librators are suggested. The first one is that such 3:2 resonant motion is dynamically unstable. The second interpretation requires the absence of near-circular orbits originally at 4 AU. The latter view, if correct, is inconsistent with cosmogonic models which predict the original orbits of the asteroids to be nearly circular.

Ip, W.-H.↗
NASA NTRS2006

Extremely Accurate On-Orbit Position Accuracy using TDRSS

NASA is planning to launch a new service for Earth satellites providing them with precise GPS differential corrections and other ancillary information enabling decimeter level orbit determination accuracy and nanosecond time-transfer accuracy, onboard, in real-time. The TDRSS Augmentation Service for Satellites (TASS) will broadcast its message on the S-band multiple access forward channel of NASA s Tracking and Data Relay Satellite System (TDRSS). The satellite's phase array antenna has been configured to provide a wide beam, extending coverage up to 1000 km altitude over the poles. Global coverage will be ensured with broadcast from three or more TDRSS satellites. The GPS differential corrections are provided by the NASA Global Differential GPS (GDGPS) System, developed and operated by JPL. The GDGPS System employs global ground network of more than 70 GPS receivers to monitor the GPS constellation in real time. The system provides real-time estimates of the GPS satellite states, as well as many other real-time products such as differential corrections, global ionospheric maps, and integrity monitoring. The unique multiply redundant architecture of the GDGPS System ensures very high reliability, with 99.999% demonstrated since the inception of the system in early 2000. The estimated real time GPS orbit and clock states provided by the GDGPS system are accurate to better than 20 cm 3D RMS, and have been demonstrated to support sub-decimeter real time positioning and orbit determination for a variety of terrestrial, airborne, and spaceborne applications. In addition to the GPS differential corrections, TASS will provide real-time Earth orientation and solar flux information that enable precise onboard knowledge of the Earth-fixed position of the spacecraft, and precise orbit prediction and planning capabilities. TASS will also provide 5 seconds alarms for GPS integrity failures based on the unique GPS integrity monitoring service of the GDGPS System.

Stocklin, Frank↗
DOE OSTI2023

Imposing correct jellium response is key to predict the density response by orbital-free DFT

Orbital-free density functional theory constitutes a computationally highly effective tool for modeling electronic structures of systems ranging from room-temperature materials to warm dense matter. Its accuracy critically depends on the employed kinetic energy (KE) density functional, which has to be supplied as an external input. In this work we consider several nonlocal and Laplacian-level KE functionals and use an external harmonic perturbation to compute the static density response at T = 0 K in the linear and beyond-linear response regimes. We test for the satisfaction of exact conditions in the limit of uniform densities and for how approximate KE functionals reproduce the density response of realistic materials (e.g., Al and Si) against the Kohn-Sham DFT reference, which employs the exact KE. The results illustrate that several functionals violate exact conditions in the uniform electron gas (UEG) limit. We find a strong correlation between the accuracy of the KE functionals in the UEG limit and in the strongly inhomogeneous case. This empirically demonstrates the importance of imposing the limit of UEG response for uniform densities and validates the use of the Lindhard function in the formulation of kernels for nonlocal functionals. This conclusion is substantiated by additional calculations for bulk aluminum (Al) with a face-centered cubic (fcc) lattice and silicon (Si) with an fcc lattice, body-centered cubic (bcc) lattice, and semiconducting crystal diamond state. The analysis of fcc Al, and fcc as well as bcc Si data follows closely the conclusions drawn for the UEG, allowing us to extend our conclusions to realistic systems that are subject to density inhomogeneities induced by ions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2013

GRAIL Science Data System Orbit Determination : Approach, Strategy, and Performance

This paper details orbit determination techniques and strategies employed within each stage of the larger iterative process of preprocessing raw GRAIL data into the gravity science measurements used within gravity field solutions. Each orbit determination pass used different data, corrections to them, and/or estimation parameters. We compare performance metrics among these passes. For example, for the primary mission, the magnitude of residuals using our orbits progressed from approximately or equal to19.4 to 0.077 approximately or equal to m/s for inter-satellite range rate data and from approximately or equal to 0.4 to approximately or equal to 0.1 mm/s for Doppler data.

Gravity Recovery and Interior Laboratory (GRAIL)↗
DOE OSTI2024

Beam Dynamics of the Muon $g\textrm{-}2$ Experiment

The Muon $g\textrm{-}2$ Experiment (E989) at Fermilab aims to measure the muon anomalous magnetic moment $a_{\mu}$ with unprecedented precision, potentially uncovering physics beyond the Standard Model of particle physics. The result based on Runs 1-3, released in 2023, achieved a precision of 0.20 ppm. The experiment circulates muons in a storage ring, measuring $a_{\mu}$ from decay positron time and energy measurements collected with calorimeters. To achieve the required accuracy, it is crucial to measure and control the magnetic field in the ring with high precision. Beam dynamics corrections are necessary for muons not orbiting exactly in the midplane, for their oscillations, and for electric field effects. Highly accurate beam dynamics simulations are instrumental for quantifying and validating the beam dynamics corrections, ultimately improving the precision of the $a_{\mu}$ measurement and facilitating the achievement of the ambitious $70\:\mathrm{ppb}$ systematic uncertainty goal. The measured field data was incorporated into models for simulations using three codes: \texttt{gm2ringsim} (an internal Geant4-based code), \textit{COSY INFINITY}, and \textit{BMAD}. The advantages of \texttt{gm2ringsim} include using CAD-based geometry and modelling the detector effects. \textit{COSY INFINITY} is a highly accurate and efficient code that uses high-order differential-algebraic transfer maps, precise fringe field calculations, and advanced symplectification methods. Symplectification is important for maintaining the physical correctness of the muon beam behaviour with high precision over the storage time, ensuring conservation of phase space volume and preventing artificial damping or excitation of particle motion. The experiment completed its final Run 6 in July 2023, collecting 21 times more data than the previous BNL experiment. Analyses of data from Runs 4-6 are ongoing, with results planned for release in 2025, potentially resolving the current tension between experiment and theory.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Polarizabilities of neutral atoms and atomic ions with a noble gas electron configuration

Atomic polarizabilities play an important role in the development of force fields for molecular simulations, as well as for the development of qualitative concepts of atomic and molecular behavior. Coupled cluster theory at the coupled cluster singles doubles triples level with very large correlation-consistent basis sets with extended diffuse functions has been used to predict the polarizabilities of the atomic neutrals, mono-cations and mono-anions with a noble gas configuration. Additional corrections for scalar relativistic and spin–orbit effects were also included for the electron configurations of Kr, Xe, and Rn. The results are in excellent agreement with experiment or with other high level calculations where available. The current results for most of these species represent the best available values for the polarizabilities. The results show that the polarizability of H - is very difficult to calculate without extremely diffuse functions. The polarizability of H - is the largest value, 34.05 Å 3 , calculated for all species in the current study. The polarizabilities of the remaining halogen anions are also the best available values. The polarizabilities of the halogen anions (excluding F - ) and H - have a linear correlation with the electron affinity of the neutral atom. Spin– orbit effects, even for closed shell species, cannot be ignored for quantitative accuracy, and the inclusion of spin–orbit effects for Fr + , Rn, and At - increases the polarizability by 4%, 6%, and 15%, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1995

Use of nonlinear identification in robust attitude and attitude rate estimation for SAMPEX

A method is described for obtaining optimal attitude estimation/identification algorithms for spacecraft lacking attitude rate measurement devices (rate gyros), and then demonstrated using actual flight data from the Solar, Anomalous, and Magnetospheric Particle Explorer (SAMPEX) spacecraft. SAMPEX does not have on-board rate sensing, and relies on sun sensors and a three-axis magnetometer for attitude determination. The absence of rate data normally reduces both the total amount of data available and the sampling density (in time) by a substantial fraction. In addition, attitude data is occasionally unavailable (for example, during sun occultation). As a result, the sensitivity of the estimates to model uncertainty and to measurement noise increases. In order to maintain accuracy in the attitude estimates, there is an increased need for accurate models of the rotational dynamics. The Minimum Model Error(MME)/Least Square Correlation(LSC) algorithm accurately identifies an improved model for SAMPEX to be used during periods of complete data loss or extreme noise. The model correction is determined by estimating only one orbit(the identification pass) just prior to the assumed data loss(the prediction pass). The MME estimator correctly predicted the states during the identification phase, but more importantly determines the necessary model correction trajectory, d(t). The LSC algorithm is then used to find this trajectory's functional form, H(x(t)). The results show significant improvement of the new corrected model's attitude estimates as compared to the original uncorrected model's estimates. The possible functional form of the correction term is limited at this point in the study to functions strictly of the estimated states. The results, however, strongly suggest that functions based on the relative position of the satellite may also be possible candidates for future consideration.

Mook, D. Joseph↗
DOE OSTI2024

Chiral limit and origin of topological flat bands in twisted transition metal dichalcogenide homobilayers

Abstract The observation of zero field fractional quantum Hall analogs in twisted transition metal dichalcogenides (TMDs) asks for a deeper understanding of what mechanisms lead to topological flat bands in two-dimensional heterostructures, and what makes TMDs an excellent platform for topologically ordered phases, surpassing twisted bilayer graphene. To this aim, we explore the chiral limits of massive Dirac theories applicable toC 3 -symmetric moiré materials, and show their relevance for both bilayer graphene and TMD homobilayers. In the latter, the Berry curvature of valence bands leads to relativistic corrections of the moiré potential that promote band flattening, and permit a limit with exactly flat bands with nonzero Chern number. The relativistic corrections enter as alayer-orbit coupling, analogous to spin-orbit coupling for relativistic Dirac fermions, which we show is non-negligible on the moiré scale. The Berry curvature of the TMD monolayers therefore plays an essential role in the flattening of moiré Chern bands in these heterostructures.

Physics↗
DOE OSTI2026

Investigating trends in actinide covalency and magnetism with 35/37 Cl SSNMR spectroscopy and first-principles calculations

Solid-state NMR (SSNMR) spectroscopy is a powerful technique for studying actinide chemistry but has been significantly limited due to the complex paramagnetism, and radiological hazards presented by these materials. Lanthanide and actinide salts often feature magnetic ordering and can be paramagnetic, ferromagnetic, or antiferromagnetic depending on temperature and electronic structure. Paramagnetic interactions can manifest in SSNMR both as secular spectral shifts and/or couplings as well as contributions from non-secular relaxation. Both effects can be directly measured with NMR and used to extrapolate rich chemical information such as coordination environments, bonding characteristics, local molecular dynamics, and correlation times. Typically, these studies are carried out on high-γ and highly abundant NMR-active isotopes (e.g., 1 H, 6/7 Li, 19 F, 23 Na, etc.) or on enriched rare isotopes (e.g., 2 H and 17 O), which can be expensive. Herein, we present a facile methodology to measure the 35/37 Cl electric-field gradient (EFG) and paramagnetic shift anisotropy (SA) tensor components using static wideline SSNMR measurements of LaCl 3 , NdCl 3 , UCl 3 , and UCl 4 . The static powder spectra were measured with both 35 Cl and 37 Cl SSNMR to increase the fidelity of the extracted tensor parameters. Variable temperature NMR of a select case confirms the Curie–Weiss paramagnetism. Relaxation measurements of both nuclei further corroborate observations owing to the paramagnetic relaxation enhancement and reveal simultaneous quadrupolar relaxation mechanisms. Density functional theory (DFT) calculations using Hubbard U corrections to the uranium valence orbitals show excellent agreement with experimental EFG tensor parameters and help describe the bonding characteristics in these lanthanide and actinide systems.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory

Domain based local pair natural orbital coupled cluster theory with single-, double-, and perturbative triple excitations (DLPNO-CCSD(T)) is a highly efficient local correlation method. It is known to be accurate and robust and can be used in a black box fashion in order to obtain coupled cluster quality total energies for large molecules with several hundred atoms. While previous implementations showed near linear scaling up to a few hundred atoms, several nonlinear scaling steps limited the applicability of the method for very large systems. In this work, these limitations are overcome and a linear scaling DLPNO-CCSD(T) method for closed shell systems is reported. The new implementation is based on the concept of sparse maps that was introduced in Part I of this series [P. Pinski, C. Riplinger, E. F. Valeev, and F. Neese, J. Chem. Phys. 143, 034108 (2015)]. Using the sparse map infrastructure, all essential computational steps (integral transformation and storage, initial guess, pair natural orbital construction, amplitude iterations, triples correction) are achieved in a linear scaling fashion. In addition, a number of additional algorithmic improvements are reported that lead to significant speedups of the method. The new, linear-scaling DLPNO-CCSD(T) implementation typically is 7 times faster than the previous implementation and consumes 4 times less disk space for large three-dimensional systems. For linear systems, the performance gains and memory savings are substantially larger. Calculations with more than 20 000 basis functions and 1000 atoms are reported in this work. In all cases, the time required for the coupled cluster step is comparable to or lower than for the preceding Hartree-Fock calculation, even if this is carried out with the efficient resolution-of-the-identity and chain-of-spheres approximations. The new implementation even reduces the error in absolute correlation energies by about a factor of two, compared to the already accurate previous implementation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Electronic structure and magnetism of transition metal dihalides: Bulk to monolayer

Based on first-principles calculations, the evolution of the electronic and magnetic properties of transition metal dihalides MX 2 (M=V, Mn, Fe, Co, Ni; X = Cl, Br, I) is analyzed from the bulk to the monolayer limit. A variety of magnetic ground states is obtained as a result of the competition between direct exchange and superexchange. The results predict that Fe X 2 , Ni X 2 , CoCl 2 , and CoBr 2 monolayers are ferromagnetic insulators with sizable magnetocrystalline anisotropies. This makes them ideal candidates for robust ferromagnetism at the single-layer level. Furthermore our results highlight the importance of spin-orbit coupling to obtain the correct ground state in these materials.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Disorder-induced magnetoelastic behaviors of MnTexSbyBi1-x-y alloys

This dataset contains input and output files from density functional theory (DFT) simulations used to study the disorder-induced magnetoelastic behaviors of MnTexSbyBi1-x-y (0 ≤ x + y ≤ 1) alloys and their binary end members MnTe, MnSb, and MnBi. The alloys adopt the hexagonal NiAs-type (nickeline) structure and span ternary (MnTexSb1-x, MnTexBi1-x, MnBixSb1-x), and quaternary compositions across the full MnTe–MnSb–MnBi composition triangle. For each alloy composition, the dataset provides DFT calculations in three magnetic configurations: A-type antiferromagnetic (AFM), C-type AFM, and ferromagnetic (FM). Every magnetic configuration folder contains the fully relaxed crystal structure (CONTCAR), VASP input parameters (INCAR), and the main VASP output file (OUTCAR), from which total electronic energies, Mn magnetic moments, lattice parameters, and percent volume changes between magnetic states are extracted. These data are used to construct compositional phase diagrams, evaluate thermodynamic stability (formability), and map magnetoelastic responses across the alloy space. For A-type AFM and FM configurations, additional data are provided as follows: (i) FORCE_CONSTANTS and thermal_properties.yaml files at the top level of A-type_AFM/ and FM/ folders — present only for compositions marked with an asterisk (*) in Table I of the main text. These are derived from Phonopy finite-displacement calculations on full disordered 128-atom supercells and provide vibrational free energy, entropy (Svib)contribution from explicit disorder calculations. (Table I of the associated main manuscript) (ii) A VCA/ subfolder within A-type_AFM/ and FM/, containing FORCE_CONSTANTS and thermal_properties.yaml from Virtual Crystal Approximation phonon calculations (without spin-orbit coupling). VCA data are available for all compositions and are used to estimate vibrational contributions to the Gibbs free energy across the full composition space. (iii) A SOC/ subfolder containing CONTCAR, INCAR, and OUTCAR from spin-orbit coupling calculations, providing relativistic corrections to electronic energies and lattice parameters (Tables S2–S3 of the SM, and Table I of the main manuscript). (iv) A SOC/VCA/ subfolder containing FORCE_CONSTANTS and thermal_properties.yaml from VCA phonon calculations performed within the SOC framework, combining relativistic and vibrational thermodynamic corrections. The computed properties are used to map the AFM–FM magnetic crossover near MnTe0.75Sb0.25, demonstrate disorder- and spin-induced phonon broadening, identify a semiconductor-to-metal crossover, and quantify the pronounced magnetoelastic volume response near the magnetic phase boundary.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Contextual modeling and Bayesian Optimization for Improved Injection at the Fermilab Booster

The Fermilab accelerator complex delivers high-intensity proton beams to serve the lab’s neutrino, muon, and fixed-target programs. A normal-conducting Linac accelerates H− beam to 400 MeV and injects into the Booster rapid cycling synchrotron via charge exchange, which accelerates protons to 8 GeV. Injection from the Linac into the Booster is a critical area for high-power performance of the Fermilab proton complex. The Booster is a high-intensity proton ring with extreme space-charge forces which necessitates precise control over the beam losses through the acceleration cycle. The main challenge for the reliability of Booster performance is compensating for drifting conditions in the beam from the Linac, which can drift daily in energy by up to O(1) MeV w.r.t. design. Drifts in Linac orbit and energy must be corrected to match the Booster, while simultaneously accommodating interdependent drifts in transverse and longitudinal beam quality. Operationally, compensation for these changes is addressed by manual tuning of the Linac output energy and/or Booster acceptance, which can be inefficient and time-consuming. This works describes contextual Bayesian Optimization for injection tuning that takes into account the state of Linac beam via information from instrumentation in the injection line (Beam position monitors (BPMs), beam loss monitors (BLMs), wire scanners for transverse profiles (WSs)), as well as RF cavity setting parameters from the Linac.

Sharankova, R. [Fermilab] (ORCID:000000027014593X)↗
NASA NTRS1977

The binary pulsar - Post-Newtonian timing effects

Certain post-Newtonian effects may be observable in the arrival times of pulses from the binary pulsar PSR 1913+16. Such effects include the gravitational propagation delay and the post-Newtonian corrections to the elliptical binary orbit. Fitting a model of these effects as they are predicted by general relativity to the pulse arrival times permits the estimation of more parameters than are necessary to determine the orbit and masses of the system. This redundancy provides an important check of the assumption that the observed periastron precession rate is entirely due to the effect of general relativity on compact masses.

Epstein, R.↗