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NASA NTRS2016

Lunar Phase Function at 1064 Nm from Lunar Orbiter Laser Altimeter Passive and Active Radiometry

We present initial calibration and results of passive radiometry collected by the Lunar Orbiter Laser Altimeter onboard the Lunar Reconnaissance Orbiter over the course of 12 months. After correcting for time- and temperature-dependent dark noise and detector responsivity variations, the LOLA passive radiometry measurements are brought onto the absolute radiance scale of the SELENE Spectral Profiler. The resulting photometric precision is estimated to be 5%. We leverage the unique ability of LOLA to measure normal albedo to explore the 1064 nm phase function's dependence on various geologic parameters. On a global scale, we find that iron abundance and optical maturity (quantified by FeO and OMAT) are the dominant controlling parameters. Titanium abundance (TiO2), surface roughness on decimeter to decameter scales, and soil thermo- physical properties have a smaller effect, but the latter two are correlated with OMAT, indicating that exposure age is the driving force behind their effects in a globally-averaged sense. The phase function also exhibits a dependence on surface slope at approximately 300 m baselines, possibly the result of mass wasting exposing immature material and/or less space weathering due to reduced sky visibility. Modeling the photometric function in the Hapke framework, we find that, relative to the highlands, the maria exhibit decreased backscattering, a smaller opposition effect (OE) width, and a smaller OE amplitude. Immature highlands regolith has a higher backscattering fraction and a larger OE width compared to mature highlands regolith. Within the maria, the backscattering fraction and OE width show little dependence on TiO2 and OMAT. Variations in the phase function shape at large phase angles are observed in and around the Copernican-aged Jackson crater, including its dark halo, a putative impact melt deposit. Finally, the phase function of the Reiner Gamma Formation behaves more optically immature than is typical for its composition and OMAT, suggesting the visible-to-near-infrared spectrum and phase function respond differently to the unusual regolith evolution and properties at this location. The phase difference map revealed additional geologically-influenced variations in the phase function's shape. In particular, variations were observed associated with the dark halo around Jackson crater, the impact ejecta of Copernicus and Giordano Bruno, and the Reiner Gamma Formation. For the latter, we 915 found that the phase function behaves more optically immature than the global phase function for its composition and OMAT, suggesting a difference in how the visible-to-near-IR spectrum and phase function respond to the unusual regolith evolution and properties at this location.

moon↗

NASA NTRS2016

Lunar Phase Function at 1064 Nm from Lunar Orbiter Laser Altimeter Passive and Active Radiometry

We present initial calibration and results of passive radiometry collected by the Lunar Orbiter Laser Al- timeter onboard the Lunar Reconnaissance Orbiter over the course of 12 months. After correcting for time- and temperature-dependent dark noise and detector responsivity variations, the LOLA passive radiometry measurements are brought onto the absolute radiance scale of the SELENE Spectral Profiler. The resulting photometric precision is estimated to be approximately 5%. We leverage the unique ability of LOLA to measure normal albedo to explore the 1064 nm phase function's dependence on various geologic parameters. On a global scale, we find that iron abundance and optical maturity (quantified by FeO and OMAT) are the dominant controlling parameters. Titanium abundance (TiO2 ), surface roughness on decimeter to decameter scales, and soil thermophysical properties have a smaller effect, but the latter two are correlated with OMAT, indicating that exposure age is the driving force behind their effects in a globally-averaged sense. The phase function also exhibits a dependence on surface slope at approximately 300 m baselines, possibly the result of mass wasting exposing immature material and/or less space weathering due to reduced sky visibility. Modeling the photometric function in the Hapke framework, we find that, relative to the highlands, the maria exhibit decreased backscattering, a smaller opposition effect (OE) width, and a smaller OE amplitude. Immature highlands regolith has a higher backscattering fraction and a larger OE width compared to mature highlands regolith. Within the maria, the backscattering fraction and OE width show little dependence on TiO2 and OMAT. Variations in the phase function shape at large phase angles are observed in and around the Copernican-aged Jackson crater, including its dark halo, a putative impact melt deposit. Finally, the phase function of the Reiner Gamma Formation behaves more optically immature than is typical for its composition and OMAT, suggesting the visible-to-near-infrared spectrum and phase function respond differently to the unusual regolith evolution and properties at this location.

LOLA↗

NASA NTRS2016

Progress of Improving Terra MODIS LWIR Spectral Band Calibration

Restoring Terra MODIS LWIR spectral band calibration and data quality using improved crosstalk correction algorithm and coefficients derived from on-orbit lunar observations.

MODIS↗

NASA NTRS2016

Distance to the IBEX Ribbon Source Inferred From Parallax

Maps of energetic neutral atom (ENA) fluxes obtained from observations made by the Interstellar Boundary Explorer (IBEX) revealed a bright structure extending over the sky, subsequently dubbed the IBEX ribbon. The ribbon had not been expected from the existing models and theories prior to IBEX, and a number of mechanisms have since been proposed to explain the observations. In these mechanisms, the observed ENAs emerge from source plasmas located at different distances from the Sun. Since each part of the sky is observed by ibex TWICE DURING THE YEAR FROM OPPOSTIE SIDE OF THE Sun, the apparent position of the ribbon as observed in the sky is shifted due to parallax. To determine the ribbons parallax, we found the precise location of the maximum signal of the ribbon observed in each orbital arc. The apparent positions obtained were subsequently corrected for the Compton-Getting effect, gravitational deflection, and radiation pressure. Finally, we selected a part of the ribbon where its position is similar in the different IBEX ENERGY PASSBANDS. We compared the apparent positions obtained from the viewing locations on the opposite sides of the Sun, and found that they are shifted by a parallax angle of 0 41 0 15, which corresponds to a distance of AU. This finding supports models of the ribbon with the source located just outside the heliopause.

ISM: atoms↗

NASA NTRS2016

Temporal Gain Correction for X-Ray Calorimeter Spectrometers

Calorimetric X-ray detectors are very sensitive to their environment. The boundary conditions can have a profound effect on the gain including heat sink temperature, the local radiation temperature, bias, and the temperature of the readout electronics. Any variation in the boundary conditions can cause temporal variations in the gain of the detector and compromise both the energy scale and the resolving power of the spectrometer. Most production X-ray calorimeter spectrometers, both on the ground and in space, have some means of tracking the gain as a function of time, often using a calibration spectral line. For small gain changes, a linear stretch correction is often sufficient. However, the detectors are intrinsically non-linear and often the event analysis, i.e., shaping, optimal filters etc., add additional non-linearity. Thus for large gain variations or when the best possible precision is required, a linear stretch correction is not sufficient. Here, we discuss a new correction technique based on non-linear interpolation of the energy-scale functions. Using Astro-HSXS calibration data, we demonstrate that the correction can recover the X-ray energy to better than 1 part in 104 over the entire spectral band to above 12 keV even for large-scale gain variations. This method will be used to correct any temporal drift of the on-orbit per-pixel gain using on-board calibration sources for the SXS instrument on the Astro-H observatory.

X-ray detector X-ray spectrometer X-ray calorimete↗

NASA NTRS2017

Lessons for Interstellar Travel from the Guidance and Control Design of the Near Earth Asteroid Scout Solar Sail Mission

NASA is developing the Near Earth Asteroid (NEA) Scout mission that will use a solar sail to travel to an asteroid where it will perform a slow flyby to acquire science imagery. A guidance and control system was developed to meet the science and trajectory requirements. The NEA Scout design process can be applied to an interstellar or precursor mission that uses a beam propelled sail. The scientific objectives are met by accurately targeting the destination trajectory position and velocity. The destination is targeted by understanding the force on the sail from the beam (or sunlight in the case of NEA Scout) over the duration of the thrust maneuver. The propulsive maneuver is maintained by accurate understanding of the torque on the sail, which is a function of sail shape, optical properties, and mass properties, all of which apply to NEA Scout and beam propelled sails. NEA Scout uses active control of the sail attitude while trimming the solar torque, which could be used on a beamed propulsion sail if necessary. The biggest difference is that NEA Scout can correct for uncertainties in sail thrust modeling, spacecraft orbit, and target orbit throughout the flight to the target, while beamed propulsion needs accurate operation for the short duration of the beamed propulsion maneuver, making accurate understanding of the sail thrust and orbits much more critical.

Diedrich, Benjamin↗

NASA NTRS2017

Lessons for Interstellar Travel from the G&C Design of the NEA Scout Solar Sail Mission

NASA is developing the Near Earth Asteroid (NEA) Scout mission that will use a solar sail to travel to an asteroid where it will perform a slow flyby to acquire science imagery. A guidance and control system was developed to meet the science and trajectory requirements. The NEA Scout design process can be applied to an interstellar or precursor mission that uses a beam-propelled sail. The scientific objectives are met by accurately targeting the destination trajectory position and velocity. The destination is targeted by understanding the force on the sail from the beam (or sunlight in the case of NEA Scout) over the duration of the thrust maneuver. The propulsive maneuver is maintained by accurate understanding of the torque on the sail, which is a function of sail shape, optical properties, and mass properties, all of which apply to NEA Scout and beam propelled sails. NEA Scout uses active control of the sail attitude while trimming the solar torque, which could be used on a beamed propulsion sail if necessary. The biggest difference is that NEA Scout can correct for uncertainties in sail thrust modeling, spacecraft orbit, and target orbit throughout the flight to the target, while beamed propulsion needs accurate operation for the short duration of the beamed propulsion maneuver, making accurate understanding of the sail thrust and orbits much more critical.

Heaton, Andrew↗

NASA NTRSDate not supplied

Radiometric Assessment of the First Three Years of the NOAA-20 VIIRS Reflective Solar Bands Calibration

NASA’s Clouds and the Earth’s Radiant Energy System (CERES) SYN1deg Ed4.1 product utilizes geostationary (GEO) satellite measured radiances and retrieved cloud properties to account for the regional diurnal fluctuations in the Earth’s radiant broadband fluxes for times between the CERES measurements gathered from the Aqua (1:30 PM) and Terra (10:30 AM) sun-synchronous satellites. In CERES Edition 4 products, a global uniformity in the cloud properties and computed surface fluxes across the GEO satellite domains is maintained by scaling the radiance observations from more than twenty GEO visible imagers in the CERES record to a common radiometric reference scale, i.e., Aqua-MODIS. With the new-generation GEO (Himawari-8/9 and GOES-16/17) imagers having multiple reflective solar bands (RSB) that are spectrally similar to those of VIIRS, the CERES Imager and Geostationary Calibration Group (IGCG) is preparing to use NOAA-20 VIIRS as the reference imager for maintaining the radiometric uniformity across the GEO imager constellation. Given the recent Aqua satellite anomaly, this transition may happen sooner than the projected date of Aqua’s de-orbit. This paper presents an independent performance evaluation of the first three years of the NOAA-20 VIIRS RSB calibration in the NASA VIIRS Land Science Investigator-led Processing System (Land SIPS) L1b Collection 2 dataset. The temporal radiometric stability is assessed using multiple invariant Earth targets, including tropical deep convective clouds and the Saharan desert. The invariant target anisotropic reflectance at the top of atmosphere was modeled using five years of stable satellite observations acquired from the previous VIIRS instrument onboard the Suomi National Polar-orbiting Partnership (S-NPP) satellite. The anisotropic corrections are essential for detecting temporal trends with a high statistical confidence. In addition, the radiometric consistency between the RSB of the two VIIRS instruments will be evaluated.

Rajendra Bhatt↗

NASA NTRSDate not supplied

Radiometric Assessment of the First Three Years of the NOAA-20 VIIRS Reflective Solar Bands Calibration

NASA’s Clouds and the Earth’s Radiant Energy System (CERES) SYN1deg Ed4.1 product utilizes geostationary (GEO) satellite measured radiances and retrieved cloud properties to account for the regional diurnal fluctuations in the Earth’s radiant broadband fluxes for times between the CERES measurements gathered from the Aqua (1:30 PM) and Terra (10:30 AM) sun-synchronous satellites. In CERES Edition 4 products, a global uniformity in the cloud properties and computed surface fluxes across the GEO satellite domains is maintained by scaling the radiance observations from more than twenty GEO visible imagers in the CERES record to a common radiometric reference scale, i.e., Aqua-MODIS. With the new-generation GEO (Himawari-8/9 and GOES-16/17) imagers having multiple reflective solar bands (RSB) that are spectrally similar to those of VIIRS, the CERES Imager and Geostationary Calibration Group (IGCG) is preparing to use NOAA-20 VIIRS as the reference imager for maintaining the radiometric uniformity across the GEO imager constellation. Given the recent Aqua satellite anomaly, this transition may happen sooner than the projected date of Aqua’s de-orbit. This paper presents an independent performance evaluation of the first three years of the NOAA-20 VIIRS RSB calibration in the NASA VIIRS Land Science Investigator-led Processing System (Land SIPS) L1b Collection 2 dataset. The temporal radiometric stability is assessed using multiple invariant Earth targets, including tropical deep convective clouds and the Saharan desert. The invariant target anisotropic reflectance at the top of the atmosphere was modeled using five years of stable satellite observations acquired from the previous VIIRS instrument onboard the Suomi National Polar-orbiting Partnership (S-NPP) satellite. The anisotropic corrections are essential for detecting temporal trends with high statistical confidence. In addition, the radiometric consistency between the RSB of the two VIIRS instruments will be evaluated.

Rajendra Bhatt↗

NASA NTRS2020

KELT-9 b's Asymmetric TESS Transit Caused by Rapid Stellar Rotation and Spin-Orbit Misalignment

KELT-9 b is an ultra-hot Jupiter transiting a rapidly rotating, oblate early-A-type star in a polar orbit. We model the effect of rapid stellar rotation on KELT-9 b’s transit light curve using photometry from the Transiting Exoplanet Survey Satellite to constrain the planet’s true spin–orbit angle and to explore how KELT-9 b may be influenced by stellar gravity darkening. We constrain the host star’s equatorial radius to be 1.089±0.017 times as large as its polar radius and its local surface brightness to vary by∼38% between its hot poles and cooler equator. We model the stellar oblateness and surface brightness gradient and find that it causes the transit light curve to lack the usual symmetry around the time of minimum light. We take advantage of the light-curve asymmetry to constrain KELT-9b’s true spin–orbit angle (87degree+ -10degrees/-11degrees), agreeing with Gaudi et al. that KELT-9 b is in a nearly polar orbit. We also apply a gravity-darkening correction to the spectral energy distribution model from Gaudi et al. and find that accounting for rapid rotation gives a better fit to available spectroscopy and yields a more reliable estimate for the star’s polar effective temperature.

Exoplanets↗

NASA NTRS1987

Radial orbit error reduction and sea surface topography determination using satellite altimetry

A method is presented in satellite altimetry that attempts to simultaneously determine the geoid and sea surface topography with minimum wavelengths of about 500 km and to reduce the radial orbit error caused by geopotential errors. The modeling of the radial orbit error is made using the linearized Lagrangian perturbation theory. Secular and second order effects are also included. After a rather extensive validation of the linearized equations, alternative expressions of the radial orbit error are derived. Numerical estimates for the radial orbit error and geoid undulation error are computed using the differences of two geopotential models as potential coefficient errors, for a SEASAT orbit. To provide statistical estimates of the radial distances and the geoid, a covariance propagation is made based on the full geopotential covariance. Accuracy estimates for the SEASAT orbits are given which agree quite well with already published results. Observation equations are develped using sea surface heights and crossover discrepancies as observables. A minimum variance solution with prior information provides estimates of parameters representing the sea surface topography and corrections to the gravity field that is used for the orbit generation. The simulation results show that the method can be used to effectively reduce the radial orbit error and recover the sea surface topography.

Engelis, Theodossios↗

DOE OSTI2024

Monte Carlo Explicitly Correlated Second-Order Many-Body Green’s Function Calculations of Semiconductor Band Gaps

A systematically converging series of ab initio, post-density-functional, size-consistent, electron-correlated approximations is desired for predictive computing of felectronic band structures of insulating, semiconducting, and metallic solids. A series that meets all of these desiderata (except the applicability to metals) is ab initio many-body Green's function theory based on Gaussian-type-orbital (GTO) basis sets. Here, its leading-order approximation, the second-order Green's function (GF2) method in the diagonal and frequency-independent approximations with the aug-cc-pVDZ basis set, is applied to the fundamental band gaps of three semiconductors (diamond, silicon, and silicon carbide in the zincblende structure) using cluster models. Corrections are made to the basis-set-incompleteness errors by the explicit-correlation (F12) ansatz (GF2-F12) for the valence band edges. The crystals are modeled as surface-passivated clusters of increasing sizes, whose wave functions are expanded by up to 2709 GTO basis functions. Immense computational costs of these calculations are overcome by the highly scalable stochastic algorithm of the Monte Carlo GF2-F12 method, whose operation cost per state increases only as a cubic power of system size, which has a tiny memory footprint and easily achieves near-perfect parallel efficiency on thousands of CPUs or on hundreds of GPUs. The correlated, F12-corrected highest-occupied and lowest-unoccupied molecular-orbital energy (HOMO-LUMO) gap is 5.78 ± 0.07 eV for C 87 H 76 as compared with the experimental value of the fundamental (indirect) band gap of bulk diamond at 5.48 eV. The correlated, F12-corrected HOMO-LUMO gaps for Si 75 H 76 and Si 32 C 43 H 76 are 2.56 ± 0.15 eV and 3.50 ± 0.12 eV, respectively, which are expected to decrease further with increasing cluster sizes. As a result, the experimental fundamental (indirect) band gaps of bulk silicon and silicon carbide are 1.17 eV and 2.42 eV, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2019

First-Principles Approach to the Conductance of Covalently Bound Molecular Junctions

In this study, we develop a first-principles approach for accurate conductance calculations of covalently bound molecular junctions. Our approach extends the DFT+$Σ$ method, an approximate GW -based self-energy correction scheme acting on a tractable molecular subspace (based on a gas-phase reference of the same dimension) that corrects level alignment in the junction relative to density functional theory (DFT). We introduce a new extended gas-phase reference system, consisting of the molecule and several lead atoms, whose frontier orbitals maximally project onto the conducting orbitals of the junction. With this choice of reference, our self-energy correction to the Kohn–Sham Hamiltonian takes into account mixing of the gas-phase reference orbitals upon the formation of the junction. We apply our generalized DFT+$Σ$ approach to a series of alkane–chain junctions in which the molecules are covalently bound to the leads via carboxyl terminal groups. Our results lead to conductance values in quantitative agreement with experiment. We also revisit the well-studied Au–bipyridine–Au junction and show that we recover the original DFT+$Σ$ approach for relatively weak donor–acceptor molecule–lead binding.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Simplified tuning of long-range corrected density functionals for use in symmetry-adapted perturbation theory

Long considered a failure, second-order symmetry-adapted perturbation theory (SAPT) based on Kohn–Sham orbitals, or SAPT0(KS), can be resurrected for semiquantitative purposes using long-range corrected density functionals whose asymptotic behavior is adjusted separately for each monomer. Here, as in other contexts, correct asymptotic behavior can be enforced via “optimal tuning” based on the ionization energy theorem of density functional theory, but the tuning procedure is tedious, expensive for large systems, and comes with a troubling dependence on system size. Here, we show that essentially identical results are obtained using a fast, convenient, and automated tuning procedure based on the size of the exchange hole. In conjunction with “extended” (X)SAPT methods that improve the description of dispersion, this procedure achieves benchmark-quality interaction energies, along with the usual SAPT energy decomposition, without the hassle of system-specific tuning.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2013

RESONANT POST-NEWTONIAN ECCENTRICITY EXCITATION IN HIERARCHICAL THREE-BODY SYSTEMS

We study the secular, hierarchical three-body problem to first-order in a post-Newtonian expansion of general relativity (GR). We expand the first-order post-Newtonian Hamiltonian to leading-order in the ratio of the semi-major axis of the two orbits. In addition to the well-known terms that correspond to the GR precession of the inner and outer orbits, we find a new secular post-Newtonian interaction term that can affect the long-term evolution of the triple. We explore the parameter space for highly inclined and eccentric systems, where the Kozai-Lidov mechanism can produce large-amplitude oscillations in the eccentricities. The standard lore, i.e., that GR effects suppress eccentricity, is only consistent with the parts of phase space where the GR timescales are several orders of magnitude shorter than the secular Newtonian one. In other parts of phase space, however, post-Newtonian corrections combined with the three-body ones can excite eccentricities. In particular, for systems where the GR timescale is comparable to the secular Newtonian timescales, the three-body interactions give rise to a resonant-like eccentricity excitation. Furthermore, for triples with a comparable-mass inner binary, where the eccentric Kozai-Lidov mechanism is suppressed, post-Newtonian corrections can further increase the eccentricity and lead to orbital flips even when the timescale of the former is much longer than the timescale of the secular Kozai-Lidov quadrupole perturbations.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

Molecular Excited States: Accurate Calculation of Relative Energies and Electronic Coupling Between Charge Transfer and Non-Charge Transfer States

We show for a series of six small donor–acceptor dyads that the energy difference between non-charge transfer (non-CT) and charge transfer (CT) excited states, as well as the squares of the electronic couplings between these states, can be predicted from first-principles using variational orbital adapted configuration interaction singles (VOA-CIS) theory. VOA-CIS correctly predicts the observed experimental trends in these values and provides quantitative accuracy roughly on par with a modern long-range corrected density functional, ωB97X. Using VOA-CIS and ωB97X, the experimental energy difference between the non-CT and CT excited states is predicted with root mean squared errors of 0.22 eV and 0.21 eV, respectively. The square of the electronic coupling between these states is predicted with root mean squared errors of 0.08 eV 2 and 0.07 eV 2 , respectively. Here, orbital optimized CIS (OO-CIS) and CIS(D), two perturbative corrections to CIS, provide a significant correction to the errant relative energies predicted by CIS, but the correction is insufficient to recover the experimentally observed trend.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRSDate not supplied

An Observational Approach to Low Lunar Frozen Orbit Design

Low lunar frozen orbits can be used to enable long-duration missions at the Moon while also minimizing the fuel usage necessary for orbit maintenance. There is no analytical expression for determining these frozen orbits, so a high-fidelity simulation approach is required. A differential correction targeting approach was used to find initial conditions that zeroed out argument of periapsis and eccentricity growth. This approach was used during the Lunar Reconnaissance Orbiter extended mission period for four different frozen orbit instances. Observations of the evolution of key orbit elements (e.g. periapsis altitude and the eccentricity vector) led to an understanding of the orbit dynamics and helped to formulate a simple observational approach to finding frozen or quasi-frozen low lunar orbits that looks at minimizing the spread in the periselene altitude evolution.

Moon Frozen Orbit LRO↗

NASA NTRSDate not supplied

An Observational Approach to Low Lunar Frozen Orbit Design

Moon Frozen Orbit LRO↗