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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2011

Solar Dynamics Observatory On-Orbit Jitter Testing, Analysis, and Mitigation Plans

The Solar Dynamics Observatory (SDO) was designed to understand the Sun and the Sun s influence on Earth. SDO was launched on February 11, 2010 carrying three scientific instruments: the Atmospheric Imaging Assembly (AIA), the Helioseismic and Magnetic Imager (HMI), and the Extreme Ultraviolet Variability Experiment (EVE). Both AIA and HMI are sensitive to high frequency pointing perturbations and have sub-arcsecond level line-of-sight (LOS) jitter requirements. Extensive modeling and analysis efforts were directed in estimating the amount of jitter disturbing the science instruments. To verify the disturbance models and to validate the jitter performance prior to launch, many jitter-critical components and subassemblies were tested either by the mechanism vendors or at the NASA Goddard Space Flight Center (GSFC). Although detailed analysis and assembly level tests were performed to obtain good jitter predictions, there were still several sources of uncertainties in the system. The structural finite element model did not have all the modes correlated to test data at high frequencies (greater than 50 Hz). The performance of the instrument stabilization system was not known exactly but was expected to be close to the analytical model. A true disturbance-to-LOS observatory level test was not available due to the tight schedule of the flight spacecraft, the cost in time and manpower, difficulties in creating gravity negation systems, and risks of damaging flight hardware. To protect the observatory jitter performance against model uncertainties, the SDO jitter team devised several on-orbit jitter reduction plans in addition to reserve margins on analysis results. Since some of these plans severely restricted the capabilities of several spacecraft components (e.g. wheels and High Gain Antennas), the SDO team performed on-orbit jitter tests to determine which jitter reduction plans, if any, were necessary to satisfy science LOS jitter requirements. The SDO on-orbit jitter tests were designed to satisfy the following four objectives: 1. Determine the acceptable reaction wheel operational speed range during Science Mode. 2. Determine HGA algorithm jitter parameters (number of stagger steps and enable/disable no-steprequests). 3. Determine acceptable EVE instrument filter wheels spin rates. 4. Determine if AIA instrument filter wheels excite the first AIA telescope structural mode. This paper provides detailed information on the SDO wheel jitter test plan, shows on-orbit jitter measurements and how ground predictions compare to those measurements, and describes the final jitter mitigation plan executed on SDO.

Liu, Kuo-Chia (Alice)↗
NASA NTRS2011

A New Limit on Planck Scale Lorentz Violation from Gamma-ray Burst Polarization

Constraints on possible Lorentz invariance violation (UV) to first order in E/M(sub Plank) for photons in the framework of effective field theory (EFT) are discussed, taking cosmological factors into account. Then. using the reported detection of polarized soft gamma-ray emission from the gamma-ray burst GRB041219a that is indicative' of an absence of vacuum birefringence, together with a very recent improved method for estimating the redshift of the burst, we derive constraints on the dimension 5 Lorentz violating modification to the Lagrangian of an effective local QFT for QED. Our new constraints are more than five orders of magnitude better than recent constraints from observations of the Crab Nebula.. We obtain the upper limit on the Lorentz violating dimension 5 EFT parameter absolute value of zeta of 2.4 x 10(exp -15), corresponding to a constraint on the dimension 5 standard model extension parameter. Kappa (sup 5) (sub (v)oo) much less than 4.2 X 10(exp -3)4 / GeV.

Stecker, Floyd W.↗
NASA NTRS2013

Hypersonic Inflatable Aerodynamic Decelerator (HIAD) Technology Development Overview

The successful flight of the Inflatable Reentry Vehicle Experiment (IRVE)-3 has further demonstrated the potential value of Hypersonic Inflatable Aerodynamic Decelerator (HIAD) technology. This technology development effort is funded by NASA's Space Technology Mission Directorate (STMD) Game Changing Development Program (GCDP). This paper provides an overview of a multi-year HIAD technology development effort, detailing the projects completed to date and the additional testing planned for the future. The effort was divided into three areas: Flexible Systems Development (FSD), Mission Advanced Entry Concepts (AEC), and Flight Validation. FSD consists of a Flexible Thermal Protection Systems (FTPS) element, which is investigating high temperature materials, coatings, and additives for use in the bladder, insulator, and heat shield layers; and an Inflatable Structures (IS) element which includes manufacture and testing (laboratory and wind tunnel) of inflatable structures and their associated structural elements. AEC consists of the Mission Applications element developing concepts (including payload interfaces) for missions at multiple destinations for the purpose of demonstrating the benefits and need for the HIAD technology as well as the Next Generation Subsystems element. Ground test development has been pursued in parallel with the Flight Validation IRVE-3 flight test. A larger scale (6m diameter) HIAD inflatable structure was constructed and aerodynamically tested in the National Full-scale Aerodynamics Complex (NFAC) 40ft by 80ft test section along with a duplicate of the IRVE-3 3m article. Both the 6m and 3m articles were tested with instrumented aerodynamic covers which incorporated an array of pressure taps to capture surface pressure distribution to validate Computational Fluid Dynamics (CFD) model predictions of surface pressure distribution. The 3m article also had a duplicate IRVE-3 Thermal Protection System (TPS) to test in addition to testing with the Aerocover configuration. Both the Aerocovers and the TPS were populated with high contrast targets so that photogrammetric solutions of the loaded surface could be created. These solutions both refined the aerodynamic shape for CFD modeling and provided a deformed shape to validate structural Finite Element Analysis (FEA) models. Extensive aerothermal testing has been performed on the TPS candidates. This testing has been conducted in several facilities across the country. The majority of the testing has been conducted in the Boeing Large Core Arc Tunnel (LCAT). HIAD is continuing to mature testing methodology in this facility and is developing new test sample fixtures and control methodologies to improve understanding and quality of the environments to which the samples are subjected. Additional testing has been and continues to be performed in the NASA LaRC 8ft High Temperature Tunnel, where samples up to 2ft by 2ft are being tested over representative underlying structures incorporating construction features such as sewn seams and through-thickness quilting. With the successful completion to the IRVE-3 flight demonstration, mission planning efforts are ramping up on the development of the HIAD Earth Atmospheric Reenty Test (HEART) which will demonstrate a relevant scale vehicle in relevant environments via a large-scale aeroshell (approximately 8.5m) entering at orbital velocity (approximately 7km/sec) with an entry mass on the order of 4MT. Also, the Build to Print (BTP) hardware built as a risk mitigation for the IRVE-3 project to have a "spare" ready to go in the event of a launch vehicle delivery failure is now available for an additional sub-orbital flight experiment. Mission planning is underway to define a mission that can utilize this existing hardware and help the HIAD project further mature this technology.

Hughes, Stephen J.↗
NASA NTRS2016

Visible-Light-Responsive Photocatalysis: Ag-Doped TiO2 Catalyst Development and Reactor Design Testing

In recent years, the alteration of titanium dioxide to become visible-light-responsive (VLR) has been a major focus in the field of photocatalysis. Currently, bare titanium dioxide requires ultraviolet light for activation due to its band gap energy of 3.2 eV. Hg-vapor fluorescent light sources are used in photocatalytic oxidation (PCO) reactors to provide adequate levels of ultraviolet light for catalyst activation; these mercury-containing lamps, however, hinder the use of this PCO technology in a spaceflight environment due to concerns over crew Hg exposure. VLR-TiO2 would allow for use of ambient visible solar radiation or highly efficient visible wavelength LEDs, both of which would make PCO approaches more efficient, flexible, economical, and safe. Over the past three years, Kennedy Space Center has developed a VLR Ag-doped TiO2 catalyst with a band gap of 2.72 eV and promising photocatalytic activity. Catalyst immobilization techniques, including incorporation of the catalyst into a sorbent material, were examined. Extensive modeling of a reactor test bed mimicking air duct work with throughput similar to that seen on the International Space Station was completed to determine optimal reactor design. A bench-scale reactor with the novel catalyst and high-efficiency blue LEDs was challenged with several common volatile organic compounds (VOCs) found in ISS cabin air to evaluate the system's ability to perform high-throughput trace contaminant removal. The ultimate goal for this testing was to determine if the unit would be useful in pre-heat exchanger operations to lessen condensed VOCs in recovered water thus lowering the burden of VOC removal for water purification systems.

Photocatalysis↗
NASA NTRS2019

Electric Sail Tether Deployment System for CubeSats

An Electric Sail (E-Sail) propulsion system consists of long, thin tethers - positively-charged wires extending radially and symmetrically outward from a spacecraft. Tethers must be biased using a high-voltage power supply to ensure that the solar wind produces thrust. While the E-Sail concept shows great promise for flying heliopause missions with higher characteristic acceleration than solar sails, there are significant technical challenges related to deploying and controlling multiple tethers. A typical full-scale design involves a hub and spoke arrangement of 10 to 100 tethers, each 20 km long. In the last 20 years, there have been multiple space mission failures due to tether deployment and control issues, and most configurations involved a single tether. This paper describes an effort to develop and test a simple yet robust single-tether deployment system for a two-6U CubeSat configuration. The project included the following: a) Tether dynamic modeling/simulation b) E-Sail single-tether prototype development and testing c) Space environmental effects testing to identify best materials for further development. These three areas of investigation were needed to provide technical rationale for an E-Sail flight demonstration mission that is expected to be proposed for the 2022 time frame. The project team used an “agile” engineering approach in which E-Sail single-tether prototype designs were iteratively developed and tested to solve problems and identify design improvements. The agile approach was ideal for this low Technology Readiness Level (TRL) project because tether deployer development involved many unknowns in prototype development that could only be discovered through iterative cycles of construction and testing. Extensive modeling and simulation were accomplished for three types of tether deployment: a) Stage 1: propulsive separation with one 6U fixed b) Stage 2: propulsive spin-up with one 6U fixed c) Stage 3: propulsive spin-up with both 6Us free Simulation results were valuable for understanding the propulsive and braking forces needed for controlled tether deployment. This paper describes the evolution, insights, and test/ performance data related to the resultant single-tether two-6U E-Sail test article which has been demonstrated in a test laboratory. The development effort suggests near-term work needed to achieve a useful flight demonstration, and provides ideas for how multiple-tether deployment systems might evolve going forward. A planned next-generation E-Sail prototype will include autonomous propulsive tether deployment while monitoring tether tension, location on the floor, distance between tether ends, acceleration, velocity, and propellant used.

Tinker, Michael↗
NASA NTRS2016

Transient Thermal Analysis of the 12.5 KW HERMeS Hall Thruster

NASA’s Dawn spacecraft entered orbit around the dwarf planet Ceres on March 6, 2015 thereby becoming the first mission to orbit two celestial bodies outside of the Earth-moon system. This feat was made possible due to the use of electric propulsion (EP) to provide the 11 km/s of delta-V that was necessary. This type of propulsion is also enabling for many of NASA’s future missions, such as the proposed Asteroid Redirect Robotic Mission (ARRM). Specifically, the Hall Effect Rocket with Magnetic Shielding (HERMeS) is the propulsive design baseline due to its long operational lifetime and high specific impulse. Extensive modeling is required to verify the thruster's predicted thermal performance and survival during the bounding mission phases. Since the thruster would constrain plasma on the order of tens of thousands of hours, components in the thruster must be able to accommodate much higher sustained temperatures than typical spacecraft hardware. Furthermore, the high temperatures necessitate care in analyzing thermal gradients within the thruster. In this paper, we describe a thermal model of the HERMeS thruster and focus upon the thruster's transient performance under different initial firing conditions. The thruster's transient thermal response is critical to verify margin in the thermal stresses inherent in the thruster and to determine safe start-up procedures to protect the thruster's critical components. This model is used to perform transient thermal analysis of the thruster during startup and shutdown, provide temperature maps for structural analysis, and plan for thermal cycle testing conducted at JPL. The thermal cycle testing includes thruster starts at the cold temperature limits and operation at maximum expected external heat flux. This work will support laboratory environmental testing of the HERMeS thruster, which is being conducted at JPL in 2016.

Reilly, Sean↗
NASA NTRS2020

Evidence for a Stratified Upper Mantle Preserved within the South Pole - Aitken Basin

The evolution and compositional structure of the lunar mantle has been extensively modeled but insufficiently constrained by observations. Here, we identify and characterize mantle materials exposed by the Moon's largest impact basin to better understand the composition, stratigraphy, and evolution of the upper mantle. The vast South Pole-Aitken Basin (SPA) exhibits a broad, crescent-shaped thorium and potassium distribution. These incompatible elements are predicted to be concentrated in the dregs of the lunar magma ocean during end-stage crystallization. Through consideration of basin formation models convolved with subsequent geologic evolution, we demonstrate that the distribution and implied stratigraphy of Th- and K-bearing materials across SPA are consistent with an upper mantle ejecta origin. The most pristine exposures of these materials are confined to northwest SPA and also exhibit elevated Ti and Fe (relative to the farside highlands) in association with a gabbronoritic mineralogy. This is consistent with latestage magma ocean assemblages predicted by petrologic models. In contrast, SPA impact melt derived from greater depths is associated with a low-Ca pyroxene-dominated assemblage. Together, these compositional patterns are evidence for a stratified ancient upper mantle. Importantly, the incompatible-element-enriched, ilmenite-bearing ferroan gabbronoritic cumulates evidently had not participated in gravitational overturn at the time of SPA formation. Contrary to recent hypotheses invoking nearside sequestration of incompatible elements to explain hemispherical differences in crustal building and volcanic resurfacing, it follows that incompatible elements were globally distributed in the magma ocean at the time of SPA formation.

Lunar dichotomy↗
NASA NTRS2018

Numerically Optimized Coronagraph Designs for the Habitable Exoplanet Imaging Mission (HabEx) Concept

The primary science goal of the Habitable Exoplanet Imaging Mission (HabEx), one of four candidate flagship missions under investigation, is to image and spectrally characterize Earth-like exoplanets. It is well known that pupil obscurations degrade coronagraphic performance and complicate coronagraph design, so HabEx is planned to have an off-axis, unobscured primary mirror. We utilize the circular symmetry of the aperture to investigate 1D-radial coronagraph optimization methods that are prohibitively time-consuming or intractable in 2D, such as diffractive pupil remapping and concurrent, multi-plane optimization. We also directly constrain sensitivities to dynamic, low-order Zernike aberrations, which are separable in polar coordinates and can thus be propagated as 1D-radial integrals. The mask technologies in our designs claim heritage from the extensive modeling and testbed experiments performed by the Wide-Field Infrared Survey Telescope (WFIRST) Coronagraph Instrument (CGI) project. In this paper, we detail our optimization methods and outline future work to complete our design survey.

Balasubramaian, Kunjithapatham↗
DOE OSTI2021

EXPERIMENTAL STUDIES OF NONLINEAR INTEGRABLE OPTICS

State-of-the-art accelerators at energy and intensity frontiers require increasingly bright and powerful particle beams. In conventional linear lattices, intense beams suffer from collective instabilities, resulting in beam losses and maximum beam intensity limits. This thesis presents experimental studies of a novel lattice design concept, the nonlinear integrable optics (NIO), aimed at enhancing beam stability limits with little to no beam dynamics degradation. Single-particle beam dynamics measurements of two NIO devices, the quasi-integrable octupole system and the fully integrable Danilov-Nagaitsev system, were carried out at the purpose-built Integrable Optics Test Accelerator (IOTA) at Fermilab. Their simulation, hardware design, and commissioning process are presented. Extensive model and analysis algorithm development and benchmarking is described. Electron beam data from two scientific runs is analyzed, yielding frequency and phase space dynamics consisten t with m odels. These results demonstrate viability and advantages of the NIO design, providing the groundwork for proton studies in the strong space-charge regime and future integrable accelerators.

Kuklev, Nikita↗
DOE OSTI2021

Search for CPT and Lorentz invariance violation in the muon $g -2$ experiment at Fermilab

The Muon g-2 experiment at Fermilab (E989) aims to measure the anomalous magnetic moment of the muon, $a_{\mu}= (g-2)/2$, to a groundbreaking precision of $140$ ppb, obtaining a near four-fold increase in precision over the previous experiment, E821, at the Brookhaven National Laboratory (BNL). The value of $a_{\mu}$ from BNL currently differs from the Standard Model prediction by $\sim 3.7$ standard deviations, suggesting the potential for new physics and therefore, motivating a new experiment.Because the theory predicts this number with high precision, testing the g-factor through experiment provides a stringent test of the SM and can suggest physics beyond the Standard Model. The goal of the Fermilab Muon $g-2$ experiment is to increase the statistical precision by more than a factor of 20 and reduce systematic errors by a factor of 3. By measuring muon precession rate ($\omega_a$) in an external magnetic field, the anomalous magnetic moment will be calculated. This is an incredibly challenging experiment with a unique opportunity to provide new insight into nature. \\ The $g-2$ data also provides a great opportunity for setting the most stringent limits on some of the Standard Model Extension CPT Lorentz violating (LV) parameters in the muon sector. One of the CPT and Lorentz violating signatures that we can look for using $g-2$ data is a sidereal variation of $\omega_a(t)$. Extensive simulation studies confirm that the sensitivity regarding the sidereal varation roughly scales with $\omega_a$ uncertainty. Hence, the $g-2$ experiment at FNAL should be able to reach limits of $\sim 5\times10^{-25}$ GeV. Because the CPT and LV analyses are essentially studies of variations in $\omega_a$ as a function of time and charge, performing an $\omega_a$ analysis sets the stage for the CPT and LV measurement. This dissertation focuses on the methodology of a fully functioning framework and analyzing the Fermilab Muon $g - 2$ Run 2 data containing $\sim 11$ billion events above an energy threshold of $1.7$~GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Electrochemical Characterization of Molten Salt Chemistry During Atmospheric Ingressions

This report describes the salt chemistry and sedimentation studies that were completed in FY23 as part of the Pyrochemical Fuel Cycles – ANL project. The primary objective of these activities was to employ electrochemical methods in order to quantify and gain insights into the reaction mechanisms associated with the interaction of O2 and moisture impurities with the molten chloride salts used for the pyrochemical processing of nuclear materials. If not monitored and controlled, the ingression of these atmospheric impurities can lead to changes in the salt redox conditions and initiate the formation of oxide particles, potentially resulting in operational and safeguards challenges. By elucidating the mechanisms underlying the formation of oxide particles, we can effectively monitor the conditions of the salt and design systems to mitigate the influence of atmospheric O2 and H2O. To achieve these goals, we designed a test system that allowed for precisely controlled gas ingressions into the molten salt vessel. This system included on-line monitoring provided by electrochemical probes that enable near real-time measurements of the salt conditions throughout the course of the experiment. Using this system, we systematically varied experimental conditions, including O2/Ar flow rates and O2 concentrations, to comprehensively understand their impact on solid particle formation. We also used a particle size and shape analyzer to characterize the particles that were generated. Tests in FY23 concentrated on the formation of CeO2 particles, but we also prepared a separate apparatus targeting UO2 particles for use in FY24. We additionally conducted extensive modeling activities in support of this work. This included multiphysics simulations of the gas ingressions along with the development of a machine learning workflow to enable accelerated molecular dynamics modeling of the molten salt chemistry of LiCl-KCl-UCl3. The combination of experimental and modeling tools has allowed us to begin to get a more complete understanding of the reactions that occur when atmospheric ingressions occur in pyroprocessing systems.

Guo, Jicheng↗
NASA NTRS2014

NASA Common Research Model Test Envelope Extension With Active Sting Damping at NTF

The NASA Common Research Model (CRM) high Reynolds number transonic wind tunnel testing program was established to generate an experimental database for applied Computational Fluid Dynamics (CFD) validation studies. During transonic wind tunnel tests, the CRM encounters large sting vibrations when the angle of attack approaches the second pitching moment break, which can sometimes become divergent. CRM transonic test data analysis suggests that sting divergent oscillations are related to negative net sting damping episodes associated with flow separation instability. The National Transonic Facility (NTF) has been addressing remedies to extend polar testing up to and beyond the second pitching moment break point of the test articles using an active piezoceramic damper system for both ambient and cryogenic temperatures. This paper reviews CRM test results to gain understanding of sting dynamics with a simple model describing the mechanics of a sting-model system and presents the performance of the damper under cryogenic conditions.

Rivers, Melissa B.↗
DOE OSTI2022

Persistent, extensive channelized drainage modeled beneath Thwaites Glacier, West Antarctica

Abstract. Subglacial hydrology is a leading control on basal friction and the dynamics of glaciers and ice sheets. At low discharge, subglacial water flows through high-pressure, sheet-like systems that lead to low effective pressures. However, at high discharge, subglacial water melts the overlying ice into localized channels that efficiently remove water from the bed, thereby increasing effective pressure and basal friction. Recent observations suggest channelized subglacial flow exists beneath Thwaites Glacier, yet it remains unclear if stable channelization is feasible in West Antarctica, where surface melting is nonexistent and water at the bed is limited. Here, we use the MPAS-Albany Land Ice model to run a suite of over 130 subglacial hydrology simulations of Thwaites Glacier across a wide range of physical parameter choices to assess the likelihood of channelization. We then narrow our range of viable simulations by comparing modeled water thicknesses to previously observed radar specularity content, which indicates flat, spatially extensive water bodies at the bed. In all of our data-compatible simulations, stable channels reliably form within 100–200 km of the grounding line and reach individual discharge rates of 35–110 m3 s−1 at the ice–ocean boundary. While only one to two channels typically form across the 200 km width of the glacier in our simulations, their high efficiency drains water across the entire lateral extent of the glacier. We posit the large catchment size of Thwaites Glacier, its funnel-like geometry, and high basal melt rates together accumulate enough water to form stable channels. No simulations resembled observed specularity content when channelization was disabled. Our results suggest channelized subglacial hydrology has two consequences for Thwaites Glacier dynamics: (i) amplifying submarine melting of the terminus and ice shelf while (ii) simultaneously raising effective pressure within 100 km of the grounding line and increasing basal friction. The distribution of effective pressure implied from our modeling differs from parameterizations typically used in large-scale ice sheet models, suggesting the development of more process-based parameterizations may be necessary.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Modelling multiple occurrences of activities during a day: An extension of the MDCEV model

The increased interest in time use among transport researchers has led to a search for flexible but tractable models of time use, such as Bhat's Multiple Discrete Continuous Extreme Value (MDCEV) model. MDCEV formulations typically model aggregate time allocation into different activity types during a given period, such as the amount of time spent working and shopping in a day. While these applications provide valuable insights into activity participation, they ignore disaggregate activity-episodes, that is the fact that people might split their total time spent working in multiple separate blocks, with breaks or other activities in between. Insights into this splitting into episodes are necessary for predicting trips and understanding time use satiation. We propose a modified MDCEV model where an activity-episode, rather than an activity type, is the basic choice alternative, using a modified utility function to capture the reduced likelihood of individuals performing a very large number of episodes of the same activity. Results from two large revealed preference datasets exhibit equivalent forecast accuracy between the traditional and proposed approach at an aggregate level, but the latter also provides insights on the number and duration of activity-episodes with significant accuracy.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

A modular and extensible CHARMM-compatible model for all-atom simulation of polypeptoids

Peptoids (N-substituted glycines) are a class of sequence-defined synthetic peptidomimetic polymers with applications including drug delivery, catalysis, and biomimicry. Classical molecular simulations have been used to predict and understand the conformational dynamics of single chains and their self-assembly into morphologies including sheets, tubes, spheres, and fibrils. The CGenFF-NTOID model based on the CHARMM General Force Field has demonstrated success in accurate all-atom molecular modeling of peptoid structure and thermodynamics. Extension of this force field to new peptoid side chains has historically required reparameterization of side chain bonded interactions against ab initio data. This fitting protocol improves the accuracy of the force field but is also burdensome and precludes modular extensibility of the model to arbitrary peptoid sequences. In this work, we develop and demonstrate a Modular Side Chain CGenFF-NTOID (MoSiC-CGenFF-NTOID) as an extension of CGenFF-NTOID employing a modular decomposition of the peptoid backbone and side chain parameterizations, wherein arbitrary side chains within the large family of substituted methyl groups (i.e., –CH 3 , –CH 2 R, –CHRR', and –CRR'R") are directly ported from CGenFF. We validate this approach against ab initio calculations and experimental data to develop a MoSiC-CGenFF-NTOID model for all 20 natural amino acid side chains along with 13 commonly used synthetic side chains and present an extensible paradigm to efficiently determine whether a novel side chain can be directly incorporated into the model or whether refitting of the CGenFF parameters is warranted. We make the model freely available to the community along with a tool to perform automated initial structure generation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1997

Azimuthal Patterns of the Radiated Sound Field from a Turbofan Model

The azimuthal directivity of a scale fan model was measured extensively. The model is a 12 inch diameter fan with 16 rotors and 40 stator vanes and tests were done at a tip speed of 905 ft/sec. Tests were conducted in an anechoic chamber with an inflow control device installed on the stationary fan model. The acoustic far field of the fan was surveyed with a circular hoop, with a diameter of six fan diameters, centered on the fan axis and was moved along the fan axis at polar angles from 20 to 110 degrees in increments of 10 degrees. The hoop, with 16 microphones evenly spaced at intervals of 22.5 degrees was rotated in 24 increments in the azimuthal direction for a total 384 points. From this extensive mapping of the directivity it is shown that the azimuthal directivity of the fundamental and first two harmonics is significant and can vary up to 15 dB. The broadband can also have an azimuthal directivity with as much as a 4 dB variation. A theory is proposed with relates the radiated modes with the generation of the far field patterns which produce the azimuthal directivity.

Thomas, R. H.↗
DOE OSTI2023

Interpretable, Extensible Linear Regression Model for Electron Density Prediction

This code allows us to generate a model to predict ground state electron densities directly from atomic structure thereby bypassing the need to perform direct DFT calculations. It is based on many body correlation descriptors defined in https://arxiv.org/abs/2004.14442 (IM release numbers: LLNL-JRNL- 808791 and LLNL-JRNL-840698). The code reads in electron densities, in CHGCAR format used by the DFT code VASP, calculates many-body correlation descriptors based on atoms surrounding a grid point and then uses linear regression to obtain the fitting parameters.

Kumar, Shashikant↗