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DOE OSTI2024

Structural Asymmetry and Chiral-Induced Spin Selectivity in Chiral Palladium-Halide Semiconductors

Chiral Pb-free metal-halide semiconductors (MHSs) have attracted considerable attention in the field of spintronics due to various interesting spin-related properties and chiral-induced spin selectivity (CISS) effect. Despite their excellent chemical and structural tunability, the material scope and crystal structure of Pb-free chiral MHSs exhibiting the CISS effect are still limited; chiral MHSs that have metal-halide structures of octahedra and tetrahedra are only reported. Here, we report a new class of chiral MHSs, of which palladium (Pd)-halides are formed in 1D square-pyramidal structures or 0D square-planar structures, with a general formula of ((R/S-MBA) 2 PdBr 4 ) 1-x ((R/S-MBA) 2 PdCl 4 ) x (MBA = methylbenzylammonium; x = 0, 0.25, 0.5, 0.75, and 1) for the first time. The crystals adopt the 1D helical chain of Pd-halide square-pyramid (for x = 0, 0.25, 0.5, and 0.75) and 0D structure of Pd-halide square-plane (for x = 1). All the Pd-halides are distorted by the interaction between the halide and the chiral organic ammonium and arranged in a noncentrosymmetric position. Circular dichroism (CD) for ((R/S-MBA) 2 PdBr 4 ) 1-x ((R/S-MBA) 2 PdCl 4 ) x indicates that chirality was transferred from chiral organic ammonium to Pd-halide inorganics. ((R-MBA) 2 PdBr 4 ) 1-x ((R-MBA) 2 PdCl 4 ) x (x = 0, 0.25, 0.5, and 0.75) shows a distortion index of 0.127-0.128, which is the highest value among the previously reported chiral MHSs to the best of our knowledge. We also find that (R/S-MBA) 2 Pd(Br 1-x Cl x ) 4 crystals grow along the out-of-plane direction during spin coating and have high c-axis orientation and crystallinity, and (R/S-MBA) 2 Pd(Br 1-x Cl x ) 4 (x = 0 and 0.5) crystals exhibit a CISS effect in polycrystalline bulk films. In conclusion, these results demonstrate the possibility of a new metal-halide series with square-planar structures or square-pyramidal structures for future spintronic applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Transient methods for understanding the properties of strongly oxidizing radicals

This review discusses the properties of strongly oxidizing radicals in organic and aqueous media and highlights the challenges in obtaining accurate values of their reduction potentials. Transient redox equilibrium methods based on the use of strong photooxidants or initiated by pulse radiolysis are shown to provide versatile approaches for decoupling electron transfer reactions from follow-up reactivity of unstable radical species, resulting in accurate values of reduction potentials of very positive couples, including some solvent radical cations. Here, we also show that correlations of reduction potentials with Hammett Σσ + p parameters, as well as gas phase ionization potentials, can be used to estimate the redox properties of unknown couples within a homologous series of compounds. The effects of ion pairing and hemicolligation on redox properties of organic and inorganic radicals are also discussed.

14 SOLAR ENERGY↗

DOE OSTI2025

Hydrogen density mapping in biomolecular crystals through dynamic nuclear polarization

Many fundamental biological processes, including those in photosynthetic reaction centers and enzyme active sites, involve charge and energy transfer, bond cleavage, protonation and hydrogen bonding. Because H atoms play such central roles in these reactions, accurately determining their positions is essential. Yet, conventional X-ray crystallography primarily resolves the heavy atoms in biological structures and provides limited insight into hydrogen, even at atomic resolution. Neutron macromolecular crystallography (NMC) overcomes this limitation by offering exceptional sensitivity to hydrogen and deuterium. Here, we present a theoretical framework for the development of dynamic nuclear polarization NMC (DNP-NMC) techniques, which exploit the alignment of neutron and proton nuclear spins to enhance and tune the hydrogen signal contribution. The DNP-NMC approach advances the resolution of H atoms within biomolecular crystals, whether bound to protein residues or present in solvent. The method establishes key relationships for the coherent structure factor of polarized neutron scattering from hydrogenous matter. It theoretically achieves full accuracy in phase reconstruction and offers a path to improve neutron structure determination, achieving accuracies exceeding ≳80% by incorporating titration states. Using a variant of the hybrid input/output phase-retrieval algorithm, it allows recovery of the hydrogen density with ≳90% phase accuracy. In conclusion, we further discuss sources of experimental uncertainty for the upcoming DNP-enabled, quasi-Laue IMAGINE-X experiment at Oak Ridge National Laboratory's High Flux Isotope Reactor.

dynamic nuclear polarization↗

NASA NTRS1973

Survey of lake flooding from ERTS-1: Lake Champlain

The author has identified the following significant results. ERTS-1 imagery showing seasonal lake-level conditions in Lake-Champlain can be used to assess shoreline change and flooding extent. MSS bands 6 and 7 provide maximum land-water contrasts and are the most useful for shoreline location. Shoreline changes observed between ERTS coverages of October 10 (low water) and April 7 and 25 (high water) are readily apparent and enlargement of specific scenes by a factor of four provides data which can be transferred to a map base. The unique synoptic view provided by ERTS-1 will make it possible to map shoreline positions occurring at a specific lake stage. Due to present government concerns over abnormally high lake levels, resource management questions have been raised regarding the extent, nature, and occurrence of inundation magnitude of shoreline change, and lake volume change.

Lind, A. O.↗

NASA NTRS1974

Infrared remote sounding

Atmospheric radiation was measured as a function of wavelength, position, angle, and time. Radiation was determined by temperature, cloud (aerosol), composition, and surface emissivity measurements. The theory of radiative transfer is reviewed, along with retrieval methods. Instruments onboard space probes for infrared remote sounding of planetary atmospheres are also described.

Rodgers, C. D.↗

NASA NTRS1980

Estimating three-demensional energy transfer in isotropic turbulence

To obtain an estimate of the spectral transfer function that indicates the rate of decay of energy, an x-wire probe was set at a fixed position, and two single wire probes were set at a number of locations in the same plane perpendicular to the mean flow in the wind tunnel. The locations of the single wire probes are determined by pseudo-random numbers (Monte Carlo). Second order spectra and cross spectra are estimated. The assumption of isotropy relative to second order spectra is examined. Third order spectra are also estimated corresponding to the positions specified. A Monte Carlo Fourier transformation of the downstream bispectra corresponding to integration across the plane perpendicular to the flow is carried out assuming isotropy. Further integration is carried out over spherical energy shells.

Li, K. S.↗

NASA NTRS1985

Convoluted nozzle design for the RL10 derivative 2B engine

The convoluted nozzle is a conventional refractory metal nozzle extension that is formed with a portion of the nozzle convoluted to show the extendible nozzle within the length of the rocket engine. The convoluted nozzle (CN) was deployed by a system of four gas driven actuators. For spacecraft applications the optimum CN may be self-deployed by internal pressure retained, during deployment, by a jettisonable exit closure. The convoluted nozzle is included in a study of extendible nozzles for the RL10 Engine Derivative 2B for use in an early orbit transfer vehicle (OTV). Four extendible nozzle configurations for the RL10-2B engine were evaluated. Three configurations of the two position nozzle were studied including a hydrogen dump cooled metal nozzle and radiation cooled nozzles of refractory metal and carbon/carbon composite construction respectively.

Source record↗

NASA NTRS1990

Experimental studies of shock wave/wall jet interaction in hypersonic flow

The interaction between a planar shock wave and a wall jet produced by slot cooling in turbulent hypersonic flow was experimentally studied. Detailed distributions of heat transfer and pressure are obtained in the incident shock/wall jet interaction region for a series of shock strengths and impingement positions for two nozzle heights. The major result is that the cooling film could be readily dispersed by relatively weak incident shocks such that the peak heating in the recompression region was not significantly reduced by even the largest levels of film cooling. Regions of boundary layer separation were induced in the film cooling layer, the size of which first increased and then decreased with increasing film cooling. The size of the separated regions and magnitude of the recompression heating were not strongly influenced by the thickness of the cooling film or point of shock impingement relative to the exit plane of the nozzles.

Holden, Michael S.↗

NASA NTRS1991

Charge transfer during individual collisions in ice growing by riming

The charging of a target by riming in the wind was studied in the temperature range of (-10, -18 C). For each temperature, charge transfers of both signs are observed and, according to the environmental conditions, one of them prevails. The charge is more positive as the liquid water concentration is increased at any particular temperature. It is found that even at the low impact velocities used (5 m/s) there is abundant evidence of fragmentation following the collision.

Avila, Eldo E.↗

NASA NTRS1990

Robust control of systems with real parameter uncertainty and unmodelled dynamics

Two significant contributions have been made during this research period in the research 'Robust Control of Systems with Real Parameter Uncertainty and Unmodelled Dynamics' under NASA Research Grant NAG-1-1102. They are: (1) a fast algorithm for computing the optimal H(sub infinity) norm for the four-block, the two block, or the one-block optimal H(sub infinity) optimization problem; and (2) a construction of an optimal H infinity controller without numerical difficulty. In using GD (Glover and Doyle) or DGKF (Doyle, Glover, Khargonekar, and Francis) approach to solve the standard H infinity norm which required bisection search. In this research period, we developed a very fast iterative algorithm for this computation. Our algorithm was developed based on hyperbolic interpolations which is much faster than any existing algorithm. The lower bound of the parameter, gamma, in the H infinity Riccati equation for solution existence is shown to be the square root of the supremum over all frequencies of the maximum eigenvalue of a given transfer matrix which can be computed easily. The lower band of gamma such that the H infinity Riccati equation has positive semidefinite solution can be also obtained by hyperbolic interpolation search. Another significant result in this research period is the elimination of the numerical difficulties arising in the construction of an optimal H infinity controller by directly applying the Glover and Doyle's state-space formulas. With the fast iterative algorithm for the computation of the optimal H infinity norm and the reliable construction of an optimal H infinity controller, we are ready to apply these tools in the design of robust controllers for the systems with unmodelled uncertainties. These tools will be also very useful when we consider systems with structured uncertainties.

Chang, Bor-Chin↗

NASA NTRS1993

Zero-gyro control of the International Ultraviolet Explorer

The IUE was built for an anticipated lifespan of three years with a goal of five. It has been operating for over 15 years, even though it has had only two working gyros since August 17, 1985, through the use of a two-gyro attitude control system that uses information from IUE's fine sun sensor (FSS) and the two remaining gyros to provide three-axis control. A one-gyro control system that uses an additional axis of information from the FSS has been developed and tested on-orbit. The purpose of this paper is to discuss the work in progress towards the development of a zero-gyro control law for IUE. Motion about the sunline, which cannot be measured by the FSS, is measured and controlled in the zero-gyro system by applying a momentum bias perpendicular to the sunline and measuring the transfer of this momentum between the spacecraft reaction wheels, while the spacecraft is held in the other two axes using position and derived-rate information from the FSS.

O'Donnell, James R., Jr.↗

NASA NTRS1999

Study the Effects of Charged Particle Radiation on Gravitational Sensors in Space

Space-flight charging of free floating masses poses an unusual problem-- how can one control charge on the object without exerting a significant force on it? One approach is to make contact to the object with a fine wire. However, for many precision applications no physical contact is permissible, so charge must be conveyed in, a more sophisticated manner. One method has already been developed: Gravitational Probe B (GP-B) uses an ultraviolet photo-emission system described in ref 1. This system meets the experiment requirements, yet poses a number of constraints, including high power dissipation (approximately 10 W peak, approximately 1 W average), low current output (approximately 10(exp -13) A), and potential reliability problems associated with fiber optics system and the UV source. The aim of the current research is to improve this situation and, if possible, develop a more rugged and lower power alternative, usable in a wide range of situations. An potential alternative to the UV electron source is a Spindt-type field emission cathode. These consist of an array of extremely sharp silicon tips mounted in a standard IC package with provision for biasing them relative to the case potential. They are attractive as electron sources for space applications due to their low power consumption (10(exp -5) W), high current levels (10(exp -9) to 10(exp -5) A), and the absence of mechanical switching. Unfortunately, existing cathodes require special handling to avoid contamination and gas absorption. These contaminants can cause severe current fluctuations and eventual destruction of the cathode tips. Another potential drawback is the absence of any data indicating the possibility of bipolar current flow. This capability is needed because of the large uncertainties in the net charge transfer from cosmic rays to a free floating mass in space. More recent devices reduce the current fluctuations and destructive arcing by mounting the tips on a resistive substrate rather than a good conductor. This effectively wires a resistor to each individual tip, providing a current limit and thus greatly reducing the possibility of destructive arcing through an individual tip. An issue with this resistive layer is its range of operating temperatures. From the experience with the GP-B system, we hypothesized about using secondary electron emission for control of net charge transfer to an object. An important goal of the testing described below was to demonstrate the ability to apply both positive and negative charges to the test object from a single emitter.

Lipa, John A.↗

NASA NTRS2002

Site Distribution and Aliasing Effects in the Inversion for Load Coefficients and Geocenter Motion from GPS Data

Precise GPS measurements of elastic relative site displacements due to surface mass loading offer important constraints on global surface mass transport. We investigate effects of site distribution and aliasing by higher-degree (n greater than or equal 2) loading terms on inversion of GPS data for n = 1 load coefficients and geocenter motion. Covariance and simulation analyses are conducted to assess the sensitivity of the inversion to aliasing and mismodeling errors and possible uncertainties in the n = 1 load coefficient determination. We found that the use of center-of-figure approximation in the inverse formulation could cause 10- 15% errors in the inverted load coefficients. n = 1 load estimates may be contaminated significantly by unknown higher-degree terms, depending on the load scenario and the GPS site distribution. The uncertainty in n = 1 zonal load estimate is at the level of 80 - 95% for two load scenarios.

global positioning system↗

NASA NTRS2008

Ferroelectric Field-Effect Transistor Differential Amplifier Circuit Analysis

There has been considerable research investigating the Ferroelectric Field-Effect Transistor (FeFET) in memory circuits. However, very little research has been performed in applying the FeFET to analog circuits. This paper investigates the use of FeFETs in a common analog circuit, the differential amplifier. The two input Metal-Oxide-Semiconductor (MOS) transistors in a general MOS differential amplifier circuit are replaced with FeFETs. Resistors are used in place of the other three MOS transistors. The FeFET model used in the analysis has been previously reported and was based on experimental device data. Because of the FeFET hysteresis, the FeFET differential amplifier has four different operating modes depending on whether the FeFETs are positively or negatively polarized. The FeFET differential amplifier operation in the different modes was analyzed by calculating the amplifier voltage transfer and gain characteristics shown in figures 2 through 5. Comparisons were made between the FeFET differential amplifier and the standard MOS differential amplifier. Possible applications and benefits of the FeFET differential amplifier are discussed.

Phillips, Thomas A.↗

NASA NTRS2018

Software for Start-Ups: Introducing the NASA in Silicon Valley

Ames is in the unique position to cater to tech companies and start-ups in California's Silicon Valley. The majority of Ames' technology transfer is software, which is very attractive to newly developing companies in the Valley as they create their business plans and develop their technology portfolio structures. Ames is collaborating with several "accelerators", "incubators" and academic technology transfer programs to connect start-ups with the space agency's technologies and software. The ultimate goal is to enable successful businesses by harnessing the unique resources of the Silicon Valley entrepreneurial ecosystem, AND beyond! Note: All info is in the public domain.

Williams, Kimberly↗

NASA NTRS2018

Preliminary Aerodynamic Measurements from a Magnetic Suspension and Balance System in a Low-Speed Wind Tunnel

An existing Magnetic Suspension and Balance System (MSBS) has been restored to operation in a small (octagonal test section, 6-inches across flats) low-speed wind tunnel as the first phase of a project to develop new dynamic test capabilities for planetary entry capsules at supersonic speeds. The MSBS and associated wind tunnel were originally designed and built at MIT and were subsequently relocated to NASA Langley Research Center. NASA ceased operations of the system in the late 1990s and it was transferred to Old Dominion University where it had been mothballed until the present work started in 2015. All-new position sensor electronics, electromagnet power supplies, digital controller, and other hardware have been developed, leading to more efficient and reliable operation. Important features of the new hardware will be briefly described. Wind tunnel testing has commenced, focusing first on static aerodynamics of re-entry capsule shapes. Some preliminary results will be reviewed, including comparison to reference data. The proposed extension to dynamic stability testing, using a variety of free-to-pitch approaches will be described. Finally, the preliminary design of the all-new Phase II (supersonic) system will be briefly outlined.

Schoenenberger, Mark↗

NASA NTRSDate not supplied

Towards Autonomous Lunar Resource Excavation via Reinforcement Learning

To continue on a sustainable and flexible path, NASA needs to address the challenge of collecting and moving large amounts of regolith at the destination. NASA’s Regolith Advanced Surface Systems Operations Robot (RASSOR) is principally designed to mine and deliver regolith for In-Situ Resource Utilization (ISRU) processing. RASSOR’s design enables it to efficiently collect and deposit regolith, return collected material for processing, and myriad related ISRU activities. To reliably perform these operations on the lunar surface, RASSOR software and sensory systems need to be robust and maximize the information extracted from a reduced sensor payload. Herein, we present preliminary findings from the Intelligent Capabilities Enhanced RASSOR project. We created reduced-order simulation environments to develop autonomous trenching controllers via reinforcement learning and prototype state estimation architectures. The goal of reinforcement learning is for an agent to learn a policy (task strategy) through interactions with an environment. When the agent performs an action, a change occurs in environment state and a numerical reward is received which informs the agent whether the action performed was good or not. Since reinforcement learning algorithms learn through trial-and-error, a simulation is a desirable first environment for development and learning. We developed two simulations, the first is a 2D excavation simulation developed to facilitate parameter selection, and a 3D simulation developed using a game physics engine, to simulate simplified soil interactions and increase the fidelity of the dynamic models of the robotic agents. The development of this 3D simulation has enabled the training of additional sensing capabilities and research both at the granular mechanics and operations levels. We experimented with various virtual sensor payloads to identify a combination that enabled efficient excavation operation and learning. Our reward function is based on how much material is excavated per step. A penalty is also received for leaving the dig site and to smooth the acceleration of the drum arms. We implemented pseudo time-of-flight sensors to report distance from each drum to ground and the height above ground which was found to be more efficient than existing solutions. Our findings suggest that reinforcement learning for autonomous operations has learned viable trenching strategies within 3000 training episodes in our simplified 2D environment and helped identify desirable sensing capabilities, arrangements, and considerations such as the positioning of time-of-flight sensors. Future work includes expanding our simulation to more complex environments and scenarios, and transfer learning from simulation to RASSOR 2.0 hardware for deployment in the Regolith Test Bin at NASA's Kennedy Space Center.

rassor↗

NASA NTRSDate not supplied

Increasing Cognitive Ability/Reserve Using Software – Pilot (ICARUS-Pilot)

BACKGROUND This research study was competitively awarded under the 2022 JSC Innovation Charge Account (ICA) program administered by NASA Johnson Space Center’s Joint Technology Working Group. Study period of performance was May through September 2022, with a maximum allowed procurement budget of $10K. The study sought to quantify and assess the potential benefit of using commercial-off-the-shelf (COTS) cognitive training software to improve cognitive performance in an astronaut-like terrestrial population. METHODS Five volunteer research participants were recruited from the JSC employee population to mimic certain demographic characteristics of the NASA astronaut population (age, education/discipline). Participant cognitive performance was assessed before and after executing eighteen sessions of remote cognitive training executed nominally three times per week using six exercises within an adaptive app-based COTS software package (BrainHQ, Posit Science) on study-provided tablets. Pre- and post-training cognitive performance was measured using internal assessments in BrainHQ as well as Cognition Test Battery (CTB) version ISS B01 v3 (3.0.9-201710021500), an independent software test developed specifically for NASA and used currently in research studies on astronauts. BrainHQ exercises were posited to map well or partially to several CTB sub-tests. Participants provided feedback on their study experience formally via semi-structured interview at the conclusion of testing and informally throughout the study if they encountered issues. RESULTS The enrolled ICARUS-Pilot study participants generally matched Artemis crew demographic characteristics. Four of five participants have completed study training and assessment activities as of the writing of this abstract. These test participants complied well with desired training session frequency and duration yielding an average cumulative active training duration of 15 hours over an average of 45 days; participants showed 78% average improvement in metric performance for the six trained exercises, with an associated overall 33%ile ranking increase against performance of the entire BrainHQ subscribing population for internal pre/post assessment, agreeing with post-study survey self-reported performance increases. CTB overall feedback scoring, not corrected for learning effects, showed an average of 19% performance improvement across its 10 performance measures over the training period for the completed participants. Detailed analyses will be conducted once participant data collection for the study is complete and the resulting dataset is fully populated. DISCUSSION These preliminary results provide a positive trend for the effectiveness of the training approach, but further analysis will be needed to establish significance, investigate far transfer, and suggest the needed participant pool size for subsequent efforts to achieve statistically significant outcomes given similar results. The pilot study has already been helpful by allowing the study team to learn a great deal about the capabilities and limitations of the COTS software package that will be reflected in future proposals along with revised timelines for study execution and test participant management. From participant feedback, one common thread regarding the COTS training was that it felt overly repetitive – future proposals should reassess overall training duration, available levels for each trained exercise, and the behavior of the BrainHQ internal scheduler in determining which exercises should be trained and for how long. If the final analysis of this feasibility study ultimately supports it, the study team will recommend further investigation to fully evaluate this potential countermeasure and optimize its implementation. Future proposals would cite this feasibility study’s outcome and would seek to refine the training protocol and obtain statistically significant results for cognitive performance increases as well as retention data.

cognitive training↗