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At least 739 records · Page 41

Performance and Self-Consistency of the Generalized Dielectric Dependent Hybrid Functional

Here, we analyze the performance of the recently proposed screened exchange constant functional (SX) on the GW100 test set, and we discuss results obtained at different levels of self-consistency. The SX functional is a generalization of dielectric dependent hybrid functionals to finite systems; it is nonempirical and depends on the average screening of the exchange interaction. We compare results for ionization potentials obtained with SX to those of CCSD(T) calculations and experiments, and we find excellent agreement, on par with recent state of the art methods based on many body perturbation theory. Applying SX perturbatively to correct PBE eigenvalues yields improved results in most cases, except for ionic molecules, for which wave function self-consistency is instead crucial. Calculations where wave functions and the screened exchange constant (α SX ) are determined self-consistently, and those where α SX is fixed to the value determined within PBE, yield results of comparable accuracy. Perturbative G 0 W 0 corrections of eigenvalues obtained with self-consistent αSX are small on average, for all molecules in the GW100 test set.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Understanding the many-body expansion for large systems. III. Critical role of four-body terms, counterpoise corrections, and cutoffs

Papers I and II in this series [R. M. Richard et al., J. Chem. Phys. 141, 014108 (2014); K. U. Lao et al., ibid. 144, 164105 (2016)] have attempted to shed light on precision and accuracy issues affecting the many-body expansion (MBE), which only manifest in larger systems and thus have received scant attention in the literature. Many-body counterpoise (CP) corrections are shown to accelerate convergence of the MBE, which otherwise suffers from a mismatch between how basis-set superposition error affects subsystem versus supersystem calculations. In water clusters ranging in size up to (H2O)37, four-body terms prove necessary to achieve accurate results for both total interaction energies and relative isomer energies, but the sheer number of tetramers makes the use of cutoff schemes essential. To predict relative energies of (H2O)20 isomers, two approximations based on a lower level of theory are introduced and an ONIOM-type procedure is found to be very well converged with respect to the appropriate MBE benchmark, namely, a CP-corrected supersystem calculation at the same level of theory. Results using an energy-based cutoff scheme suggest that if reasonable approximations to the subsystem energies are available (based on classical multipoles, say), then the number of requisite subsystem calculations can be reduced even more dramatically than when distance-based thresholds are employed. The end result is several accurate four-body methods that do not require charge embedding, and which are stable in large basis sets such as aug-cc-pVTZ that have sometimes proven problematic for fragment-based quantum chemistry methods. Even with aggressive thresholding, however, the four-body approach at the self-consistent field level still requires roughly ten times more processors to outmatch the performance of the corresponding supersystem calculation, in test cases involving 1500–1800 basis functions.

74 ATOMIC AND MOLECULAR PHYSICS↗

Deep potential generation scheme and simulation protocol for the Li 10 GeP 2 S 12 -type superionic conductors

We report solid-state electrolyte materials with superior lithium ionic conductivities are vital to the next-generation Li-ion batteries. Molecular dynamics could provide atomic scale information to understand the diffusion process of Li-ion in these superionic conductor materials. Here, we implement the deep potential generator to set up an efficient protocol to automatically generate interatomic potentials for Li 10 GeP 2 S 12 -type solid-state electrolyte materials (Li 10 GeP 2 S 12 , Li 10 SiP 2 S 12 , and Li 10 SnP 2 S 12 ). The reliability and accuracy of the fast interatomic potentials are validated. With the potentials, we extend the simulation of the diffusion process to a wide temperature range (300 K–1000 K) and systems with large size (~1000 atoms). Important technical aspects such as the statistical error and size effect are carefully investigated, and benchmark tests including the effect of density functional, thermal expansion, and configurational disorder are performed. The computed data that consider these factors agree well with the experimental results, and we find that the three structures show different behaviors with respect to configurational disorder. Our work paves the way for further research on computation screening of solid-state electrolyte materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Early detection of fatigue damage in composite materials

Early detection of fatigue damage in composite materials by nondestructive inspection (NDI) techniques has been demonstrated for glass/epoxy, graphite/glass/epoxy, and graphite/epoxy composites. Modulus and temperature were monitored and a correlation between them observed. Axial modulus and torsional modulus changes were a function of the laminate orientation. Torsional modulus measurements and coin tap tests were performed at 0, 1 million, 5 million, and 10 million cycles, on axial fatigue specimens. Three distinct regions were noted. In the primary region a small but rapid change in stiffness was noted in the first few thousand cycles. This was followed by a secondary region of little or no stiffness change. The tertiary region was characterized by an increasing rate of stiffness change leading to fracture. NDI procedures including holographic interferometry, ultrasonics, penetrant, and X-ray radiography were evaluated for fatigue damage detection.

Salkind, M. J.↗

Breadboard stellar tracker system test report, volume 1

The performance of a star tracker equipped with a focal plane detector was evaluated. The CID board is an array of 256 x 256 pixels which are 20 x 20 micrometers in dimension. The tracker used for test was a breadboard tracker system developed by BASD. Unique acquisition and tracking algorithms are employed to enhance performance. A pattern recognition process is used to test for proper image spread function and to avoid false acquisition on noise. A very linear, high gain, interpixel transfer function is derived for interpolating star position. The lens used in the tracker has an EFL of 100 mm. The tracker has an FOV of 2.93 degrees resulting in a pixel angular subtense of 41.253 arc sec in each axis. The test procedure used for the program presented a star to the tracker in a circular pattern of positions; the pattern was formed by projecting a simulated star through a rotatable deviation wedge. Further tests determined readout noise, Noise Equivalent Displacement during track, and spatial noise during acquisition by taking related data and reducing it.

Kollodge, J. C.↗

Development of an LSI maximum-likelihood convolutional decoder for advanced forward error correction capability on the NASA 30/20 GHz program

The particular coding option identified as providing the best level of coding gain performance in an LSI-efficient implementation was the optimal constraint length five, rate one-half convolutional code. To determine the specific set of design parameters which optimally matches this decoder to the LSI constraints, a breadboard MCD (maximum-likelihood convolutional decoder) was fabricated and used to generate detailed performance trade-off data. The extensive performance testing data gathered during this design tradeoff study are summarized, and the functional and physical MCD chip characteristics are presented.

Clark, R. T.↗

Test particle study of minor ions in solar wind turbulence

We perform a parameter study of the temporal evolution of a test particle distribution function in MHD turbulence. The turbulent fields are calculated using a pseudo-spectral method and periodic boundary conditions on a regular grid of 180(exp 3) points, appropriate for incompressible, homogeneous and isotropic turbulence. Initially, the kinetic and the magnetic energy are equal on the average. Both, deterministic and random initial conditions are used, in the former case with zeros of the magnetic field located at grid points, in the latter case located by interpolation between grid points. The evolution of the minor ion distribution function is studied in detail as these turbulent fields evolve, developing strong current and vorticity sheets. Using the full collisionless equation of motion for the test particles, the efficiency of nonlinear interactions can be studied. The results are compared to theoretical predictions and are then discussed in connection with the observations of the dynamical properties of solar wind minor ions derived from in situ observations.

Zurbuchen, Th.↗

Performance Testing of Yardney MCMB-LiNiCoAlO2 Lithium-ion Cells Possessing Electrolytes with Improved Safety Characteristics

Many future NASA missions aimed at exploring the Moon and Mars require high specific energy rechargeable batteries that possess enhanced safety characteristics. There is also a strong desire to develop Li-ion batteries with improved safety characteristics for terrestrial applications, most notably for HEV and PHEV automotive applications. In previous work focused upon evaluating various potential flame retardant additives1, triphenyl phosphate (TPP)2 was observed to have the most desirable attributes, including good life characteristics and resilience to high voltage operation. We have employed a number of approaches in the design of promising TPP-based electrolytes with improved safety, including: (a) varying the flame retardant additive (FRA) content (from 5 to 15%), (b) the use of fluorinated co-solvents, (c) the use of additives to improve compatibility, and (c) the use of ester co-solvents to decrease the viscosity and increase the conductivity. In recent work, we have demonstrated a number of these electrolyte formulations to be compatible with a number of chemistries, including: MCMB carbon-LiNi0.8Co0.2O2, graphite-LiNi0.8Co0.15Al0.05O2, Li-Li(Li0.17Ni 0.25 Mn 0.58 )O2, Li-LiNiCoMnO2 and graphite- LiNiCoMnO2.3,4 In the current study, we have demonstrated the performance of a number of TPP-containing electrolytes in 7 Ah prototype MCMB-LiNiCoO2 cells. We will describe the results of a number of performance tests, including: a) 100% DOD cycle life testing at various temperatures, b) discharge rate characterization as a function of temperature, c) charge rate characterization as a function of temperature, and d) impedance as a function of temperature. In addition to displaying good life characteristics, being comparable to baseline chemistries, a number of cells were observed to provide good performance over a wide temperature range.

Li-ion batteries↗

ATLAS LTCS Vertically Challenged System Lessons Learned

Re-planning of LTCS TVAC testing and supporting RTA (Receiver Telescope Assembly) Test Plan and Procedure document preparation. The Laser Thermal Control System (LTCS) is designed to maintain the lasers onboard Advanced Topographic Laser Altimeter System (ATLAS) at their operational temperatures. In order to verify the functionality of the LTCS, a thermal balance test of the thermal hardware was performed. During the first cold start of the LTCS, the Loop Heat Pipe (LHP) was unable to control the laser mass simulators temperature. The control heaters were fully on and the loop temperature remained well below the desired setpoint. Thermal analysis of the loop did not show these results. This unpredicted behavior of the LTCS was brought up to a panel of LHP experts. Based on the testing and a review of all the data, there were multiple diagnostic performed in order to narrow down the cause. The prevailing theory is that gravity is causing oscillating flow within the loop, which artificially increased the control power needs. This resulted in a replan of the LTCS test flow and the addition of a GSE heater to allow vertical operation.

Loop Heat Pipe↗

Sub-scale Waterflow Cavitation and Dynamic Transfer Function Testing of an Oxidizer Turbo-Pump Combined Inducer and Impeller

In 2009 and 2010, Concepts NREC prepared for and performed a series of tests on a 52% scale of a version of the Pratt & Whitney Rocketdyne J-2X Oxidizer Turbopump under a Phase III SBIR with NASA MSFC. The test article was a combined inducer and impeller, tested as a unit. This paper presents an overview of the test rig and facility, instrumentation, signal conditioning, data acquisition systems, testing approach, measurement developments, and lessons learned. Results from these tests were presented in the form of two papers at the previous JANNAF joint propulsion conference, in December of 2011.

Karon, D. M.↗

Galaxy Correlation Function and Local Density from Photometric Redshifts Using the Stochastic Order Redshift Technique (SORT)

The stochastic order redshift technique (SORT) is a simple, efficient, and robust method to improve cosmological redshift measurements. The method relies upon having a small (∼10 per cent) reference sample of high-quality redshifts. Within pencil- beam-like sub-volumes surrounding each galaxy, we use the precise dN/dz distribution of the reference sample to recover new redshifts and assign them one-to-one to galaxies such that the original rank order of redshifts is preserved. Preserving the rank order is motivated by the fact that random variables drawn from Gaussian probability density functions with different means but equal standard deviations satisfy stochastic ordering. This process is repeated for sub-volumes surrounding each galaxy in the survey. This results in every galaxy being assigned multiple ‘recovered’ redshifts from which a new redshift estimate is determined. An earlier paper applied SORT to a mock Sloan Digital Sky Survey at z 0.2 and accurately recovered the two-point correlation function (2PCF) on scales > 4 h−1Mpc. In this paper, we test the performance of SORT in surveys spanning the redshift range 0.75 < z < 2.25. We used two mock surveys extracted from the Small MultiDark–Planck and Bolshoi–Planck N-body simulations with dark matter haloes that were populated by the Santa Cruz semi-analytic model. We find that SORT overall improves redshift estimates, accurately recovers the redshift-space 2PCF ξ (s) on scales > 2.5 h−1Mpc, and provides improved local density estimates in regions of average or higher density, which may allow for improved understanding of how galaxy properties relate to their environments.

James Kakos↗

Lightweight Composite Reflectarray That Can Be Flattened, Folded, and Coiled for Compact Stowage

Herein is presented a design for a lightweight 5m 1m radio-frequency (RF) re ector that can be attened, folded, and coiled for compact stowage on board an ESPA-class spacecraft. The re ector is a re ectarray that operates at 3.2GHz. Compared to state- of-the-art technologies for RF re ectors, the presented design has advantages in terms of areal density, sti ness, deployed stability, and scalability. Thermal and structural analysis is presented to demonstrate deployed sti ness and thermoelastic stability of the proposed design. Thermal analysis is used to predict in- space deployed temperatures in an operational condition, and structural nite element analysis is used to predict deployed vibration modes and frequencies, and the thermoelastic deformation of the deployed re ector. Also presented are the fabrication, assembly, and testing of two one-third-scale-length full-scale-width 1:7m 1m test articles. These test articles are used to experimentally demonstrate RF functioning, stowage, deployment, and RF performance after deployment.

Pellegrino, Sergio↗

Extended Storage of High Burn-up Fuel Cask R and D Project - 17145

Under contract by EPRI and DOE, AREVA Federal Services LLC (AFS) is leading a team consisting of AREVA Inc. and Dominion Virginia Power (Dominion) to develop and conduct a full-scale confirmatory Research project with HBU fuel. A test plan was developed using an existing TN Americas (TN) TN-32 bolted storage cask with a modified, specially instrumented lid to be engineered and then loaded with multiple cladding types of HBU pressurized water reactor (PWR) UNF from Dominion's North Anna Power Station (this modified cask is identified as TN-32B). Seven specially designed thermocouple lances, each containing nine detectors, will be inserted into the designated fuel assembly guide tubes through the modified cask lid. The loaded cask with the monitoring system will be placed into dry storage on the existing North Anna Independent Spent Fuel Storage Installation (ISFSI) pad for a period of extended monitoring. In addition, design modifications to the lid have been incorporated to permit periodic gas sampling of the cask internals during the storage period on the ISFSI pad. The fuel selected for this research project ranges in average assembly burnup between 50 GWD/MTU to 67 GWD/MTU. The instrumentation used to collect the thermal data is very similar to in-core thermocouple detectors used at nuclear power plants and is considered very reliable for this application. Prior to cask loading at North Anna, a series of 'fit up' tests will be performed at the fabricator to ensure proper alignment, fit and function of the modified cask and related instrumentation and equipment. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Test Hardware Design for Flightlike Operation of Advanced Stirling Convertors (ASC-E3)

NASA Glenn Research Center (GRC) has been supporting development of the Advanced Stirling Radioisotope Generator (ASRG) since 2006. A key element of the ASRG project is providing life, reliability, and performance testing of the Advanced Stirling Convertor (ASC). For this purpose, the Thermal Energy Conversion branch at GRC has been conducting extended operation of a multitude of free-piston Stirling convertors. The goal of this effort is to generate long-term performance data (tens of thousands of hours) simultaneously on multiple units to build a life and reliability database. The test hardware for operation of these convertors was designed to permit in-air investigative testing, such as performance mapping over a range of environmental conditions. With this, there was no requirement to accurately emulate the flight hardware. For the upcoming ASC-E3 units, the decision has been made to assemble the convertors into a flight-like configuration. This means the convertors will be arranged in the dual-opposed configuration in a housing that represents the fit, form, and thermal function of the ASRG. The goal of this effort is to enable system level tests that could not be performed with the traditional test hardware at GRC. This offers the opportunity to perform these system-level tests much earlier in the ASRG flight development, as they would normally not be performed until fabrication of the qualification unit. This paper discusses the requirements, process, and results of this flight-like hardware design activity.

Oriti, Salvatore M.↗

Test Hardware Design for Flight-Like Operation of Advanced Stirling Convertors

NASA Glenn Research Center (GRC) has been supporting development of the Advanced Stirling Radioisotope Generator (ASRG) since 2006. A key element of the ASRG project is providing life, reliability, and performance testing of the Advanced Stirling Convertor (ASC). For this purpose, the Thermal Energy Conversion branch at GRC has been conducting extended operation of a multitude of free-piston Stirling convertors. The goal of this effort is to generate long-term performance data (tens of thousands of hours) simultaneously on multiple units to build a life and reliability database. The test hardware for operation of these convertors was designed to permit in-air investigative testing, such as performance mapping over a range of environmental conditions. With this, there was no requirement to accurately emulate the flight hardware. For the upcoming ASC-E3 units, the decision has been made to assemble the convertors into a flight-like configuration. This means the convertors will be arranged in the dual-opposed configuration in a housing that represents the fit, form, and thermal function of the ASRG. The goal of this effort is to enable system level tests that could not be performed with the traditional test hardware at GRC. This offers the opportunity to perform these system-level tests much earlier in the ASRG flight development, as they would normally not be performed until fabrication of the qualification unit. This paper discusses the requirements, process, and results of this flight-like hardware design activity.

Oriti, Salvatore M.↗

Evaluating The Relationships Between Supine Propriorception Assessments with Upright Functional Mobility and Balance Tests

INTRODUCTION Upon return to Earth, spaceflight sensorimotor adaptations can result in impaired posture and locomotion [1], [2], and current exercise countermeasures in the International Space Station are not sufficient to maintain sensorimotor function. In-flight countermeasures and assessment tools for sensorimotor function are needed to mitigate risks associated with mission-critical task performance upon return to Earth or arrival to 0.38 G on Mars. One proposed countermeasure for proprioceptive deconditioning includes training on a tilt board device [3], which will be tested in an upcoming bed rest study. In preparation for the said study, the objective of this pilot study is to compare performance in supine proprioceptive assessments to performance in functional upright activities. The results are intended to guide the selection of supine assessment tools for the upcoming bedrest study and the development of future inflight proprioceptive training and assessment tools for exploration missions. METHODS Seventeen healthy participants (8 males and 9 females, 27.9 ± 8.5 years) provided informed consent as approved by the Institutional Review Board (IRB) at NASA. A horizontal air-bearing sled was used to provide a proprioceptive challenge in a supine body orientation, allowing for mediolateral motion with minimal friction during supine stance [4]. Participants were loaded axially (30 to 60% body weight) with their feet on a vertically oriented tilt board and instructed to perform supine assessment activities using custom software that displays a cursor controlled by tilting the tilt board. In a single-leg static activity on the tilt board (TB-St), performance was measured as the percent time spent on a center target during a 30-second trial. During a two-feet dynamic activity on the tilt board (TB-Dy), performance was measured as the number of targets captured in 30 seconds. These supine tasks were compared to performance during two upright activities used to represent upright performance: completion time for a functional mobility task (FMT) [2],[5] and a performance score from force plate sway data during 30-second single-leg upright standing (USL). RESULTS AND DISCUSSION A Spearman's rank-order correlation was run to assess the relationship between upright and supine assessments. There were statistically significant, strong correlations between scores for the FMT and each TB activity, including TB-St, rs(17) = 0.50, p<0.05, TB-Dy3, rs(17) = 0.73, p<0.001, and TB-Dy9, rs(15) = 0.53, p<0.05. There were no statistically significant correlations between USL and each TB activity. Despite a lack of correlation with upright single-leg balance, the ability of the TB to indicate upright performance in the FMT is promising, as this task is a standard post-flight measure designed to characterize locomotor dysfunction [2], [5]. CONCLUSION These efforts will inform the selection of an appropriate sensorimotor assessment method for the upcoming bed rest study and similar future studies. While current work uses a bed rest analog to develop these technologies, future work aims to prepare capabilities for future in-flight sensorimotor training and assessment to mitigate the risks of proprioception impairment after spaceflight. ACKNOWLEDGEMENTS This work was supported by the University Space Research Association Internship Program. REFERENCES [1] Mulavara A.P. et al (2018) Med Sci Sports Exerc, 50(9), 1961-1980. [2] Mulavara A.P. et al (2010) Exp Brain Res, 202(3), 649-659. [3] Macaulay T.R. et al (2021) Front. Syst. Neurosci., 15, 658-985. [4] Goel R. et al (2017) Front. Syst. Neurosci, 11. [5] Koppelmans V. et al (2013) BMC Neurology, 12.

R Bellisle↗

Characterization of Damage Progression in SCS-6/timetal 21S (0)4 Under Thermomechanical Fatigue Loadings

A detailed experimental investigation was performed at a single maximum cyclic stress (sigma max) level to physically characterize the progression of thermomechanical fatigue (lW) damage in continuously reinforced (0 deg) SCS-6/Timetal 21S, a titanium matrix composite. In-phase (IP) and out of-phase (OP) loadings were investigated at sigma max = 1000 MPa with a temperature cycle from 150 to 6500 C. Damage progression, in terms of macroscopic property degradation, was experimentally quantified through an advanced TMF test methodology which incorporates explicit measurements of the isothermal static moduli at the TMF temperature extremes and the coefficient of thermal expansion (CTE) as functions of the TMF cycles. Detailed characterization of the physical damage progression at the microstructural level was performed by interrupting multiple TMF tests at various stages of mechanical property degradation and analyzing the microstructure through extensive destructive metallography. Further, the extent of damage was also quantified through residual static strength measurements. Results indicated that damage initiation occurred very early in cyclic life (N less than 0.1Nf) for both the IP and OP TMF loadings. IP TMF damage was found to be dominated by fiber breakage with a physical damage progression in the microstructure which was difficult to quantify. OP TMF loadings produced matrix cracking exclusively associated with surface initiations. Here, damage progression was easily distinguished in terms of both the number of cracks and their relative inward progressions toward the outer fiber rows with increased cycling. The point at which the leading cracks reached the outer fiber rows (when localized fiber/matrix de-bonding and matrix crack bridging occurred) appeared to be reflected in the macroscopic property degradation curves.

Castelli, Michael G.↗