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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 631 records · Page 35

Data-driven organic solubility prediction at the limit of aleatoric uncertainty

Abstract Small molecule solubility is a critically important property which affects the efficiency, environmental impact, and phase behavior of synthetic processes. Experimental determination of solubility is a time- and resource-intensive process and existing methods for in silico estimation of solubility are limited by their generality, speed, and accuracy. This work presents two models derived from the FASTPROP and CHEMPROP architectures and trained on BigSolDB which are capable of predicting solubility at arbitrary temperatures for a wide range of small molecules in organic solvent. Both extrapolate to unseen solutes 2–3 times more accurately than the current state-of-the-art model and we demonstrate that they are approaching the aleatoric limit (0.5–1$$\log S$$ log S ) of available test data, suggesting that further improvements in prediction accuracy require more accurate datasets. The FASTPROP-derived model (called FASTSOLV) and the CHEMPROP-based model are open source, freely accessible via a Python package and web interface, highly reproducible, and up to 2 orders of magnitude faster than current alternatives.

Science & Technology - Other Topics↗

First Phase Consensus Roadmap for Development of Condition-Based Cable Reliability Assurance

The objective of this work was to develop a first phase consensus roadmap for condition-based qualification (CBQ) of electrical cables. With CBQ, qualification of Class 1E electrical cables moves from a time-based approach to a condition-based approach, which is anticipated to be safer in terms of reliability and conservatism, and more cost effective in the long run. However, due to barriers, the CBQ approach has not yet been adopted by U.S. nuclear power plants (NPPs). Based upon a review of current work evaluating CBQ, the limitation of available condition monitoring technology seems to be the largest barrier. The importance of condition monitoring, or more specifically selecting appropriate condition indicators, during CBQ cannot be understated. However, selecting appropriate condition indicators is challenged by techniques that are destructive and only evaluate cable degradation locally. Further, arguably, no one identified condition indicator fully establishes cable condition. Thus, additional work is necessary to evaluate potential condition indicators towards CBQ. In addition to the requirements of IEC/IEEE Std. 60780-323, ideal condition indicators should include a) both destructive and non-destructive approaches, b) both local and global measurements, c) real-time (i.e., online) monitoring that trends with degradation, d) enable correlation with qualified levels of degradation, and e) be established within a repository of condition indicators with applicable materials and/or components and their acceptance criteria. Additional work is needed in development of technology and methodology prior to adoption of CBQ, especially for extending qualified life of installed components. Education and early experience by the industry and regulators will be required for this change in approach as an alternative to re-analysis. A series of workshops that bring together stakeholders to identify and address gaps will be needed. The longstanding cooperative working group of cable researchers from the U.S. Department of Energy, the Electric Power Research Institute, and the Nuclear Regulatory Commission forms a valuable starting point for development of a consensus roadmap to condition-based qualification approach as a viable options for qualification of cable systems in U.S. light water reactors.

42 ENGINEERING↗

Risk of decompression sickness in the presence of circulating microbubbles

In this study, we examined the association between microbubbles formed in the circulation from a free gas phase and symptoms of altitude decompression sickness (DCS). In a subgroup of 59 males of mean (S.D) age 31.2 (5.8) years who developed microbubbles during exposure to 26.59 kPa (4.3 psi) under simulated extravehicular activities (EVA), symptoms of DCS occurred in 24 (41 percent) individuals. Spencer grade 1 microbubbles occurred in 4 (7 percent), grade 2 in 9 (15 percent), grade 3 in 15 (25 percent), and grade 4 in 31 (53 percent) of subjects. Survival analysis using Cox proportional hazards regression showed that individuals with less than grade 3 CMB showed 2.46 times (95 percent confidence interval = 1.26 to 5.34) higher risk of symptoms. This information is crucial for defining the risk of DCS for inflight Doppler monitoring under space EVA. Altitude decompression sickness (DCS) occurs when there is acute reduction in ambient pressure. The symptoms of DCS are due to the formation of a free gas phase (in the form of gas microbubbles) in tissues during decompression. Musculo-skeletal pain of bends is the commonest form of DCS in altitude exposures. In the space flight environment, there is a risk of DCS when astronauts decompress from the normobaric shuttle pressure into the hypobaric space suit pressure (currently about 29.65 kPa (4.3 psi) for extra-vehicular activities (EVA). This risk is counterbalanced by a judicious combination of prior denitrogenation and staged decompression. Studies of DCS are limited by the duration of the test at reduced pressure. Since only a proportion of subjects tested develop symptoms, the information on DCS is generally incomplete or 'censored'. Many studies employ Doppler ultrasound monitoring of the precordial area for detecting circulating microbubbles (CMB). Although the association between CMB and bends pain is not causal, CMB are frequently monitored during decompression. In this paper, we examine the association between CMB and symptoms of DCS under simulated EVA profiles.

Kumar, K. Vasantha↗

Structural and Electronic Properties of Indium-Doped n-type Cd-Se-Te Crystals

Here, we present a comprehensive investigation into the potential of n-type indium-doped cadmium selenide telluride (CST:In) as a high-performance candidate for solar cell applications, without the need for resource-intensive post-growth treatments that are required for CdTe:In. We compared undoped CST and CST:In crystals under different growth conditions, analyzing their structural and electronic properties using x-ray diffraction (XRD), electron probe microanalysis (EPMA), current-voltage (IV) and Hall effect measurements, time-resolved photoluminescence (TRPL), optical transmission, and photoluminescence (PL) mapping. The results reveal that as-grown CST:In crystals achieve nearly 100% carrier activation, yielding an electron concentration of 9.5x1018 cm -3 , mobility of 653 cm 2 /V.s and a 5 ns lifetime which approaches the radiative limit. Furthermore, comparison of PL maps from crystal growths having different cooling profiles suggests a strong effect of cooling rate on selenium segregation and cubic/hexagonal/polytype phase distribution. Slower cooling leads to a more homogeneous cubic structure with lower Se segregation, while a faster cooling rate results in increased Se segregation, and twin boundaries and stacking faults with polytypic and hexagonal character.

14 SOLAR ENERGY↗

Investigation of N2O Production from 266 and 532 nm Laser Flash Photolysis of O3/N2/O2 Mixtures

Tunable diode laser absorption spectroscopy has been employed to measure the amount of N2O produced from laser flash photolysis of O3/N2/O2 mixtures at 266 and 532 nm. In the 532 nm photolysis experiments very little N2O is observed, thus allowing an upper limit yield of 7 x 10(exp -8) to be established for the process O3 + N2 yield N2O + O2, where O3 is nascent O3 that is newly formed via O(3P(sub J)) + O2 recombination (with vibrational excitation near the dissociation energy of O3). The measured upper limit yield is a factor of approx. 600 smaller than a previous literature value and is approximately a factor of 10 below the threshold for atmospheric importance. In the 266 nm photolysis experiments, significant N2O production is observed and the N2O quantum yield is found to increase linearly with pressure over the range 100 - 900 Torr in air bath gas. The source of N2O in the 266 nm photolysis experiments is believed to be the addition reaction O(1D(sub 2)) + N2 + M yields (k(sub sigma)) N2O + M, although reaction of (very short-lived) electronically excited O3 with N2 cannot be ruled out by the available data. Assuming that all observed N2O comes from the O(1D(sub 2)) + N2 + M reaction, the following expression describes the temperature dependence of k(sub sigma) (in its third-order low-pressure limit) that is consistent with the N2O yield data: k(sub sigma) = (2.8 +/- 0.1) x 10(exp -36)(T/300)(sup -(0-88+0.36)) cm(sup 6) molecule(sup -2)/s, where the uncertainties are 2(sigma) and represent precision only. The accuracy of the reported rate coefficients at the 95% confidence level is estimated to be 30 - 40% depending on the temperature. Model calculations suggest that gas phase processes initiated by ozone absorption of a UV photon represent about 1.4% of the currently estimated global source strength of atmospheric N2O. However, these processes could account for a significant fraction of the oxygen mass-independent enrichment observed in atmospheric N2O, and they appear to be the first suggested photochemical mechanism that is capable of explaining the altitude dependence of the observed mass -independent isotopic signature.

Estupinan, E. G.↗

The Iodine Satellite (iSat) Project Development Towards Critical Design Review

Despite the prevalence of small satellites in recent years, the systems flown to date have very limited propulsion capability. SmallSats are typically secondary payloads and have significant constraints for volume, mass, and power in addition to limitations on the use of hazardous propellants or stored energy. These constraints limit the options for SmallSat maneuverability. NASA's Space Technology Mission Directorate approved the iodine Satellite flight project for a rapid demonstration of iodine Hall thruster technology in a 12U (cubesat units) configuration under the Small Spacecraft Technology Program. The mission is a partnership between NASA MSFC, NASA GRC, and Busek Co, Inc., with the Air Force supporting the propulsion technology maturation. The team is working towards the critical design review in the final design and fabrication phase of the project. The current design shows positive technical performance margins in all areas. The iSat project is planned for launch readiness in the spring of 2017.

Dankanich, John W.↗

Soft-Robotic Rover with Electrodynamic Power Scavenging: NIAC Final Report - Phase 1

The purpose of studying the capabilities of Electrodynamic Tethers (EDT) and Soft Robotics is to ascertain the feasibility of using cross-cutting EDT and soft robotics technologies to achieve future NASA mission objectives with mass and power budgets orders of magnitude lower than conventional spacecraft. In this context, the Phase I study focuses on three technological elements: the design of a soft-robotic rover that can operate in extraterrestrial oceans, demonstrating feasibility of electrodynamic tethers for power scavenging in the Europa environment, and utilizing electrolysis to power biomimetic propulsion.The Phase I results show that a soft robotic, underwater rover has many advantages over a traditional view of autonomous underwater vehicles. Many of these advantages stem from its ability to collapse or expand the body, which carries two key benefits: (i) cost savings in transport and (ii) buoyancy control. Furthermore, this rover's material offers properties that enable it to survive most oceanic conditions, withstand a likely radiation environment, and retard ice formation. The use of these soft robots under water is very attractive because buoyancy enables very large robots without the need for skeletal structures that limit their shape-changing ability. The prime limitation of soft robots for underwater exploration is their nascent state of development, an issue that this study has begun to address and that we hope to continue in Phase II. The theoretical calculations and experimental investigation on electrodynamic tethers discussed in this report show that their use in saltwater environments is feasible. However, magneto hydrodynamic effects require attention, which will be a priority in Phase II. A possible approach involves magnetic shielding of a portion of the EDT array to generate significant current from imposed alternating magnetic fields. The Phase I experiments show that this approach may enable enough power to be generated for a soft robotic rover of the scale contemplated here. This power is in the range of 1mW to 1W and determines the time required to collect and transmit science data.

Soft Robotics↗

Complete Phase Transformation of Ir Nanowire Network into Defect-Rich Oxide Catalyst for High-Performance PEM Water Electrolysis

Iridium-based catalysts remain the most reliable option for the oxygen evolution reaction (OER) in proton exchange membrane water electrolyzers (PEMWEs). However, their high cost and limited performance represent critical barriers to the commercialization of this green hydrogen production technology. Herein, we report the creation of a metallic Ir nanowire network (IrNWN), which exhibits superior OER performance through its in-situ transition into an oxide structure with high intrinsic activity. At a low loading of 0.25 mgIr/cm2 in PEMWEs, IrNWN achieved a current density of 3.13 A/cm2 at a cell voltage of 1.8 V, outperforming the commercial Ir-based catalyst and surpassing the Department of Energy (DOE) 2026 technical target. Moreover, the high activity of IrNWN was maintained for 900 hours in a durability test at 2 A/cm2, showing a low degradation rate of 0.042 mV/hour. Structural analysis of the electrochemically oxidized IrNWN revealed the presence of mixed Ir oxidation states and a high density of surface terminal oxygen groups (μ1-O), which contributed to a reduced energy barrier for the rate-determining O-O coupling step.

oxygen evolution reaction↗

Fabrication of neutron absorbing metal hydride entrained ceramic matrix shield composites

With significant improvement in High Temperature Superconductors (HTS), several projects are adopting HTS technology for fusion power systems. Compact HTS tokamaks offer potential advantages including lower plant costs, enhanced plasma control, and ultimately lower cost of electricity. However, as compact reactors have a reduced radial build to accommodate shielding, HTS degradation due to radiation damage or heating is a significant and potentially design limiting issue. Shielding must mitigate threats to the superconducting coils: neutron cascade damage, heat deposition and potentially organic insulator damage due x-rays. Unfortunately, there are currently no hi-performance shielding materials to enable the potential performance enhancement offered by HTS. In this work, we present a manufacturing method to fabricate a new class of composite shields that are high performance, high operating temperature, and simultaneously neutron absorbing and neutron moderating. The composite design consists of an entrained metal-hydride phase within a radiation stable MgO ceramic host matrix. We discuss the fabrication, characterization, and thermophysical performance data for a series of down-selected composite materials inspired by future fusion core designs and their operational performance metrics. To our knowledge these materials represent the first ceramic composite shield materials containing significant metal hydrides.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Design, characterization and control of the Unique Mobility Corporation robot

Space and mass are at a premium on any space mission, and thus any machinery designed for space use should be lightweight and compact, without sacrificing strength. It is for this reason that NASA/LeRC contracted Unique Mobility Corporation to exploit their novel actuator designs to build a robot that would advance the present state of technology with respect to these requirements. Custom-designed motors are the key feature of this robot. They are compact, high-performance dc brushless servo motors with a high pole count and low inductance, thus permitting high torque generation and rapid phase commutation. Using a custom-designed digital signal processor-based controller board, the pulse width modulation power amplifiers regulate the fast dynamics of the motor currents. In addition, the programmable digital signal processor (DSP) controller permits implementation of nonlinear compensation algorithms to account for motoring vs. regeneration, torque ripple, and back-EMF. As a result, the motors produce a high torque relative to their size and weight, and can do so with good torque regulation and acceptably high velocity saturation limits. This paper presents the Unique Mobility Corporation robot prototype: its actuators, its kinematic design, its control system, and its experimental characterization. Performance results, including saturation torques, saturation velocities and tracking accuracy tests are included.

Velasco, Virgilio B., Jr.↗

The response of ionospheric convection in the polar cap to substorm activity

We report multi-instrument observations during an isolated substorm on 17 October 1989. The European Incoherent Scatter (EISCAT) radar operated in the SP-UK-POLI mode measuring ionospheric convection at latitudes 71 deg Lambda - 78 deg Lambda. Sub-Auroral Magnetometer Network (SAMNET) and the EISCAT Magnetometer Cross provide information on the timing of substorm expansion phase onset and subsequent intensifications, as well as the location of the field aligned and ionospheric currents associated with the substorm current wedge. Interplanetary Monitoring Platform-8 (IMP-8) magnetic field data are also included. Evidence of a substorm growth phase is provided by the equatorward motion of a flow reversal boundary across the EISCAT radar field of view at 2130 MLT, following a southward turning of the interplanetary magnetic field (IMF). We infer that the polar cap expanded as a result of the addition of open magnetic flux in the tail lobes during this interval. The flow reversal boundary, which is a lower limit to the polar cap boundary, reached an invariant latitude equatorward of 71 deg Lambda by the time of the expansion phase onset. We conclude that the substorm onset region in the ionosphere, defined by the westward electrojet, mapped to a part of the tail radially earthward of the boundary between open and closed magnetic flux, the distant neutral line. Thus the substorm was not initiated at the distant neutral line, although there is evidence that it remained active during the expansion phase.

Lester, M.↗

Simultaneous Development and Robust Optimization of a Microstructure Dependent Material

Recent microstructure characterization techniques combined with Symbolic Regression(SR)analysis has been proven to generate white box plasticity models well suited for incorporation into FEA software.The current work builds upon those efforts and demonstrates the applicability of Sequential Monte-Carlo (SMC) methods within SR analysis to condense model development and robust optimization into a single, co-dependent process. In this project, SMC methods provide a mechanism through which the observed microstructure features and associated variability can be incorporated into the discovery phase of model development and simultaneously recover approximate parameter distributions through SR analysis. The demonstration utilized a data set consisting of tensile test results from a limited number of sample specimens with corresponding EBSD data from which microstructure features were characterized.The maximum threshold stress model in the Visco-Plastic Self-Consistent (VPSC) code developed by Los Alamos National Laboratories was calibrated using mechanical test data.Synthetic volume elements with statistically equivalent microstructure were generated with DREAM3Dbased on the observed EBSD data. VPSC was used to simulate the corresponding tensile test response for each of the synthetic volume elements. The simulated microstructure and tensile test data was used astraining datafor SMC-SR algorithm and the resulting model was validated with data from the original empirical data set.

Karl Garbrecht↗

Noisy Intermediate-Scale Quantum Applications on a Pathfinder System

Work performed under this one-year LDRD was concerned with estimating resource requirements for small quantum test beds that are expected to be available in the near future. This work represents a preliminary demonstration of our ability to leverage quantum hardware for solving small quantum simulation problems in areas of interest to the DOE. The algorithms enabling such studies are hybrid quantum-classical variational algorithms, in particular the widely-used variational quantum eigensolver (VQE). Employing this hybrid algorithm, in which the quantum computer complements the classical one, we implemented an end-to-end application-level toolchain that allows the user to specify a molecule of interest and compute the ground state energy using the VQE approach. We found significant limitations attributable to the classical portion of the hybrid system, including a greater than greater-than-quartic power scaling of the classical memory requirements with the system size. Current VQE approaches would require an exascale machine for solving any molecule with size greater than 150 nuclei. Our findings include several improvements that we implemented into the VQE toolchain, including a new classical optimizer that is decades old but hadn't been considered before in the VQE ecosystem. Our findings suggest limitations to variational hybrid approaches to simulation that further motivate the need for a gate-based fault-tolerant quantum processor that can implement larger problems using the fully digital quantum phase estimation algorithm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Broadband Performance of TPF's High-contrast Imaging Testbed: Modeling and Simulations

The broadband performance of the high-contrast imaging testbed (HCIT) at JPL is investigated through optical modeling and simulations. The analytical tool is an optical simulation algorithm developed by combining the HCIT's optical model with a speckle-nulling algorithm that operates directly on coronagraphic images, an algorithm identical to the one currently being used on the HCIT to actively suppress scattered light via a deformable mirror. It is capable of performing full three-dimensional end-to-end near-field diffraction analysis on the HCIT's optical system. By conducting speckle-nulling optimization, we clarify the HCIT's capability and limitations in terms of its broadband contrast performance under various realistic conditions. Considered cases include non-ideal occulting masks, such as a mask with optical density and wavelength dependent parasitic phase-delay errors (i.e., a not band-limited occulting mask) and the one with an optical-density profile corresponding to a measured, non-standard profile, as well as the independently measured phase errors of all optics. Most of the information gathered on the HCIT's optical components through measurement and characterization over the last several years at JPL has been used in this analysis to make the predictions as accurate as possible. The best contrast values predicted so far by our simulations obtainable on the HCIT illuminated with a broadband light having a bandwidth of 80nm and centered at 800nm wavelength are Cm=1.1x10-8 (mean) and C4=4.9x10-8 (at 4(lamda)/D), respectively. In this paper we report our preliminary findings about the broadband light performance of the HCIT.

integrated modeling↗

Evaluation of selected chemical processes for production of low-cost silicon, phase 3

A Process Development Unit (PDU), which consisted of the four major units of the process, was designed, installed, and experimentally operated. The PDU was sized to 50MT/Yr. The deposition took place in a fluidized bed reactor. As a consequences of the experiments, improvements in the design an operation of these units were undertaken and their experimental limitations were partially established. A parallel program of experimental work demonstrated that Zinc can be vaporized for introduction into the fluidized bed reactor, by direct induction-coupled r.f. energy. Residual zinc in the product can be removed by heat treatment below the melting point of silicon. Current efficiencies of 94 percent and above, and power efficiencies around 40 percent are achievable in the laboratory-scale electrolysis of ZnCl2.

Blocher, J. M., Jr.↗

Linking the subseasonal variability of the East Asia winter monsoon and the Madden-Julian Oscillation through wave disturbances along the subtropical jet

Despite an urgent demand for reliable subseasonal-to-seasonal (S2S) predictions to guide disaster preparedness, our current climate models show limited S2S prediction skill, particularly for precipitation, due to an inadequate understanding of the key processes that drive regional S2S variability. Here we demonstrate that the leading subseasonal variability mode of precipitation over the East Asian Winter Monsoon (EAWM) region is not only closely tied to the activity of the Madden-Julian Oscillation (MJO), but also linked to precipitation and temperature extremes worldwide, influenced by a circumglobal Rossby wave-train along the subtropical westerly jet. Despite a close phase-lock relationship between the MJO and subseasonal EAWM precipitation, our findings indicate that the MJO itself may only play a minor role in the subseasonal EAWM variability. Given its significant impact on the S2S variability of global weather extremes, we call for coordinated community efforts to enhance the understanding and prediction of the circumglobal Rossby wave-train.

Atmospheric science↗

Experimental and Numerical Study on the Effect of Nitric Oxide on Autoignition and Knock in a Direct-Injection Spark-Ignition Engine

We report Nitric Oxide (NO) can significantly influence the autoignition reactivity and this can affect knock limits in conventional stoichiometric SI engines. Previous studies also revealed that the role of NO changes with fuel type. Fuels with high RON (Research Octane Number) and high Octane Sensitivity (S = RON – MON (Motor Octane Number)) exhibited monotonically retarding knocklimited combustion phasing (KL-CA50) with increasing NO. In contrast, for a high-RON, low-S fuel, the addition of NO initially resulted in a strongly retarded KL-CA50 but beyond the certain amount of NO, KL-CA50 advanced again. The current study focuses on same high-RON, low-S Alkylate fuel to better understand the mechanisms responsible for the reversal in the effect of NO on KLCA50 beyond a certain amount of NO. Experiments were conducted to measure the responses of KL-CA50 and trace-autoignition CA50, the latter being indicative of CA50 at which end-gas autoignition starts to become measurable from the apparent heat-release rate. Chemical-kinetics simulations were conducted to reveal the role of NO for end-gas autoignition, with a specific focus on sequential autoignition in a thermally stratified end-gas. The simulation results reveal that the magnitude of low-temperature heat release (LTHR) generally increases with NO. However, the relative importance of NO for enhancing LTHR diminishes when the LTHR inherent to a fuel’s chemistry is strong, such as at lower temperatures in a thermal boundary layer. This rendered more uniform LTHR within a hypothetical thermal boundary and led to a more sequential (i.e. slower) autoignition event. It was also revealed that a change in compression ratio influences the importance of intermediate-temperature heat release (ITHR) due to changes of the temperature-pressure history of the end-gas. Together with the condition where end-gas autoignition occurs more sequentially, the shorter time spent in LTHR and ITHR regime can counter the increase in autoignition reactivity at high NO levels and allow KLCA50 to advance

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Power electronics for low power arcjets

In anticipation of the needs of future light-weight, low-power spacecraft, arcjet power electronics in the 100 to 400 W operating range were developed. Limited spacecraft power and thermal control capacity of these small spacecraft emphasized the need for high efficiency. Power topologies similar to those in the higher 2 kW and 5 to 30 kW power range were implemented, including a four transistor bridge switching circuit, current mode pulse-width modulated control, and an output current averaging inductor with an integral pulse generation winding. Reduction of switching transients was accomplished using a low inductance power distribution network, and no passive snubber circuits were necessary for power switch protection. Phase shift control of the power bridge was accomplished using an improved pulse width modulation to phase shift converter circuit. These features, along with conservative magnetics designs allowed power conversion efficiencies of greater than 92.5 percent to be achieved into resistive loads over the entire operating range of the converter. Electromagnetic compatibility requirements were not considered in this work, and control power for the converter was derived from AC mains. Addition of input filters and control power converters would result in an efficiency of on the order of 90 percent for a flight unit. Due to the developmental nature of arcjet systems at this power level, the exact nature of the thruster/power processor interface was not quantified. Output regulation and current ripple requirements of 1 and 20 percent respectively, as well as starting techniques, were derived from the characteristics of the 2 kW system but an open circuit voltage in excess of 175 V was specified. Arcjet integration tests were performed, resulting in successful starts and stable arcjet operation at power levels as low as 240 W with simulated hydrazine propellants.

Hamley, John A.↗