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At least 1,081 records · Page 60

Symmetric carbon tetramers forming spin qubits in hexagonal boron nitride

Abstract Point defect quantum bits in semiconductors have the potential to revolutionize sensing at atomic scales. Currently, vacancy-related defects are at the forefront of high spatial resolution and low-dimensional sensing. On the other hand, it is expected that impurity-related defect structures may give rise to new features that could further advance quantum sensing in low dimensions. Here, we study the symmetric carbon tetramer clusters in hexagonal boron nitride and propose them as spin qubits for sensing. We utilize periodic-DFT and quantum chemistry approaches to reliably and accurately predict the electronic, optical, and spin properties of the studied defect. We show that the nitrogen-centered symmetric carbon tetramer gives rise to spin state-dependent optical signals with strain-sensitive intersystem crossing rates. Furthermore, the weak hyperfine coupling of the defect to their spin environments results in a reduced electron spin resonance linewidth that can enhance sensitivity.

Chemistry↗

Honeycomb thermal shield study

A honeycomb thermal shield is described which is an economical and reliable alternative to existing thermal shielding methods for reducing the radiated heat loss from elements which will not allow obstructions in the field of view. The device is simply open-face honeycomb of the type used throughout the aerospace industry for structural panels. The honeycomb thermal shield uses only the core of the honeycomb panel, so it has little structural stiffness and is transparent through the cells. It is located in close proximity to, but conductively decoupled from, the element to be shielded (the radiative source) with the axis of the honeycomb cells parallel to the view direction of the source. The source radiates into a 2pi steradian field occupied by the shield. The view field will be transparent along the axis of the honeycomb but will be increasingly obscured as the off-normal view angle increases. The angular dependence is a function of the cell height to width ratio.

Dombroski, R. M.↗

Initial MPTS study results: Design considerations and issues

One of the key issues identified during investigations of microwave power transmission systems from 1965 to 1976 was the need to assure that the billions of diodes on ground-based rectennas are sufficiently reliable to support long life times of approximately 30 years. Major systems studies conducted focused on waveguides; radio frequency interference and biological considerations; the relationship between performance, weight, and cost; risk assessment; crossed field directional amplifier noise; a 48 kW klystron; effects of the environment on propagation and phase control; rectenna technology; a rationale for the ground power density region; alternate technologies for orbital assembly; ionospheric effects and phase control; and reception conversion (rf to dc collector/converter).

Maynard, O. E.↗

Advanced flight control system study

A fly by wire flight control system architecture designed for high reliability includes spare sensor and computer elements to permit safe dispatch with failed elements, thereby reducing unscheduled maintenance. A methodology capable of demonstrating that the architecture does achieve the predicted performance characteristics consists of a hierarchy of activities ranging from analytical calculations of system reliability and formal methods of software verification to iron bird testing followed by flight evaluation. Interfacing this architecture to the Lockheed S-3A aircraft for flight test is discussed. This testbed vehicle can be expanded to support flight experiments in advanced aerodynamics, electromechanical actuators, secondary power systems, flight management, new displays, and air traffic control concepts.

Hartmann, G. L.↗

Gear Crack Propagation Path Studies-- Guidelines Developed for Ultrasafe Design

Effective gear designs balance strength, durability, reliability, size, weight, and cost. However, unexpected gear failures may occur even with adequate gear tooth design. To design an extremely safe system, the designer must ask and address the question "What happens when a failure occurs?" With regard to gear-tooth bending fatigue, tooth or rim fractures may occur. For aircraft, a crack that propagated through a rim would be catastrophic, leading to the disengagement of a rotor or propeller, the loss of an aircraft, and possible fatalities. This failure mode should be avoided. However, a crack that propagated through a tooth might or might not be catastrophic, depending on the design and operating conditions. Also, early warning of this failure mode might be possible because of advances in modern diagnostic systems. An analysis was performed at the NASA Glenn Research Center to develop design guidelines to prevent catastrophic rim fracture failure modes in the event of gear-tooth bending fatigue. The finite element method was used with principles of linear elastic fracture mechanics. Crack propagation paths were predicted for a variety of gear tooth and rim configurations. The effects of rim and web thicknesses, initial crack locations, and gear-tooth geometry factors such as diametral pitch, number of teeth, pitch radius, and tooth pressure angle were considered. Design maps of tooth and rim fracture modes, including the effects of gear geometry, applied load, crack size, and material properties were developed. The occurrence of rim fractures significantly increased as the backup ratio (rim thickness divided by tooth height) decreased. The occurrence of rim fractures also increased as the initial crack location was moved down the root of the tooth. Increased rim and web compliance increased the occurrence of rim fractures. For gears with constant-pitch radii, coarser-pitch teeth increased the occurrence of tooth fractures over rim fractures. Also, 25 degree pressure angle teeth increased the occurrence of tooth fractures over rim fractures in comparison to 20 pressure angle teeth. For gears with a constant number of teeth or for gears with constant diametral pitch, varying size had little or no effect on crack propagation paths.

Lewicki, David G.↗

NASA Reference Motor Designs for Electric Vertical Takeoff and Landing Vehicles

Electric and hybrid electric vertical takeoff and landing vehicles require high performance and high reliability electric motor drivetrains. Failure analysis of NASA’s Revolutionary Vertical Lift Technologies’ reference vehicles pointed to current electric motor drivetrain reliability being below what is needed to meet the expected stringent reliability requirements for Urban Air Mobility vehicles [1]. In this paper, design studies are carried out for UAM vehicle electric motors to produce reference designs. The primary intent of these reference motor designs is to provide guidance for UAM motor reliability model development and technology advancement. They additionally provide high fidelity motor sizing information for vehicle designers and references for different technologies or motor topologies to be traded against.

Thomas Tallerico↗

Ab Initio Modeling of Aqueous Methanol Mixtures at DFT-SCAN Level Using Machine Learning Interatomic Potentials

Abstract Methanol–water mixtures find use in many applications, particularly catalytic energy conversion processes. Their importance has motivated numerous computational studies, most of which employed molecular dynamics based on classical force fields. These enable simulations of large systems on long time scales but do not reliably describe reactive dynamics involving bond breaking and bond formation. In contrast, ab initio molecular dynamics (AIMD) based on density functional theory (DFT) is generally more reliable for such applications but has a high computational cost, which discourages systematic studies of alcohol-water mixtures. To remedy this, we trained a machine learning interatomic potential capable of probing the properties of aqueous methanol mixtures at the DFT level using the SCAN functional. Our results show that SCAN qualitatively reproduces multiple key experimental features arising from the amphiphilic nature of methanol, including density, diffusion coefficients, X-ray structure factors, and Kirkwood–Buff integrals. We also find that structural correlations between water molecules are somewhat overestimated, leading to a stronger preferential association than that predicted by experiments. However, increasing the temperature by 30 K mitigates this effect and also recovers the correct mobilities of both methanol and water. These results indicate that SCAN provides an accurate description of methanol–water mixtures, making it a reliable choice for investigating the reactive dynamics in such systems.

Park, Sanghyun J. [Princeton University , , , ,]↗

First Results from Faint Infrared Grism Survey (Figs): First Simultaneous Detection of Ly Alpha Emission and Lyman Break From a Galaxy at Z =7.51

Galaxies at high redshifts provide a valuable tool to study cosmic dawn, and therefore it is crucial to reliably identify these galaxies. Here, we present an unambiguous and first simultaneous detection of both the Lyman-Alpha emission and the Lyman break from a z = 7.512 +/- 0.004 galaxy, observed in the Faint Infrared Grism Survey (FIGS). These spectra, taken with G102 grism on Hubble SpaceTelescope (HST), show a significant emission line detection (6 Sigma) in two observational position angles (PA), with Lyman-Alpha line flux of 1.06 +/- 0.19 x 10(exp -17) erg s(exp -1) cm(exp -2). The line flux is nearly a factor of four higher than in the archival MOSFIRE spectroscopic observations. This is consistent with other recent observations implying that ground-based near-infrared spectroscopy underestimates total emission line fluxes, and if confirmed, can have strong implications for reionization studies that are based on ground-based Lyman-Alpha measurements. A 4-Alpha detection of the NV line in one PA also suggests a weak Active Galactic Nucleus (AGN), and if confirmed would make this source the highest-redshift AGN yet found.These observations from the Hubble Space Telescope thus clearly demonstrate the sensitivity of the FIGS survey, and the capability of grism spectroscopy to study the epoch of reionization.

Faint Galaxy Z=7.51↗

Developmental Considerations on the Free-Piston Stirling Power Convertor for Use in Space

Free-piston Stirling power conversion has been considered a candidate for radioisotope power systems for space for more than a decade. Prior to the free-piston Stirling architecture, systems were designed with kinematic Stirling engines with rotary alternators to convert heat to electricity. These systems were proposed with lightly loaded linkages to achieve the necessary life. When the free-piston configuration was initially proposed, it was thought to be attractive due to the relatively high conversion efficiency, acceptable mass, and the potential for long life and high reliability. These features have consistently been recognized by teams that have studied technology options for radioisotope power systems. Since free-piston Stirling power conversion was first considered for space power applications, there have been major advances in three general areas of development: demonstration of life and reliability, the success achieved by Stirling cryocoolers in flight, and the overall developmental maturity of the technology for both flight and terrestrial applications. Based on these advances, free-piston Stirling convertors are currently being developed for a number of terrestrial applications. They commonly operate with the power, efficiency, life, and reliability as intended, and much of the development now centers on system integration. This paper will summarize the accomplishments of free-piston Stirling power conversion technology over the past decade, review the status, and discuss the challenges that remain.

Schreiber, Jeffrey G.↗

Developmental Considerations on the Free-piston Stirling Power Convertor for Use in Space

Free-piston Stirling power conversion has been considered a candidate for radioisotope power systems for space for more than a decade. Prior to the free-piston Stirling architecture, systems were designed with kinematic Stirling engines with rotary alternators to convert heat to electricity. These systems were proposed with lightly loaded linkages to achieve the necessary life. When the free-piston configuration was initially proposed, it was thought to be attractive due to the relatively high conversion efficiency, acceptable mass, and the potential for long life and high reliability. These features have consistently been recognized by teams that have studied technology options for radioisotope power systems. Since free-piston Stirling power conversion was first considered for space power applications, there have been major advances in three general areas of development: demonstration of life and reliability, the success achieved by Stirling cryocoolers in flight, and the overall developmental maturity of the technology for both flight and terrestrial applications. Based on these advances, free-piston Stirling convertors are currently being developed for a number of terrestrial applications. They commonly operate with the power, efficiency, life, and reliability as intended, and much of the development now centers on system integration. This paper will summarize the accomplishments of free-piston Stirling power conversion technology over the past decade, review the status, and discuss the challenges that remain.

Schreiber, Jeffrey G.↗

Real World Use Case Evaluation of Radar Retro-reflectors for Autonomous Vehicle Lane Detection Applications

Lane detection plays a critical role in autonomous vehicles for safe and reliable navigation. Lane detection is traditionally accomplished using a camera sensor and computer vision processing. The downside of this traditional technique is that it can be computationally intensive when high quality images at a fast frame rate are used and has reliability issues from occlusion such as, glare, shadows, active road construction, and more. This study addresses these issues by exploring alternative methods for lane detection in specific scenarios caused from road construction-induced lane shift and sun glare. Specifically, a U-Net, a convolutional network used for image segmentation, camera-based lane detection method is compared with a radar-based approach using a new type of sensor previously unused in the autonomous vehicle space: radar retro-reflectors. This evaluation is performed using ground truth data, obtained by measuring the lane positions and transforming them into pixel coordinates. The performance of each method is assessed using the statistical R2 score, indicating the correlation between the detected lane lines and the ground truth. The results show that the U-Net camera-based method exhibits limitations in accurately detecting and aligning the lane lines, particularly in challenging scenarios. However, the radar-based lane detection method demonstrates a strong correlation with the ground truth which implies that the use of this sensor may improve current reliability issues from conventional camera lane detection approach. Furthermore, the study highlights the limitations of the U-Net model for camera lane detection, especially in scenarios with sun glare. This study shows that infrastructure-based radar retro-reflectors can improve autonomous vehicle lane detection reliability. The integration of different sensor modalities and the development of advanced computer vision algorithms are crucial for improving the accuracy, reliability, and energy efficiency of lane detection systems. Addressing these challenges contributes to the advancement of autonomous vehicles and the realization of safer and more efficient transportation systems.

Brown, Nicolas E.↗

On the impact of tidal generation and energy storage integration in PV-rich electric distribution systems

Deep decarbonization of power system operations requires the maximal utilization of available renewable resources. At distribution-level operations, however, grid operators can face numerous challenges in integrating renewables at scale owing to the inherent intermittence of renewable energy resources. These include phenomena such as voltage fluctuations, which are typically mitigated through control actuators such as on-load tap changers (OLTC) as well as energy storage devices, such as battery energy storage systems (BESS). On the one hand, high intermittence of the available renewable portfolio may require increasingly aggressive control of actuators, thereby accelerating the probability of equipment failure. On the other hand, integrating BESS operations and having a diverse renewable generation portfolio can typically help stagger power/energy flow to mitigate the aforementioned adverse impacts. In this paper, we employ a Bayesian framework for equipment lifetime estimation to understand the impact of including tidal energy resources and BESS in distribution system operations for feeders having substantial distribution photovoltaic generation. Our results indicate that while tidal energy alone may slightly decrease equipment reliability, the adverse impact on reliability is significantly magnified by a generation portfolio consisting of tidal generation and photovoltaic generation. Here, we also study the tidal and photovoltaic hosting capacity problem with and without energy storage systems using equipment reliability as an added constraint. We conclude that energy storage increases the reliability-constrained hosting capacity of the distribution system.

14 SOLAR ENERGY↗

Towards Z-Next: The Integration of Theory, Experiments, and Computational Simulation in a Bayesian Data Assimilation Framework

Making reliable predictions in the presence of uncertainty is critical to high-consequence modeling and simulation activities, such as those encountered at Sandia National Laboratories. Surrogate or reduced-order models are often used to mitigate the expense of performing quality uncertainty analyses with high-fidelity, physics-based codes. However, phenomenological surrogate models do not always adhere to important physics and system properties. This project develops surrogate models that integrate physical theory with experimental data through a maximally-informative framework that accounts for the many uncertainties present in computational modeling problems. Correlations between relevant outputs are preserved through the use of multi-output or co-predictive surrogate models; known physical properties (specifically monotoncity) are also preserved; and unknown physics and phenomena are detected using a causal analysis. By endowing surrogate models with key properties of the physical system being studied, their predictive power is arguably enhanced, allowing for reliable simulations and analyses at a reduced computational cost.

97 MATHEMATICS AND COMPUTING↗

Integrated Application of Active Controls (IAAC) technology to an advanced subsonic transport project: Current and advanced act control system definition study. Volume 2: Appendices

The current status of the Active Controls Technology (ACT) for the advanced subsonic transport project is investigated through analysis of the systems technical data. Control systems technologies under examination include computerized reliability analysis, pitch axis fly by wire actuator, flaperon actuation system design trade study, control law synthesis and analysis, flutter mode control and gust load alleviation analysis, and implementation of alternative ACT systems. Extensive analysis of the computer techniques involved in each system is included.

Hanks, G. W.↗

Strategies to Obtain Reliable Energy Landscapes from Embedded Multireference Correlated Wavefunction Methods for Surface Reactions

Embedded correlated wavefunction (ECW) theory is a powerful tool for studying ground- and excited-state reaction mechanisms and associated energetics in heterogeneous catalysis. Several factors are important to obtaining reliable ECW energies, critically the construction of consistent active spaces (ASs) along reaction pathways when using a multireference correlated wavefunction (CW) method that relies on a subset of orbital spaces in the configuration interaction expansion to account for static electron correlation, e.g., complete AS self-consistent field theory, in addition to the adequate partitioning of the system into a cluster and environment, as well as the choice of a suitable basis set and number of states included in excited-state simulations. Here, in this work, we conducted a series of systematic studies to develop best-practice guidelines for ground- and excited-state ECW theory simulations, utilizing the decomposition of NH 3 on Pd(111) as an example. We determine that ECW theory results are relatively insensitive to cluster size, the aug-cc-pVDZ basis set provides an adequate compromise between computational complexity and accuracy, and that a fixed-clean-surface approximation holds well for the derivation of the embedding potential. Additionally, we demonstrate that a merging approach, which involves generating ASs from the molecular fragments at each configuration, is preferable to a creeping approach, which utilizes ASs from adjacent structures as an initial guess, for the generation of consistent potential energy curves involving open-d-shell metal surfaces, and, finally, we show that it is essential to include bands of excited states in their entirety when simulating excited-state reaction pathways.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An Approach to Dynamic Human Reliability Analysis using EMRALD Dynamic Risk Assessment Tool

Research for dynamic human reliability analysis (HRA) (a.k.a., simulation-based or computation-based HRA) has been required, as many researchers have emphasized the importance of dynamic approaches to probabilistic safety assessment (PSA). This study proposes the PRocedure-based Investigation Method of EMRALD Risk Assessment – Human Reliability Analysis (PRIMERA-HRA) method, which is an approach to dynamic HRA using the Event Modeling Risk Assessment using Linked Diagram (EMRALD) software developed by Idaho National Laboratory (INL). In this study, how to model human actions using the software and evaluate the error probabilities is suggested. The applicability of this approach will be also investigated through an extended loss of AC power (ELAP) scenario. Then, major insights from this dynamic HRA approach against the static one will be discussed in the paper.

99 GENERAL AND MISCELLANEOUS↗

"Ultra"-Fast Fracture Strength of Advanced Structural Ceramic Materials Studied at Elevated Temperatures

The accurate determination of inert strength is important in reliable life prediction of structural ceramic components. At ambient temperature, the inert strength of a brittle material is typically regarded as free of the effects of slow crack growth due to stress corrosion. Therefore, the inert strength can be determined either by eliminating active species, especially moisture, with an appropriate inert medium, or by using a very high test rate. However, at elevated temperatures, the concept or definition of the inert strength of brittle ceramic materials is not clear, since temperature itself is a degrading environment, resulting in strength degradation through slow crack growth and/or creep. Since the mechanism to control strength is rate-dependent viscous flow, the only conceivable way to determine the inert strength at elevated temperatures is to utilize a very fast test rate that either minimizes the time for or eliminates slow crack growth. Few experimental studies have measured the elevated-temperature, inert (or "ultra"-fast fracture) strength of advanced ceramics. At the NASA Lewis Research Center, an experimental study was initiated to better understand the "ultra"-fast fracture strength behavior of advanced ceramics at elevated temperatures. Fourteen advanced ceramics - one alumina, eleven silicon nitrides, and two silicon carbides - have been tested using constant stress-rate (dynamic fatigue) testing in flexure with a series of stress rates including the "ultra"-fast stress rate of 33 000 MPa/sec with digitally controlled test frames. The results for these 14 advanced ceramics indicate that, notwithstanding possible changes in flaw populations as well as flaw configurations because of elevated temperatures, the strength at 33 000 MPa/sec approached the room-temperature strength or reached a higher value than that determined at the conventional test rate of 30 MPa/sec. On the basis of the experimental data, it can be stated that the elevated-temperature, inert strength of an advanced ceramic material can be defined as the strength where no slow crack growth takes place at the temperature.

Choi, Sung R.↗