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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 1,009 records · Page 56

Structure and Transport Properties of Dense Polycrystalline Clathrate-II (K,Ba)16(Ga,Sn)136 Synthesized by a New Approach Employing SPS

Tin clathrate-II framework-substituted compositions are of current interest as potential thermoelectric materials for medium-temperature applications. A review of the literature reveals different compositions reported with varying physical properties, which depend strongly on the exact composition as well as the processing conditions. We therefore initiated an approach whereby single crystals of two different (K,Ba)16(Ga,Sn)136 compositions were first obtained, followed by grinding of the crystals into fine powder for low temperature spark plasma sintering consolidation into dense polycrystalline solids and subsequent high temperature transport measurements. Powder X-ray refinement results indicate that the hexakaidecahedra are empty, K and Ba occupying only the decahedra. Their electrical properties depend on composition and have very low thermal conductivities. The structural and transport properties of these materials are compared to that of other Sn clathrate-II compositions.

36 MATERIALS SCIENCE↗

Model Calibration vs. Physics-guided Coverage Mapping: Case Study - Pressure Drop Calculations

This work deals with a fundamental question in model validation: given a body of available experiments and an envisaged domain of nuclear reactor operating conditions (referred to as the reactor application), how can one develop a quantitative approach that measures the portion of the prior uncertainties of the reactor application that is covered by the available experiments? Coverage here means that the uncertainties of the reactor application are originating from and behaving in exactly the same way as those observed at the experimental conditions. This approach is valuable as it provides a scientifically defendable criterion by which experimentally measured biases can be credibly extrapolated (i.e., mapped) to biases for the reactor applications. This work focuses on the application of a new methodology, referred to as physics-guided coverage mapping (PCM), to the estimation of hydraulic pressure losses in reactor pipes. PCM provides a generic, calibration-free approach to the mapping of experimental biases by relying on high fidelity physics simulation and information theoretic measure how much of the application domain is covered by the experiments. The idea is to employ the physics models to establish a joint probability distribution that relates the application and the available body of experiments. An information-theoretic measure, referred to as the mutual information, is used to calculate a quantitative metric that measures the inter-dependence between the application and the experiment. A virtual experiment is employed to demonstrate the application of PCM, wherein the pressure drop is calculated for both the experiment and the application using two different flow conditions, i.e., laminar and turbulent, and the experimental values are simulated. All parameters introducing uncertainties, such as geometry, friction factor formulas and their associated parameters are also incorporated. The results obtained with PCM are compared to a conventional calibration-based approach. This work show that the proposed approach can circumvent a number of challenges that face calibration-based methods, such as nonlinearity, ill-posedness and error compensation in high dimensional models with many parameters. This work focus primarily in this summary on parameter uncertainties and how they can be treated using PCM. In a separate summary, discuss performance of PCM under the presence of modeling uncertainties. This simple study has shown that calibration techniques for very simple situations cannot correctly scale the measurements from the experimental to the application domain. It is our view that is occurs primarily due the phenomenon of error compensation where on artificially changes the value of selected parameters to account for all sources of uncertainties. The situation gets more complicated when one calibrates multiple parameters where now the problem could potentially have an infinite number of ways by which the errors can be compensated. (authors)

42 ENGINEERING↗

A time domain, weighted residual formulation of Maxwell's equations

A finite element model is developed and used to simulate two-dimensional electromagnetic wave propagation and scattering. The spatial discretization of the time-domain electrodynamic equations is accomplished by a Galerkin approach. The semi-discrete equations are solved explicitly using a second-order Runge-Kutta scheme. Both the electric and magnetic fields are discretized using a single grid, with the divergence-free conditions satisfied through a correction approach. Examples depicting the scattering of plane waves in 2D geometries are given to demonstrate the validity of the methodology.

Young, Jeffrey L.↗

One-way nesting for a primitive equation ocean model

Prognostic numerical models for atmospheric and oceanic circulations require initial fields, boundary conditions, and forcing functions in addition to a consistent set of partial differential equations, including a state relation and equations expressing conservation of mass, momentum, and energy. Depending on the horizontal domain to be modeled, the horizontal boundary conditions are either physically obvious or extremely difficult to specify consistently. If the entire atmosphere is modeled, periodic horizontal boundary conditions are appropriate. On the other hand, the physical horizontal boundaries on the entire ocean are solid walls. Obviously, the normal velocity at a solid wall is zero while the specification of the tangential velocity depends on the mathematical treatment of the horizontal viscous terms. Limitations imposed by computer capacity and cost, as well as research interests, have led to the use of limited area models to study flows in the atmosphere and ocean. The limited area models do not have physical horizontal boundaries, merely numerical ones. Correctly determining these open boundary conditions for limited-area numerical models has both intrigued and frustrated numerical modelers for decades. One common approach is to use the closed or solid wall boundary conditions for a limited-area model. The argument given for this approach is that the boundary conditions affect flow near the walls but that none of these effects are propagated into the interior. Therefore, one chooses a big enough domain that the central region of interest is not corrupted by the boundary flow. Research in progress to model the North Atlantic circulation vividly illustrates the pitfalls of this approach. Two model runs are compared: (1) the southern boundary at 20S between latitudes 0 and 40W is artificially closed; and (2) the same boundary is specified as open with an inward transport of 15 Sv (determined from a global model with the same physics) uniformly spread across the boundary. A comparison of both runs is presented.

Blake, D. W.↗

Combining static analysis and state transition graphs for verification of event-condition-action systems in the RERS 2012 and 2013 challenges

In this work, we present a combination of approaches for the verification of event-condition-action (ECA) systems. The analyzed ECA systems range from structurally simple to structurally complex systems. We address the verification of reachability properties and behavioral properties. Reachability properties are represented by assertions in the program and we determine statically whether an assertion holds for all execution paths. Behavioral properties are represented as linear temporal logic formulas specifying the input/output behavior of the program. Our approach assumes a finite state space. We compare a symbolic analysis with an exhaustive state space exploration and discuss the trade-offs between the approaches in terms of the number of computed states and run-time behavior. All variants compute a state transition graph which can also be passed to an LTL verifier. The variants have a different impact on the number of computed states in the state transition graph which in turn impacts the run-time and memory consumption of subsequent phases. Finally, we evaluate the different analysis variants with the RERS benchmarks.

97 MATHEMATICS AND COMPUTING↗

Using degrees of rate control to improve selective n-butane oxidation over model MOF-encapsulated catalysts: sterically-constrained Ag 3 Pd(111)

Metal nanoparticles encapsulated within metal organic frameworks (MOFs) offer steric restrictions near the catalytic metal that can improve selectivity, much like in enzymes. A microkinetic model is developed for the regio-selective oxidation of n -butane to 1-butanol with O 2 over a model for MOF-encapsulated bimetallic nanoparticles. The model consists of a Ag 3 Pd(111) surface decorated with a 2-atom-thick ring of (immobile) helium atoms which creates an artificial pore of similar size to that in common MOFs, which sterically constrains the adsorbed reaction intermediates. The kinetic parameters are based on energies calculated using density functional theory (DFT). The microkinetic model was analysed at 423 K to determine the dominant pathways and which species (adsorbed intermediates and transition states in the reaction mechanism) have energies that most sensitively affect the reaction rates to the different products, using degree-of-rate-control (DRC) analysis. This analysis revealed that activation of the C–H bond is assisted by adsorbed oxygen atoms, O*. Unfortunately, O* also abstracts H from adsorbed 1-butanol and butoxy as well, leading to butanal as the only significant product. This suggested to (1) add water to produce more OH*, thus inhibiting these undesired steps which produce OH*, and (2) eliminate most of the O 2 pressure to reduce the O* coverage, thus also inhibiting these steps. Combined with increasing butane pressure, this dramatically improved the 1-butanol selectivity (from 0 to 95%) and the rate (to 2 molecules per site per s). Moreover, 40% less O 2 was consumed per oxygen atom in the products. Under these conditions, a terminal H in butane is directly eliminated to the Pd site, and the resulting adsorbed butyl combines with OH* to give the desired 1-butanol. These results demonstrate that DRC analysis provides a powerful approach for optimizing catalytic process conditions, and that highly selectivity oxidation can sometimes be achieved by using a mixture of O 2 and H 2 O as the oxidant. This was further demonstrated by DRC analysis of a second microkinetic model based on a related but hypothetical catalyst, where the activation energies for two of the steps were modified.

catalysis (heterogeneous), materials and chemistry↗

Near-Body Mesh Adaption for Transitional Flows Using OVERFLOW

Accurate modeling of boundary-layer transition is an important aspect of developing greener air transport technologies. In that regard, transition models based on auxiliary transport equations offer a robust approach that is easily integrated into the Reynolds-averaged Navier-Stokes (RANS) solvers. Recent workshops under NATO and AIAA have identified the verification of transport-equations-based transition modeling as a critical aspect of reducing the scatter between the predictions of different CFD codes. Follow-on work has highlighted the need for highly dense grids to achieve an asymptotic convergence of transition related flow metrics. The present work examines the role of automatic near-body mesh adaptation capability in the NASA OVERFLOW CFD solver to enable verification studies in an efficient manner, and for establishing best practices for designing grids for the RANS-based transition models. A sensor function relevant to the Langtry-Menter \gamma-Re_{\theta t}\ transition model has been identified and used for error-based mesh adaptation for canonical configurations comprising a flat plate, and the S809 and NLR-7301 airfoils. The efficacy of the mesh adaptation approach is assessed for flow conditions involving multiple transition scenarios such as natural transition, separation-induced transition, and shock-induced transition. The results from this exploratory study indicate that the meshes adapted using the proposed sensor provide solutions that approach the references solutions obtained with uniformly refined hand-crafted meshes, in terms of the chosen metrics, and yield modest yet significant savings in grid count. We also highlight areas for improvement in the grid adaptation methodology within OVERFLOW.

CFD↗

Near-Body Mesh Adaption for Transitional Flows Using OVERFLOW

Accurate modeling of boundary-layer transition is an important aspect of developing greener air transport technologies. In that regard, transition models based on auxiliary transport equations offer a robust approach that is easily integrated into the Reynolds-averaged Navier-Stokes (RANS) solvers. Recent workshops under NATO and AIAA have identified the verification of transport-equations-based transition modeling as a critical aspect of reducing the scatter between the predictions of different CFD codes. Follow-on work has highlighted the need for highly dense grids to achieve an asymptotic convergence of transition related flow metrics. The present work examines the role of automatic near-body mesh adaptation capability in the NASA OVERFLOW CFD solver to enable verification studies in an efficient manner, and for establishing best practices for designing grids for the RANS-based transition models. A sensor function relevant to the Langtry-Menter \gamma-Re_{\theta t}\ transition model has been identified and used for error-based mesh adaptation for canonical configurations comprising a flat plate, and the S809 and NLR-7301 airfoils. The efficacy of the mesh adaptation approach is assessed for flow conditions involving multiple transition scenarios such as natural transition, separation-induced transition, and shock-induced transition. The results from this exploratory study indicate that the meshes adapted using the proposed sensor provide solutions that approach the references solutions obtained with uniformly refined hand-crafted meshes, in terms of the chosen metrics, and yield modest yet significant savings in grid count. We also highlight areas for improvement in the grid adaptation methodology within OVERFLOW.

CFD↗

Towards universal unfolding of detector effects in high-energy physics using denoising diffusion probabilistic models

Correcting for detector effects in experimental data, particularly through unfolding, is critical for enabling precision measurements in high-energy physics. However, traditional unfolding methods face challenges in scalability, flexibility, and dependence on simulations. We introduce a novel approach to multidimensional object-wise unfolding using conditional Denoising Diffusion Probabilistic Models (cDDPM). Our method utilizes the cDDPM for a non-iterative, flexible posterior sampling approach, incorporating distribution moments as conditioning information, which exhibits a strong inductive bias that allows it to generalize to unseen physics processes without explicitly assuming the underlying distribution. Our results highlight the potential of this method as a step towards a "universal" unfolding tool that reduces dependence on truth-level assumptions, while enabling the unfolding of a wide range of measured distributions with improved adaptability and accuracy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Canonical quantization theory of general singular QED system of Fermi field interaction with generally decomposed gauge potential

Quantization theory gives rise to transverse phonons for the traditional Coulomb gauge condition and to scalar and longitudinal photons for the Lorentz gauge condition. We describe a new approach to quantize the general singular QED system by decomposing a general gauge potential into two orthogonal components in general field theory, which preserves scalar and longitudinal photons. Using these two orthogonal components, we obtain an expansion of the gauge-invariant Lagrangian density, from which we deduce the two orthogonal canonical momenta conjugate to the two components of the gauge potential. We then obtain the canonical Hamiltonian in the phase space and deduce the inherent constraints. In terms of the naturally deduced gauge condition, the quantization results are exactly consistent with those in the traditional Coulomb gauge condition and superior to those in the Lorentz gauge condition. Moreover, we find that all the nonvanishing quantum commutators are permanently gauge-invariant. A system can only be measured in physical experiments when it is gauge-invariant. The vanishing longitudinal vector potential means that the gauge invariance of the general QED system cannot be retained. This is similar to the nucleon spin crisis dilemma, which is an example of a physical quantity that cannot be exactly measured experimentally. However, the theory here solves this dilemma by keeping the gauge invariance of the general QED system. -- Highlights: •We decompose the general gauge potential into two orthogonal parts according to general field theory. •We identify a new approach for quantizing the general singular QED system. •The results obtained are superior to those for the Lorentz gauge condition. •The theory presented solves dilemmas such as the nucleon spin crisis.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

On exact-WKB analysis, resurgent structure, and quantization conditions

There are two well-known approaches to studying nonperturbative aspects of quantum mechanical systems: saddle point analysis of the partition functions in Euclidean path integral formulation and the exact-WKB analysis based on the wave functions in the Schrödinger equation. In this work, based on the quantization conditions obtained from the exact-WKB method, we determine the relations between the two formalism and in particular show how the two Stokes phenomena are connected to each other: the Stokes phenomenon leading to the ambiguous contribution of different sectors of the path integral formulation corresponds to the change of the “topology” of the Stoke curves in the exact-WKB analysis. We also clarify the equivalence of different quantization conditions including Bohr-Sommerfeld, path integral and Gutzwiller’s ones. In particular, by reorganizing the exact quantization condition, we improve Gutzwiller’s analysis in a crucial way by bion contributions (incorporating complex periodic paths) and turn it into an exact result. Furthermore, we argue the novel meaning of quasi-moduli integral and provide a relation between the Maslov index and the intersection number of Lefschetz thimbles.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Methodology for Estimating Purchased Prices of Energy-efficient Motors Internationally and Results for Selected Countries

Motor-driven systems accounts for approximately 60% of manufacturing final electricity use worldwide. Setting standards and designing policies to increase the energy efficiency of the electric motor stocks in a country is a complex process that requires substantial amount of data and analysis. One of the key data needed for this purpose is the purchase price of electric motors in local market conditions. This study was conducted to develop a bottom-up approach to estimate the purchase price of electric motors in different countries/regions for different sizes, number of poles, enclosures, and efficiency levels by adjusting a recent analysis from the U.S to local parameters. The methodology allows for estimates of manufacturer selling prices, along with other costs associated with the distribution channel to calculate purchase prices for different efficiency levels, in different economies. In this report, we provide preliminary results for selected countries/regions in order to illustrate the possible applications of our analysis. Despite the uncertainties due to specific market conditions, this approach can be used by analysts, industry experts, policy makers, and other interested parties to have a more systematic way to estimate the purchase price of electric motors at the country level and use such prices in cost-benefit analyses and cost-effectiveness of higher energy efficiency standards for electric motors.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Effect of Trailing Edge Flow Injection on Fan Noise and Aerodynamic Performance

An experimental investigation using trailing edge blowing for reducing fan rotor/guide vane wake interaction noise was completed in the NASA Glenn 9- by 15-foot Low Speed Wind Tunnel. Data were acquired to measure noise, aerodynamic performance, and flow features for a 22" tip diameter fan representative of modern turbofan technology. The fan was designed to use trailing edge blowing to reduce the fan blade wake momentum deficit. The test objective was to quantify noise reductions, measure impacts on fan aerodynamic performance, and document the flow field using hot-film anemometry. Measurements concentrated on approach, cutback, and takeoff rotational speeds as those are the primary conditions of acoustic interest. Data are presented for a 2% (relative to overall fan flow) trailing edge injection rate and show a 2 dB reduction in Overall Sound Power Level (OAPWL) at all fan test speeds. The reduction in broadband noise is nearly constant and is approximately 1.5 dB up to 20 kHz at all fan speeds. Measurements of tone noise show significant variation, as evidenced by reductions of up to 6 dB in the 2 BPF tone at 6700 rpm.: and increases of nearly 2 dB for the 4 BPF tone at approach speed. Aerodynamic performance measurements show the fan with 2 % injection has an overall efficiency that is comparable to the baseline fan and operates, as intended, with nearly the same pressure ratio and mass flow parameters. Hot-film measurements obtained at the approach operating condition indicate that mean blade wake filling in the tip region was not as significant as expected. This suggests that additional acoustic benefits could be realized if the trailing edge blowing could be modified to provide better filling of the wake momentum deficit. Nevertheless, the hot-film measurements indicate that the trailing edge blowing provided significant reductions in blade wake turbulence. Overall, these results indicate that further work may be required to fully understand the proper implementation of injecting flow at/near the trailing edge as a wake filling strategy. However, data do support the notion that noise reductions can be realized not only for tones but perhaps more importantly, also for broadband. Furthermore, the technique can be implemented without adversely effecting overall fan aerodynamic performance.

Fite, E. Brian↗

A physics-based parametric regression approach for feedwater pump system diagnosis

Here in this paper, we assessed the performance of a model-based approach for fault diagnosis of a nuclear power plant feedwater pump system. Physics-based models were constructed to monitor the performance of the system components. Plant data were used for the calibration of the models and subsequently in the diagnosis of abnormal events. We considered two real-time events representing scenarios of a pump fault and component performance degradation. The two events were correctly diagnosed, and the results demonstrated the high detection sensitivity of the physics-based models. Various sensor fault scenarios were simulated to show the capability of the approach to detect and uniquely identify sensor faults. Results for a scenario in which the plant operated in flexible power mode also showed that the diagnostic approach is insensitive to changes of operating conditions, which is one of the advantages of the model-based approach using physics-based models over purely data-driven approach.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

On the use of reverse Brownian motion to accelerate hybrid simulations

Multiscale and multiphysics simulations are two rapidly developing fields of scientific computing. Efficient coupling of continuum (deterministic or stochastic) constitutive solvers with their discrete (stochastic, particle-based) counterparts is a common challenge in both kinds of simulations. We focus on interfacial, tightly coupled simulations of diffusion that combine continuum and particle-based solvers. The latter employs the reverse Brownian motion (rBm), a Monte Carlo approach that allows one to enforce inhomogeneous Dirichlet, Neumann, or Robin boundary conditions and is trivially parallelizable. We discuss numerical approaches for improving the accuracy of rBm in the presence of inhomogeneous Neumann boundary conditions and alternative strategies for coupling the rBm solver with its continuum counterpart. Numerical experiments are used to investigate the convergence, stability, and computational efficiency of the proposed hybrid algorithm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Summary of available data for estimating chloride-induced SCC crack growth rates for 304/316 stainless steel

The majority of existing dry storage systems used for spent nuclear fuel (SNF) consist of a welded 304 stainless steel container placed within a passively-ventilated concrete or steel overpack. More recently fielded systems are constructed with dual certified 304/304L and in some cases, 316 or 316L. In service, atmospheric salts, a portion of which will be chloride bearing, will be deposited on the surface of these containers. Initially, the stainless steel canister surface temperatures will be high (exceeding the boiling point of water in many cases) due to decay heat from the SNF. As the SNF cools over time, the container surface will also cool, and deposited salts will deliquesce to form potentially corrosive chloride-rich brines. Because austenitic stainless steels are prone to chloride-induced stress corrosion cracking (CISCC), the concern has been raised that SCC may significantly impact long-term canister performance. While the susceptibility of austenitic stainless steels to CISCC in the general sense is well known, the behavior of SCC cracks (i.e., initiation and propagation behavior) under the aforementioned atmospheric conditions is poorly understood. A literature survey has been performed to identify SCC crack growth rate (CGR) studies conducted utilizing conditions that may be relevant to existing SNF interim storage canisters, the results of which are presented in this document. The data presented here have been restricted to those representing atmospheric corrosion of stainless steels due to deliquescence of marine salts, or marine salt components, on the metal surface. A suite of experimental studies representing both long-term field tests and accelerated laboratory tests has been identified. Potentially relevant data are summarized in Figures 1-1 (304 SS) and Figure 1-2 (316 SS). In the Figures, when a particular reference utilized a series of samples, the range is shown as a bar, and the average value shown with a symbol. A summary of the test methods, sample geometry, and environmental conditions for each study is given in Table 1-1. While the surveyed studies all explore SCC of austenitic stainless steels under atmospheric conditions, the methods through which each researcher approached the problem do differ, as illustrated in Table 1-1. The surveyed studies utilized a variety of metal treatments including as-fabricated, solution annealed, welded, and sensitized material. Furthermore, different surface treatments (polished vs ground) were also used. In addition, most of these studies were accomplished using techniques that are not generally accepted for high-fidelity crack growth rate measurements, and in cases where more traditional approaches were taken, these methodologies may not be applicable to the atmospheric conditions of interest here. The wide variety of methods and materials results in the observed large scatter in measured CGRs. Each of the data sets in Figures 1-1 and 1-2 is described in more detail in the following sections. A short summary of crack growth rates based on operational experience is also presented.

36 MATERIALS SCIENCE↗

What Can We Learn From Resilient Pilot Behaviors? The Case of Energy Management While Flying a Star

Recently, there has been increased interest in documenting flightcrew behaviors that contribute to safe operations. Instead of only capturing errors, new efforts are attempting to understand how pilots manage complexity and variability in the operational environment to ensure a safe mission. This approach highlights pilot responses to events and conditions that fall outside typical TEM threats; e.g., revised ATC clearances. This approach presents a two-sided coin: characterize flightcrew resilience /or/ generate insights regarding complexity in the operational environment that is not adequately managed by current flight deck interface designs, procedures, and training. To capture operational complexity, we have been analyzing flight path management tied to flying an RNAV STAR. Because ATC often requests revisions—e.g., descend late—and because RNAV STARs may not align with airplane performance limits, flightcrews need to monitor, anticipate threats to RNAV STAR compliance, and devise ways to accommodate unexpected challenges. In this paper, we identify general strategies that can support response adaptation and explore methods to facilitate training these strategies.

flight operations↗