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At least 685 records · Page 38

Thermal barrier coating life-prediction model development

The primary objective of this program was to develop an operative thermal barrier coating (TBC) design model for life prediction. The objective was successfully accomplished with the development, calibration, and demonstration of a mechanistic thermochemical model which rapidly predicts TBC life as a function of engine, mission, and materials system parameters. This thermochemical design model accounts for the three operative TBC damage modes (bond coating oxidation, zirconia toughness reduction, and molten salt film damage), which all contribute to spalling of the insulating zirconia layer.

Strangman, T. E.↗

Weight minimization of a support structure

This paper addresses the weight minimization of a circular plate-like structure which resulted in a 26 percent weight reduction. The optimization was performed numerically with the COPES/ADS program using the modified method of feasible directions. Design parameters were the inner thickness and outer thickness of the plate with constraints on maximum yield stress and maximum transverse displacement. Also, constraints were specified for the upper and lower bounds of the fundamental frequency and plate thicknesses. The MSC/NASTRAN finite element program was used for the evaluation of response variables. Original and final designs of the plate were tested using an Instron tension-compression machine to compare finite element results to measured strain data. The difference between finite element strain components and measured strain data was within engineering accuracy.

Kluberdanz, Donald J.↗

Orion Absolute Navigation System Progress and Challenges

The Orion spacecraft is being designed as NASA's next-generation exploration vehicle for crewed missions beyond Low-Earth Orbit. The navigation system for the Orion spacecraft is being designed in a Multi-Organizational Design Environment (MODE) team including contractor and NASA personnel. The system uses an Extended Kalman Filter to process measurements and determine the state. The design of the navigation system has undergone several iterations and modifications since its inception, and continues as a work-in-progress. This paper seeks to benchmark the current state of the design and some of the rationale and analysis behind it. There are specific challenges to address when preparing a timely and effective design for the Exploration Flight Test (EFT-1), while still looking ahead and providing software extensibility for future exploration missions. The primary measurements in a Near-Earth or Mid-Earth environment consist of GPS pseudorange and deltarange, but for future explorations missions the use of star-tracker and optical navigation sources need to be considered. Discussions are presented for state size and composition, processing techniques, and consider states. A presentation is given for the processing technique using the computationally stable and robust UDU formulation with an Agee-Turner Rank-One update. This allows for computational savings when dealing with many parameters which are modeled as slowly varying Gauss-Markov processes. Preliminary analysis shows up to a 50% reduction in computation versus a more traditional formulation. Several state elements are discussed and evaluated, including position, velocity, attitude, clock bias/drift, and GPS measurement biases in addition to bias, scale factor, misalignment, and non-orthogonalities of the accelerometers and gyroscopes. Another consideration is the initialization of the EKF in various scenarios. Scenarios such as single-event upset, ground command, pad alignment, cold start are discussed as are strategies for whole and partial state updates as well as covariance considerations. Strategies are given for dealing with latent measurements and high-rate propagation using multi-rate architecture. The details of the rate groups and the data ow between the elements is discussed and evaluated.

Holt, Greg N.↗

Orion Absolute Navigation System Progress and Challenge

The absolute navigation design of NASA's Orion vehicle is described. It has undergone several iterations and modifications since its inception, and continues as a work-in-progress. This paper seeks to benchmark the current state of the design and some of the rationale and analysis behind it. There are specific challenges to address when preparing a timely and effective design for the Exploration Flight Test (EFT-1), while still looking ahead and providing software extensibility for future exploration missions. The primary onboard measurements in a Near-Earth or Mid-Earth environment consist of GPS pseudo-range and delta-range, but for future explorations missions the use of star-tracker and optical navigation sources need to be considered. Discussions are presented for state size and composition, processing techniques, and consider states. A presentation is given for the processing technique using the computationally stable and robust UDU formulation with an Agee-Turner Rank-One update. This allows for computational savings when dealing with many parameters which are modeled as slowly varying Gauss-Markov processes. Preliminary analysis shows up to a 50% reduction in computation versus a more traditional formulation. Several state elements are discussed and evaluated, including position, velocity, attitude, clock bias/drift, and GPS measurement biases in addition to bias, scale factor, misalignment, and non-orthogonalities of the accelerometers and gyroscopes. Another consideration is the initialization of the EKF in various scenarios. Scenarios such as single-event upset, ground command, and cold start are discussed as are strategies for whole and partial state updates as well as covariance considerations. Strategies are given for dealing with latent measurements and high-rate propagation using multi-rate architecture. The details of the rate groups and the data ow between the elements is discussed and evaluated.

Holt, Greg N.↗

Wake interference for a heated oscillating cylinder

Penney and Jefferson (1966) have studied heat transfer from an oscillating, horizontal wire. The present investigation has the objective to determine the governing parameters which indicate when interaction between an oscillating circular cylinder and its wake will reduce the apparent heat transfer coefficient in quasi-steady conditions, taking into account, if possible, also the determination of the approximate magnitude of the reduction. A definition is provided of a nondimensional vertical mass flux, representing the induced flow due to heating of the stagnant fluid. It is hypothesized that the flux is related to a natural convection parameter which describes the heating of the wake. For oscillation of a circular cylinder in air under the conditions studied, it is found that the application of a cross-flow correlation in a quasi-steady, transient analysis predicts heat transfer parameters in close agreement with experiment over a certain range, provided interaction with the heated wake is avoided.

Mceligot, D. M.↗

RALPH: An online computer program for acquisition and reduction of pulse height data

A background/foreground data acquisition and analysis system incorporating a high level control language was developed for acquiring both singles and dual parameter coincidence data from scintillation detectors at the Radiation Counting Laboratory at the NASA Manned Spacecraft Center in Houston, Texas. The system supports acquisition of gamma ray spectra in a 256 x 256 coincidence matrix (utilizing disk storage) and simultaneous operation of any of several background support and data analysis functions. In addition to special instruments and interfaces, the hardware consists of a PDP-9 with 24K core memory, 256K words of disk storage, and Dectape and Magtape bulk storage.

Davies, R. C.↗

Sandwich Structure Risk Reduction in Support of the Payload Adapter Fitting

Reducing risk for utilizing honeycomb sandwich structure for the Space Launch System payload adapter fitting includes determining what parameters need to be tested for damage tolerance to ensure a safe structure. Specimen size and boundary conditions are the most practical parameters to use in damage tolerance inspection. The effect of impact over core splices and foreign object debris between the facesheet and core is assessed. Effects of enhanced damage tolerance by applying an outer layer of carbon fiber woven cloth is examined. A simple repair technique for barely visible impact damage that restores all compression strength is presented.

Nettles, A. T.↗

Nonvariational ADAPT algorithm for quantum simulations

We explore a nonvariational quantum state preparation approach combined with the ADAPT operator selection strategy in the application of preparing the ground state of a desired target Hamiltonian. In this algorithm, energy gradient measurements determine both the operators and the gate parameters in the quantum circuit construction. We compare this nonvariational algorithm with ADAPT-VQE and with feedback-based quantum algorithms in terms of the rate of energy reduction, the circuit depth, and the measurement cost in molecular simulation. We find that, despite using deeper circuits, this new algorithm reaches chemical accuracy at a similar measurement cost to ADAPT-VQE. Since it does not rely on a classical optimization subroutine, it may provide robustness against circuit parameter errors due to imperfect control or gate synthesis.

Tang'S, Ho Lun [Virginia Polytechnic Inst. and Sta↗

Development of a Transferable Density-Functional Tight-Binding Model for Organic Molecules at the Water/Platinum Interface

A computationally efficient and transferable approach for modeling reactions at metal/water interfaces could significantly accelerate our understanding and ultimately the development of new catalytic transformations, particularly in the context of the emerging field of biomass conversion. Here, we present a parametrization of Pt–X (X = H, O, C) density-functional tight-binding (DFTB) for addressing this need. We first constructed Pt–H, Pt–O, and Pt–C repulsive potential splines. These pairwise parameters were then augmented to include many-body interactions using the Chebyshev Interaction Model for Efficient Simulation (ChIMES). We compare the geometrical and energetic performances of both DFTB and DFTB/ChIMES methods with DFT reference data across a variety of organic molecules at the platinum surface from nanoparticles to single-crystal surfaces. DFTB shows limited transferability between extended crystal surfaces and small nanoparticles. This transferability is significantly improved through the introduction of three-body interactions with Pt in DFTB/ChIMES, which provides consistent results across various systems, with reductions in the RMSD from around 30 kcal/mol in DFTB to around 10 kcal/mol. We demonstrate the stability and reliability of the obtained parameters by performing metadynamic simulations for the adsorption of phenol on Pt(111). We observe that DFTB itself is undersolvating the surface, leading to only one or two chemisorbed water molecules in a c(4 × 6) unit cell. In contrast, DFTB/ChIMES leads to a coverage of about 0.5 ML and successfully captures the chemisorbed mode of phenol at both the solid/liquid and the solid/gas interfaces. Furthermore, in agreement with experimental measurements, the adsorption at the solid/liquid interface is significantly weaker than that at the solid/gas interface. As a result, we highlight that even with DFTB, where we can accumulate dynamics for more than 1 ns for a given system, the simulations are not fully converged.

Adsorption↗

AI-Enabled Discovery and Physics-Based Optimization of Energy Efficient Processing Strategies for Advanced Turbine Alloys (Final Technical Report)

In this project, the multi-organizational team of academic and industrial researchers from the University of Kentucky an aerospace and energy generation OEM partner has leveraged novel Digital Process Twin (DPT) models of process/structure interactions (i.e., process-induced surface integrity) to advance a paradigm of fully integrated computational materials engineering (ICME). Using efficient process models as the core of a digital process simulator for a reinforcement learning algorithm, the team has integrated industrial data and metrics of structure/performance/energy relationships and manufacturing-related energy metrics to optimize dynamic processing parameters for significantly improved life-cycle energy efficiency of advanced γ-TiAl low-pressure turbine (LPT) alloys, as indicated by a set of design relevant parameters (e.g., residual stresses and scrap rate). The key objective and anticipated outcome of the project was at least a 10% reduction in life-cycle embodied energy for a recently developed, γ-TiAl low-pressure turbine (LPT) alloy and nickel-based superalloy Inconel 718, through the adoption of the proposed AI-enabled process optimization approach. The final project outcomes significantly exceeded this original target, realizing manufacturing-related energy efficiency improvements of more than 130% for TiAl and up to 80% for Inconel 718. Rather than following the prevailing and highly inefficient empirical paradigm, the proposed study demonstrated the feasibility of adopting a digital, physics-based process design and optimization paradigm. The recurring need for manual intervention, rework, reinspection causes significant production bottlenecks and unnecessary expense associated with delivering the requisite component quality. The OEM partner, and turbine industry in general, expect to reap significant cost and resource savings if an AI-optimized set of parameters can be applied to specific machining operations. The technical scope of the proposed project involved the paving of a realistic path towards model-based and AI-enabled Integrated Computational Materials Engineering (ICME), and away from inefficient empirical process optimization and legacy manufacturing practices, which are no longer able to efficiently process novel high-performance turbine alloy materials. The project team will address the fundamental knowledge gap that currently exists within the ICME paradigm with respect to the process/structure/performance/energy impacts of finishing processes. While significant resources have been devoted to the ‘early stages’ of manufacturing, such as alloy design, primary and secondary processing, finishing processes have not been adequately integrated within ICME. To provide an actionable path towards model-based finishing process design (e.g., machining, burnishing, grinding, polishing), we will employ a novel AI-enabled process optimization paradigm, based on a computationally efficient, physics-based process simulator. Through limited experimental work to calibrate and validate our process simulator model via an advanced in-situ characterization technique and process optimization via reinforcement learning, the project will seek to demonstrate a viable alternative to the inefficient ‘legacy’ processing strategies, empirical testing and broad scope machining learning approaches, all of which fail to adequately consider complex process physics. The project team has identified an intermetallic γ-TiAl LPT alloy, which is currently being used as part of the OEM partner’s advanced gas turbine designs. This particular alloy poses significant manufacturing challenges during finishing operations, which limit the degree to which the current turbine design can be manufactured in an energy- and cost-efficient manner. Empirical testing and numerical modeling efforts to optimize processing parameters for γ-TiAl have not been able to resolve these manufacturing challenges, so the proposed physics-based AI-enabled optimization technology would offer a truly novel and transformative capability. The multi-organizational team of academic and industry experts from the UKY and the OEM partner will work together closely to demonstrate the analytical and experimental critical function and characteristic proof of concept of this novel approach.

20 FOSSIL-FUELED POWER PLANTS↗

The data acquisition system for the Anglo-Australian Observatory 2-degree field project

The Anglo-Australian Observatory (AAO) is building a system that will provide a two-degree field of view at prime focus. A robot positioner will be used to locate up to 400 optical fibers at pre-determined positions in this field. While observations are being made using one set of 400 fibers, the robot will be positioning a second set of fibers in a background field that can be moved in to replace the first when the telescope is moved to a new position. The fibers feed two spectrographs each with a 1024 square CCD detector. The software system being produced to control this involves Vaxes for overall control and data recording, UNIX workstations for fiber configuration calculations and on-line data reduction, and VME systems running VxWorks for real-time control of critical parts such as the positioner robot. The system has to be able to interact with the observatory's present data acquisition systems, which use the ADAM system. As yet, the real-time parts of ADAM have not been ported to Unix, and so we are having to produce a smaller-scale system that is similar but inherently distributed (which ADAM is not). We are using this system as a testbed for ideas that we hope may eventually influence an ADAM II system. The system we are producing is based on a message system that is designed to be able to handle inter-process and inter-processor messages of any length, efficiently, and without ever requiring a task to block (i.e., be unresponsive to 'cancel' messages, enquiry messages), other than when deliberately waiting for external input - all of which will be through such messages. The essential requirement is that a message 'send' operation should never be able to block. The messages will be hierarchical, self-defining, machine-independent data structures. This allows us to provide very simple monitoring of messages for diagnostic purposes, and allows general purpose interface programs to be written without needing to share precise byte by byte message format definitions. Programs in this system have interfaces defined simply in terms of named actions and their parameters. Real-time control programs are required to be able to handle a number of such actions concurrently; data reduction programs will normally only need to handle one action at a time ('process an image', 'display a spectrum', etc).

Shortridge, K.↗

Determination of robust stability margin for second-order systems

Robust stabilization of uncertain systems has been extensively investigated and the stability test for the whole set of uncertain parameters has been reduced to a finite number of test points, four points for the characteristic polynomial with independent coefficients. As a result the robust stability margin can be determined using a reasonable amount of computation. It is impossible to apply the results of the test to a practical system as the coefficients of the characteristic polynomial for a physical system are usually functions of uncertain parameters. However, many physical systems may be represented by a second-order mass-spring-damper system with a special multilinear form in its characteristic polynomial. This paper investigates second-order mass-spring-damper systems and the reduction of the number of test points. It is shown that such a system with arbritrary compensators always has a multilinear characteristic polynomial. It is also shown that a line in the two-dimensional parameter space forms the boundary after the mapping of a multilinear characteristic polynomial and this interior extreme line forms a conic curve in the complex plane. The boundary of uncertain domain for a multilinear polynomial with two uncertainty parameters can be determined analytically using this curve, and the four sides image of a square of the uncertain parameter. Therefore, the stability margin may be determined by checking the intersections of the boundary with the zero point. A similar procedure can be used for second-order systems with more than two uncertainty parameters when parameter optimization is used in determining the boundary.

Chuang, C.-H.↗

Probabilistic projections of the Amery Ice Shelf catchment, Antarctica, under conditions of high ice-shelf basal melt

Abstract. Antarctica's Lambert Glacier drains about one-sixth of the ice from the East Antarctic Ice Sheet and is considered stable due to the strong buttressing provided by the Amery Ice Shelf. While previous projections of the sea-level contribution from this sector of the ice sheet have predicted significant mass loss only with near-complete removal of the ice shelf, the ocean warming necessary for this was deemed unlikely. Recent climate projections through 2300 indicate that sufficient ocean warming is a distinct possibility after 2100. This work explores the impact of parametric uncertainty on projections of the response of the Lambert–Amery system (hereafter “the Amery sector”) to abrupt ocean warming through Bayesian calibration of a perturbed-parameter ice-sheet model ensemble. We address the computational cost of uncertainty quantification for ice-sheet model projections via statistical emulation, which employs surrogate models for fast and inexpensive parameter space exploration while retaining critical features of the high-fidelity simulations. To this end, we build Gaussian process (GP) emulators from simulations of the Amery sector at a medium resolution (4–20 km mesh) using the Model for Prediction Across Scales (MPAS)-Albany Land Ice (MALI) model. We consider six input parameters that control basal friction, ice stiffness, calving, and ice-shelf basal melting. From these, we generate 200 perturbed input parameter initializations using space filling Sobol sampling. For our end-to-end probabilistic modeling workflow, we first train emulators on the simulation ensemble and then calibrate the input parameters using observations of the mass balance, grounding line movement, and calving front movement with priors assigned via expert knowledge. Next, we use MALI to project a subset of simulations to 2300 using ocean and atmosphere forcings from a climate model for both low- and high-greenhouse-gas-emission scenarios. From these simulation outputs, we build multivariate emulators by combining GP regression with principal component dimension reduction to emulate multivariate sea-level contribution time series data from the MALI simulations. We then use these emulators to propagate uncertainty from model input parameters to predictions of glacier mass loss through 2300, demonstrating that the calibrated posterior distributions have both greater mass loss and reduced variance compared to the uncalibrated prior distributions. Parametric uncertainty is large enough through about 2130 that the two projections under different emission scenarios are indistinguishable from one another. However, after rapid ocean warming in the first half of the 22nd century, the projections become statistically distinct within decades. Overall, this study demonstrates an efficient Bayesian calibration and uncertainty propagation workflow for ice-sheet model projections and identifies the potential for large sea-level rise contributions from the Amery sector of the Antarctic Ice Sheet after 2100 under high-greenhouse-gas-emission scenarios.

54 ENVIRONMENTAL SCIENCES↗

Nitrogen evolution, NO X formation and reduction in pressurized oxy coal combustion

Oxy-combustion is one of the most prominent solutions for reducing CO 2 emissions from coal-fired power plants using carbon-capture-and-utilization technology. However, when compared to air combustion at atmospheric pressure, oxy-combustion is very expensive, owing to the significant efficiency penalties associated with air separation, flue gas recirculation (FGR), treatment, compression, and storage or transit of CO 2 . In comparison, pressurized oxy-combustion (POC) is more efficient as it recovers a significant amount of heat energy from the flue gas moistures. Nevertheless, CO 2 derived from pressurized oxy coal combustion has impurities, e.g., acid gases (NO X and SO X ) that can corrode the plant equipment, transport lines as well as deteriorating effect on the environment. Fortunately, in pressurized combustion systems, both NO X and SO X can be scrubbed by a single-column direct contact cooler (DCC), but this requires a minimum ratio of NO X to SO X at the inlet to be efficiently removed. Therefore, NOx is one of the important hindering parameters in commercializing the pressurized oxy-combustion. Although NOx evolution during oxy-coal combustion has been explored extensively at 1 atm, higher pressure studies are rare. Much still needs to be done to better understand the NO X mechanism and the effects of different parameters on NO X emissions under these conditions. Here, this paper reviews the published literature on nitrogen evolution, NO X formation and reduction in pressurized oxy-coal combustion. At higher pressures, the NO X from fuel-bound nitrogen is generated through volatiles, tar and char, all of which are discussed. Where literature is not available, the effect of pressure on NOx evolution in different stages of coal combustion is predicted through CHEMKIN simulation. Homogeneous and heterogeneous pathways of NO X formation and their destruction in pressurized oxy-coal combustion are evaluated. Additionally, the effect of pressure on a few mature and commercialized NOx abatement methods is explored. In the last, the future perspective and recommendation are given. This review will aid in the provision of basic knowledge about NOx evolution and control in pressurized fuel combustion, as well as the identification of new research areas to pursue.

01 COAL, LIGNITE, AND PEAT↗

NASA Engineering and Safety Center Technical Bulletin No. 22-05: Launch Vehicle Flight Control Stability Margin Reduction Considerations

Launch vehicle ascent stability analyses typically rely on a combination of frequency and time domain analyses. Frequency domain analysis uses a sequence of high-fidelity linear models with constant parameters spanning the ascent trajectory. Complementary time domain analysis is performed using high-fidelity, nonlinear 6-DOF simulations. Analyses are typically dispersed to verify robustness to parameter variations by showing the vehicle meets frequency domain stability margin requirements and time domain performance metrics. This Technical Bulletin outlines standard stability margin best practices and provides recommendations for treatment of deviations from industry-standard launch vehicle stability margins due to vehicle flexibility, slosh dynamics, aerodynamics, other offending dynamics, or coupling thereof.

Launch Vehicle↗

Strong Reduction in Amplitude of the Interfacial Segmental Dynamics in Polymer Nanocomposites

Despite the wide use of polymer nanocomposites (PNCs) in various applications, our understanding of the microscopic parameters controlling their macroscopic properties remains limited. In this study, we examine the dielectric strength of segmental dynamics, Δε IL (T) in the interfacial polymer layer surrounding the nanoparticles in PNCs. The presented analysis reveals a significant drop in Δε IL (T) and its anomalous temperature dependence in the polymer layer adsorbed to nanoparticles. The drop in Δε IL (T) was observed in all samples regardless of whether segmental relaxation time in the interfacial layer was slower or faster than in the bulk polymer, excluding interpretation of the “dead” layer. We ascribe the observed decrease in the dielectric strength to the restricted amplitude of segmental relaxation in the interfacial/adsorbed layer. Our results provide a new perspective on discussion of dynamics in the interfacial layer in PNCs and thin polymer films, demonstrating that not only segmental relaxation time but also its amplitude can be strongly affected by the interface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Microwave-Assisted Gasification of Biochar: Effect of Operational Parameters and Biochar Composition on Syngas Production

The utilization of microwave-assisted gasification for biomass/plastic is a promising route toward clean energy production, contributing to a reduction in carbon footprint. This method facilitates the conversion of biomass into syngas with enhanced hydrogen (H2) yield, surpassing conventional heating approaches. However, the gasification of biochar, a byproduct resulting from the initial rapid pyrolysis of biomass, appears as a rate-determining step in biomass gasification. To ensure high conversion efficiency, particularly in pilot or larger scales, the maintenance of high biochar reactivity is essential, which can be achieved by introducing catalysts to minimize biochar formation. Furthermore, given the susceptibility of biochar to microwave heating, gaining a comprehensive understanding of its behavior in the presence of microwave-active catalysts under microwave conditions is crucial to obtain valuable insights into the underlying mechanisms, thereby improving overall biomass gasification efficiency. In the previous study, magnetite (Fe3O4) was selected for microwave-assisted gasification for biomass/plastic due to its dual role as a catalyst and microwave absorber and demonstrated considerably enhanced hydrogen production. Herein, Fe3O4 is rationally modified with metal promoters and their synergistic effect toward biochar gasification performance is investigated. The data shows that metal promoted Fe3O4 shows a higher syngas yield than that of pristine Fe3O4 in biochar.

Mai, Duy Hien↗

Optical spectroscopy of molten fluorides: Methods, electronic and vibrational data, structural interpretation, and relevance to radiative heat transfer

In this study, to help address the need for predicting radiative heat transfer (RHT) behavior of molten salts, we conducted a comprehensive review of methods and data from optical spectroscopic measurements on molten fluoride salts. Transmittance, reflectance, and trans-reflectance experimental methods are discussed, along with the corresponding data reduction methodology and the limitations of each technique. Optical spectroscopy is a convenient indirect probe for changes in structural parameters with temperature and composition. Electronic and vibrational absorption data for transition-metal, lanthanide, and actinide solutes and vibrational absorption data for alkali and alkaline earth fluoride solvents are compiled, and the corresponding structural interpretation is discussed and compared with other experimental and theoretical work. We find that solvent and solute vibrational absorption can be significant in the mid-infrared, resulting in near-infrared edges of significance to RHT. Extrapolation and averaging of existing edge data leads to estimated gray absorption coefficient values at 700 °C of 546 m —1 for FLiBe and 276 m —1 for FLiNaK, both within the range of 1 – 6000 m —1 identified to be of engineering relevance for radiative heat transfer analysis.

36 MATERIALS SCIENCE↗