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At least 1,405 records · Page 78

Development and application of unified algorithms for problems in computational science

A framework is presented for developing computationally unified numerical algorithms for solving nonlinear equations that arise in modeling various problems in mathematical physics. The concept of computational unification is an attempt to encompass efficient solution procedures for computing various nonlinear phenomena that may occur in a given problem. For example, in Computational Fluid Dynamics (CFD), a unified algorithm will be one that allows for solutions to subsonic (elliptic), transonic (mixed elliptic-hyperbolic), and supersonic (hyperbolic) flows for both steady and unsteady problems. The objectives are: development of superior unified algorithms emphasizing accuracy and efficiency aspects; development of codes based on selected algorithms leading to validation; application of mature codes to realistic problems; and extension/application of CFD-based algorithms to problems in other areas of mathematical physics. The ultimate objective is to achieve integration of multidisciplinary technologies to enhance synergism in the design process through computational simulation. Specific unified algorithms for a hierarchy of gas dynamics equations and their applications to two other areas: electromagnetic scattering, and laser-materials interaction accounting for melting.

Shankar, Vijaya↗

Robust stability of second-order systems

This progress report gives current progress of the research in nonlinear robust control using positive real concept. The progress is documented in a draft paper. In the paper, the manipulator dynamics is reformulated differently from the existing equations of motion for free base robots. This new formulation gives a compact form of the dynamic equations for easy computation. The nonlinear terms are now considered. The results show that for an additional nonlinear friction term, the feedback controller designed using passivity concept works quite well. Although design of such a controller requires simulation of the dynamics for the example shown in the following draft, this design procedure is feasible.

Chuang, C.-H.↗

Temporal Characterization of Aircraft Noise Sources

Current aircraft source noise prediction tools yield time-independent frequency spectra as functions of directivity angle. Realistic evaluation and human assessment of aircraft fly-over noise require the temporal characteristics of the noise signature. The purpose of the current study is to analyze empirical data from broadband jet and tonal fan noise sources and to provide the temporal information required for prediction-based synthesis. Noise sources included a one-tenth-scale engine exhaust nozzle and a one-fifth scale scale turbofan engine. A methodology was developed to characterize the low frequency fluctuations employing the Short Time Fourier Transform in a MATLAB computing environment. It was shown that a trade-off is necessary between frequency and time resolution in the acoustic spectrogram. The procedure requires careful evaluation and selection of the data analysis parameters, including the data sampling frequency, Fourier Transform window size, associated time period and frequency resolution, and time period window overlap. Low frequency fluctuations were applied to the synthesis of broadband noise with the resulting records sounding virtually indistinguishable from the measured data in initial subjective evaluations. Amplitude fluctuations of blade passage frequency (BPF) harmonics were successfully characterized for conditions equivalent to take-off and approach. Data demonstrated that the fifth harmonic of the BPF varied more in frequency than the BPF itself and exhibited larger amplitude fluctuations over the duration of the time record. Frequency fluctuations were found to be not perceptible in the current characterization of tonal components.

Grosveld, Ferdinand W.↗

Ares I-X In-Flight Modal Identification

Operational modal analysis is a procedure that allows the extraction of modal parameters of a structure in its operating environment. It is based on the idealized premise that input to the structure is white noise. In some cases, when free decay responses are corrupted by unmeasured random disturbances, the response data can be processed into cross-correlation functions that approximate free decay responses. Modal parameters can be computed from these functions by time domain identification methods such as the Eigenvalue Realization Algorithm (ERA). The extracted modal parameters have the same characteristics as impulse response functions of the original system. Operational modal analysis is performed on Ares I-X in-flight data. Since the dynamic system is not stationary due to propellant mass loss, modal identification is only possible by analyzing the system as a series of linearized models over short periods of time via a sliding time-window of short time intervals. A time-domain zooming technique was also employed to enhance the modal parameter extraction. Results of this study demonstrate that free-decay time domain modal identification methods can be successfully employed for in-flight launch vehicle modal extraction.

Bartkowicz, Theodore J.↗

Flight Demonstration of the Tailored Arrival Manager

A flight demonstration of arrival traffic management automation was conducted in partnership between NASA, FAA and Boeing as an element of the latter’s ecoDemonstrator2020 flight program. For the demonstration, NASA’s prototype Tailored Arrival Manager(TAM) was used to compute efficient trajectory-based solutions to traffic management problems representing those encountered during time-based metering operations today. TAM solutions involving route modifications were uplinked to a Boeing 787 airplane using Controller Pilot Data Link Communications and seamlessly loaded into the airplane’s Flight Management System (FMS). The paper describes the concept and technology behind TAM along with the data exchanges and procedures involved with the demonstration. All TAM solutions were delivered in a timely manner and successfully integrated with the airplane’s FMS, thereby demonstrating the basic feasibility of trajectory-based arrival management using currently available data communications and avionics equipage. Although TAM solutions were not executed during this initial demonstration, a limited study of trajectory prediction accuracy was possible given that the airplane flew uninterrupted, automated descents with known route and speed intent. Analysis revealed that TAM meter-fix arrival time predictions were accurate to within ± 30 seconds for time horizons of 30 minutes or less, which matched closely with FMS predictions acquired through real-time data exchange. Top-of-descent predictions over similar time horizons were found accurate to within ± 5 nautical miles.

air traffic management↗

Flight Demonstration of the Tailored Arrival Manager

A flight demonstration of arrival traffic management automation was conducted in partnership between NASA, FAA and Boeing as an element of the latter’s ecoDemonstrator2020 flight program. For the demonstration, NASA’s prototype Tailored Arrival Manager(TAM) was used to compute efficient trajectory-based solutions to traffic management problems representing those encountered during time-based metering operations today. TAM solutions involving route modifications were uplinked to a Boeing 787 airplane using Controller Pilot Data Link Communications and seamlessly loaded into the airplane’s Flight Management System (FMS). The paper describes the concept and technology behind TAM along with the data exchanges and procedures involved with the demonstration. All TAM solutions were delivered in a timely manner and successfully integrated with the airplane’s FMS, thereby demonstrating the basic feasibility of trajectory-based arrival management using currently available data communications and avionics equipage. Although TAM solutions were not executed during this initial demonstration, a limited study of trajectory prediction accuracy was possible given that the airplane flew uninterrupted, automated descents with known route and speed intent. Analysis revealed that TAM meter-fix arrival time predictions were accurate to within ± 30 seconds for time horizons of 30 minutes or less, which matched closely with FMS predictions acquired through real-time data exchange. Top-of-descent predictions over similar time horizons were found accurate to within ± 5 nautical miles.

Air traffic managment↗

Multiscale Progressive Failure Analysis of 3D Woven Composites

Application of three-dimensional (3D) woven composites is growing as an alternative to the use of ply-based composite materials. However, the design, analysis, modeling, and optimization of these materials is more challenging due to their complex and inherently multiscale geometries. Herein, a multiscale modeling procedure, based on efficient, semi-analytical micromechanical theories rather than the traditional finite element approach, is presented and applied to a 3D woven carbon–epoxy composite. A crack-band progressive damage model was employed for the matrix constituent to capture the globally observed nonlinear response. Realistic microstructural dimensions and tow-fiber volume fractions were determined from detailed X-ray computed tomography (CT) and scanning electron microscopy data. Pre-existing binder-tow disbonds and weft-tow waviness, observed in X-ray CT scans of the composite, were also included in the model. The results were compared with experimental data for the in-plane tensile and shear behavior of the composite. The tensile predictions exhibited good correlations with the test data. While the model was able to capture the less brittle nature of the in-plane shear response, quantitative measures were underpredicted to some degree.

3D woven composites↗

Automated Work Package: Initial Wireless Communication Platform Design, Development, and Evaluation

The Department of Energy’s Light Water Reactor Sustainability Program is developing the scientific basis to ensure long-term reliability, productivity, safety, and security of the nuclear power industry in the United States. The Instrumentation, Information, and Control (II&C) pathway of the program aims to increase the role of advanced II&C technologies to achieve this objective. One of the pathway efforts at Idaho National Laboratory (INL) is to improve the work packages execution process by replacing the expensive, inefficient, bulky, complex, and error-prone paper-based work orders with automated work packages (AWPs). An AWP is an automated and dynamic presentation of the work package designed to guide the user through the work process. It is loaded on a mobile device, such as a tablet, and is capable of communicating with plant equipment and systems to acquire plant and procedure states. The AWP replaces those functions where a computer is more efficient and reliable than a human. To enable the automatic acquisition of plant data, it is necessary to design and develop a prototype platform for data exchange between the field instruments and the AWP mobile devices. The development of the platform aims to reveal issues and solutions generalizable to large-scale implementation of a similar system. Topics such as bandwidth, robustness, response time, interference, and security are usually associated with wireless communication. These concerns, along with other requirements, are listed in an earlier INL report. Specifically, the targeted issues and performance aspects in this work are relevant to the communication infrastructure from the perspective of promptness, robustness, expandability, and interoperability with different technologies.

Automated Work Packages↗

Automated Work Package: Initial Wireless Communication Platform Design, Development, and Evaluation

The Department of Energy's Light Water Reactor Sustainability Program is developing the scientific basis to ensure long-term reliability, productivity, safety, and security of the nuclear power industry in the United States. The Instrumentation, Information, and Control (II and C) pathway of the program aims to increase the role of advanced II and C technologies to achieve this objective. One of the pathway efforts at Idaho National Laboratory (INL) is to improve the work packages execution process by replacing the expensive, inefficient, bulky, complex, and error-prone paper-based work orders with automated work packages (AWPs). An AWP is an automated and dynamic presentation of the work package designed to guide the user through the work process. It is loaded on a mobile device, such as a tablet, and is capable of communicating with plant equipment and systems to acquire plant and procedure states. The AWP replaces those functions where a computer is more efficient and reliable than a human. To enable the automatic acquisition of plant data, it is necessary to design and develop a prototype platform for data exchange between the field instruments and the AWP mobile devices. The development of the platform aims to reveal issues and solutions generalizable to large-scale implementation of a similar system. Topics such as bandwidth, robustness, response time, interference, and security are usually associated with wireless communication. These concerns, along with other requirements, are listed in an earlier INL report. Specifically, the targeted issues and performance aspects in this work are relevant to the communication infrastructure from the perspective of promptness, robustness, expandability, and interoperability with different technologies. The development of a prompt system entailed significant performance optimization, including the use of parallel processing, parallel communication, modularity, noise filtering, and frequency tuning. A robust system was achieved by enforcing a persistent continuous data exchange that automatically detects and conveys a failure of any link or component in any part of the system, and that automatically restores the communication once the link or component is restored. An expandable topology was enabled by modularity and load sharing. The number of servers, mobile devices, and field instruments is not limited from a system structure point of view. The system interoperability was achieved by enforcing the independence of the field communication application from the mobile device application. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Computer Model Calibration with Time Series Data Using Deep Learning and Quantile Regression

Computer models play a key role in many scientific and engineering problems. One major source of uncertainty in computer model experiments is input parameter uncertainty. Computer model calibration is a formal statistical procedure to infer input parameters by combining information from model runs and observational data. The existing standard calibration framework suffers from inferential issues when the model output and observational data are high-dimensional dependent data, such as large time series, due to the difficulty in building an emulator and the nonidentifiability between effects from input parameters and data-model discrepancy. To overcome these challenges, we, in this work, propose a new calibration framework based on a deep neural network (DNN) with long short-term memory layers that directly emulates the inverse relationship between the model output and input parameters. Adopting the “learning with noise” idea, we train our DNN model to filter out the effects from data-model discrepancy on input parameter inference. We also formulate a new way to construct interval predictions for DNN using quantile regression to quantify the uncertainty in input parameter estimates. Through a simulation study and real data application with the Weather Research and Forecasting Model Hydrological modeling system (WRF-Hydro), we show our approach can yield accurate point estimates and well-calibrated interval estimates for input parameters.

97 MATHEMATICS AND COMPUTING↗

Diabatic-At-Construction Method for Diabatic and Adiabatic Ground and Excited States Based on Multistate Density Functional Theory

Here, we describe a diabatic-at-construction (DAC) strategy for defining diabatic states to determine the adiabatic ground and excited electronic states and their potential energy surfaces using the multistate density functional theory (MSDFT). The DAC approach differs in two fundamental ways from the adiabatic-to-diabatic (ATD) procedures that transform a set of preselected adiabatic electronic states to a new representation. (1) The DAC states are defined in the first computation step to form an active space, whose configuration interaction produces the adiabatic ground and excited states in the second step of MSDFT. Thus, they do not result from a similarity transformation of the adiabatic states as in the ATD procedure; they are the basis for producing the adiabatic states. The appropriateness and completeness of the DAC active space can be validated by comparison with experimental observables of the ground and excited states. (2) The DAC diabatic states are defined using the valence bond characters of the asymptotic dissociation limits of the adiabatic states of interest, and they are strictly maintained at all molecular geometries. Consequently, DAC diabatic states have specific and well-defined physical and chemical meanings that can be used for understanding the nature of the adiabatic states and their energetic components. Here we present results for the four lowest singlet states of LiH and compare them to a well-tested ATD diabatization method, namely the 3-fold way; the comparison reveals both similarities and differences between the ATD diabatic states and the orthogonalized DAC diabatic states. Furthermore, MSDFT can provide a quantitative description of the ground and excited states for LiH with multiple strongly and weakly avoided curve crossings spanning over 10 Å of interatomic separation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Wind tunnel seeding particles for laser velocimeter

The design of an optimal air foil has been a major challenge for aerospace industries. The main objective is to reduce the drag force while increasing the lift force in various environmental air conditions. Experimental verification of theoretical and computational results is a crucial part of the analysis because of errors buried in the solutions, due to the assumptions made in theoretical work. Experimental studies are an integral part of a good design procedure; however, empirical data are not always error free due to environmental obstacles or poor execution, etc. The reduction of errors in empirical data is a major challenge in wind tunnel testing. One of the recent advances of particular interest is the use of a non-intrusive measurement technique known as laser velocimetry (LV) which allows for obtaining quantitative flow data without introducing flow disturbing probes. The laser velocimeter technique is based on measurement of scattered light by the particles present in the flow but not the velocity of the flow. Therefore, for an accurate flow velocity measurement with laser velocimeters, two criterion are investigated: (1) how well the particles track the local flow field, and (2) the requirement of light scattering efficiency to obtain signals with the LV. In order to demonstrate the concept of predicting the flow velocity by velocity measurement of particle seeding, the theoretical velocity of the gas flow is computed and compared with experimentally obtained velocity of particle seeding.

Ghorieshi, Anthony↗

Two-Step Estimation in a Heteroscedastic Linear Regression Model

We study the problem of estimating a parameter in some heteroscedastic linear regression model in the case where the regressors consist of all order statistics based on the sample of identically distributed not necessarily independent observations with finite second moment. It is assumed that the random errors depend on the parameter and distributions of the corresponding regressors. We propose a two-step procedure for finding explicit asymptotically normal estimators.

97 MATHEMATICS AND COMPUTING↗

Sequential Designs Based on Bayesian Uncertainty Quantification in Sparse Representation Surrogate Modeling

A numerical method, called OBSM, was recently proposed which employs overcomplete basis functions to achieve sparse representations. While the method can handle non-stationary response without the need of inverting large covariance matrices, it lacks the capability to quantify uncertainty in predictions. We address this issue by proposing a Bayesian approach which first imposes a normal prior on the large space of linear coefficients, then applies the MCMC algorithm to generate posterior samples for predictions. From these samples, Bayesian credible intervals can then be obtained to assess prediction uncertainty. A key application for the proposed method is the efficient construction of sequential designs. Several sequential design procedures with different infill criteria are proposed based on the generated posterior samples. As a result, numerical studies show that the proposed schemes are capable of solving problems of positive point identification, optimization, and surrogate fitting.

97 MATHEMATICS AND COMPUTING↗

Symmetric Blind Information Reconciliation for Quantum Key Distribution

Quantum key distribution (QKD) is a quantum-proof key-exchange scheme which is fast approaching the communication industry. An essential component in QKD is the information reconciliation step, which is used for correcting the quantum-channel noise errors. The recently suggested blind-reconciliation technique, based on low-density parity-check codes, offers remarkable prospectives for efficient information reconciliation without an a priori quantum bit error rate estimation. We suggest an improvement of the blind-information-reconciliation protocol promoting a significant increase in the efficiency of the procedure and reducing its interactivity. Finally, the proposed technique is based on introducing symmetry in operations of parties, and the consideration of results of unsuccessful belief-propagation decodings.

97 MATHEMATICS AND COMPUTING↗

Creation of a Robust and Generalizable Machine Learning Classifier for Patient Ventilator Asynchrony

Background: As healthcare increasingly digitizes, streaming waveform data is being made available from an variety of sources, but there still remains a paucity of performant clinical decision support systems. For example, in the intensive care unit (ICU) existing automated alarm systems typically rely on simple thresholding that result in frequent false positives. Recurrent false positive alerts create distrust of alarm mechanisms that can be directly detrimental to patient health. To improve patient care in the ICU, we need alert systems that are both pervasive, and accurate so as to be informative and trusted by providers. Objective: We aimed to develop a machine learning-based classifier to detect abnormal waveform events using the use case of mechanical ventilation waveform analysis, and the detection of harmful forms of ventilation delivery to patients. We specifically focused on detecting injurious subtypes of patient-ventilator asynchrony (PVA).Methods: Using a dataset of breaths recorded from 35 different patients, we used machine learning to create computational models to automatically detect, and classify two types of injurious PVA, double trigger asynchrony (DTA), breath stacking asynchrony (BSA). We examined the use of synthetic minority over-sampling technique (SMOTE) to overcome class imbalance problems, varied methods for feature selection, and use of ensemble methods to optimize the performance of our model. Results: We created an ensemble classifier that is able to accurately detect DTA at a sensitivity/specificity of 0.960/0.975, BSA at sensitivity/specificity of 0.944/0.987, and non-PVA events at sensitivity/specificity of .967/.980. Conclusions: Our results suggest that it is possible to create a high-performing machine learning-based model for detecting PVA in mechanical ventilator waveform data in spite of both intra-patient, and inter-patient variability in waveform patterns, and the presence of clinical artifacts like cough and suction procedures. Our work highlights the importance of addressing class imbalance in clinical data sets, and the combined use of statistical methods and expert knowledge in feature selection.

97 MATHEMATICS AND COMPUTING↗

User's manual for airfoil flow field computer code SRAIR

A two dimensional unsteady Navier-Stokes calculation procedure with specific application to the isolated airfoil problem is presented. The procedure solves the full, ensemble averaged Navier-Stokes equations with turbulence represented by a mixing length model. The equations are solved in a general nonorthogonal coordinate system which is obtained via an external source. Specific Cartesian locations of grid points are required as input for this code. The method of solution is based upon the Briley-McDonald LBI procedure. The manual discusses the analysis, flow of the program, control steam, input and output.

Shamroth, S. J.↗

A Three Dimensional Parallel Time Accurate Turbopump Simulation Procedure Using Overset Grid Systems

The objective of the current effort is to provide a computational framework for design and analysis of the entire fuel supply system of a liquid rocket engine, including high-fidelity unsteady turbopump flow analysis. This capability is needed to support the design of pump sub-systems for advanced space transportation vehicles that are likely to involve liquid propulsion systems. To date, computational tools for design/analysis of turbopump flows are based on relatively lower fidelity methods. An unsteady, three-dimensional viscous flow analysis tool involving stationary and rotational components for the entire turbopump assembly has not been available for real-world engineering applications. The present effort provides developers with information such as transient flow phenomena at start up, and non-uniform inflows, and will eventually impact on system vibration and structures. In the proposed paper, the progress toward the capability of complete simulation of the turbo-pump for a liquid rocket engine is reported. The Space Shuttle Main Engine (SSME) turbo-pump is used as a test case for evaluation of the hybrid MPI/Open-MP and MLP versions of the INS3D code. CAD to solution auto-scripting capability is being developed for turbopump applications. The relative motion of the grid systems for the rotor-stator interaction was obtained using overset grid techniques. Unsteady computations for the SSME turbo-pump, which contains 114 zones with 34.5 million grid points, are carried out on Origin 3000 systems at NASA Ames Research Center. Results from these time-accurate simulations with moving boundary capability will be presented along with the performance of parallel versions of the code.

Kiris, Cetin↗