Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Theory Manual”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 343 records · Page 19

Tuning Neural Network Models for Improved Prediction of Boundary Layer Transition

Boundary layer transition can strongly impact flight vehicle performance as it influences surface skin friction and aerodynamic heating, making accurate transition prediction a key to designing next generation aircraft. Artificial neural networks (ANNs) have shown promise toward predicting laminar-turbulent transition based on linear stability correlations. The computational efficiency of ANNs and the substantially reduced user involvement in relation to direct computations based on the linear stability theory (LST) makes them an attractive methodology for integrating the LST based correlations in computational fluid dynamics codes. Tollmien-Schlichting (TS) waves correspond to the dominant transition mechanism in 2D or weakly 3D subsonic boundary layers, such as those encountered in general aviation applications. Improvements to neural network model accuracy in predicting the amplification rates of TS instability waves have been investigated by leveraging recent machine learning developments in conjunction with surrogate optimization techniques and via suitable augmentation of the data used to train the networks. The optimized models trained on the modified dataset reduced the average transition location errors on different airfoils at several flow conditions by 51% of the original manually-tuned network’s errors on the same flow cases. The actual transition locations were derived from the Langley Stability and Transition Analysis Code (LASTRAC).

Machine Learning↗

User’s Manual for Seal_Flux: A Seal Barrier Reduced-Order Model (Update)

This report provides a brief description on the use of the Seal_Flux computer program developed as part of the effort to quantify the risk of geologic storage of carbon dioxide (CO 2 ) under the U.S. Department of Energy’s (DOE) National Risk Assessment Partnership (NRAP). The Seal_Flux code simulates the flow of CO 2 through a low permeability rock horizon or seal formation overlying the storage reservoir into which CO 2 is injected. A two-phase, relative permeability approach with Darcy’s law is used for one-dimensional (1D) flow computations of CO 2 through the horizon in the vertical direction. The code also allows the simulation of time-dependent processes that can influence such flow. However, as part of its design, Seal_Flux is what can be termed a “reduced-order model” (ROM) and is not intended as a full-functioning flow code. The theory and simulation in the code is streamlined and directed towards the implementation of Monte Carlo risk analyses of CO 2 transport or as termed in this context as “leakage.” While presented in this report as a stand-alone tool, the Seal_Flux code is intended to function in the future as one of several models as part of an integrated, systems-level model of CO 2 storage performance. Finally, the code is written in Python 3.10 to provide an open framework for further development by others and to assist in linking the code with other modules in an integrated assessment model.

58 GEOSCIENCES↗

A general multiblock Euler code for propulsion integration. Volume 1: Theory document

A general multiblock Euler solver was developed for the analysis of flow fields over geometrically complex configurations either in free air or in a wind tunnel. In this approach, the external space around a complex configuration was divided into a number of topologically simple blocks, so that surface-fitted grids and an efficient flow solution algorithm could be easily applied in each block. The computational grid in each block is generated using a combination of algebraic and elliptic methods. A grid generation/flow solver interface program was developed to facilitate the establishment of block-to-block relations and the boundary conditions for each block. The flow solver utilizes a finite volume formulation and an explicit time stepping scheme to solve the Euler equations. A multiblock version of the multigrid method was developed to accelerate the convergence of the calculations. The generality of the method was demonstrated through the analysis of two complex configurations at various flow conditions. Results were compared to available test data. Two accompanying volumes, user manuals for the preparation of multi-block grids (vol. 2) and for the Euler flow solver (vol. 3), provide information on input data format and program execution.

Chen, H. C.↗

A prescribed wake rotor inflow and flow field prediction analysis, user's manual and technical approach

A user's manual is provided which includes the technical approach for the Prescribed Wake Rotor Inflow and Flow Field Prediction Analysis. The analysis is used to provide the rotor wake induced velocities at the rotor blades for use in blade airloads and response analyses and to provide induced velocities at arbitrary field points such as at a tail surface. This analysis calculates the distribution of rotor wake induced velocities based on a prescribed wake model. Section operating conditions are prescribed from blade motion and controls determined by a separate blade response analysis. The analysis represents each blade by a segmented lifting line, and the rotor wake by discrete segmented trailing vortex filaments. Blade loading and circulation distributions are calculated based on blade element strip theory including the local induced velocity predicted by the numerical integration of the Biot-Savart Law applied to the vortex wake model.

Egolf, T. A.↗

Introducing Tropical Geometric Approaches to Delay Tolerant Networking Optimization

Delay Tolerant Networking (DTN) is the standard approach to the networking of space systems with the goal of supporting the Solar System Internet (SSI). Current space networks have a small scale and often depend on rigorously scheduled (pre-determined) contact opportunities; this manual approach inhibits scalability. The goal of this paper is to recast these scheduling problems in order to apply the optimization machinery of tropical geometry. Contact opportunities in space are dependent on such factors as orbital mechanics and asset availability, which induce time-varying connectivity; indeed, end-to-end connectivity might never occur. Routing optimization within this structure is classically difficult and typically utilizes Dijkstra's algorithm as applied to contact graphs. Alternatively, we follow the successes of tropical geometry in train schedule optimization, job assignments, and even traditional networking, by extending this approach to this more general (i.e. disconnected) problem space. These successes imply tropical geometry provides a useful framework in the context of DTNs, starting with applications to queuing theory and long-haul links. Recently, tropical geometry has been applied to parametric path optimization on graphs with variable edge weights. In this work, we extend these advances to account for the problem of routing in a space network, and find that tropical geometry is well-suited to the challenges offered by this new setting, including contact schedules featuring probabilities. Our approach leverages the combinatorial nature of the problem to give feasible shortest path trees in the presence of variable channel conditions and latency, evolving topologies, and uncertainty inherent in space routing. We discuss our tropical approach to DTN for two Python implementations, a Verilog Tropical ALU implementation, tropical frameworks for other parametric graph problems, and solution stability. Lastly, a program for future work is included to illuminate the path ahead.

Delay Tolerant Networking↗

Cloud cover determination in polar regions from satellite imagery

The objectives are to develop a suitable validation data set for evaluating the effectiveness of the International Satellite Cloud Climatology Project (ISCCP) algorithm for cloud retrieval in polar regions, to identify limitations of current procedures and to explore potential means to remedy them using textural classifiers, and to compare synoptic cloud data from model runs with observations. Toward the first goal, a polar data set consisting of visible, thermal, and passive microwave data was developed. The AVHRR and SMMR data were digitally merged to a polar stereographic projection with an effective pixel size of 5 sq km. With this data set, two unconventional methods of classifying the imagery for the analysis of polar clouds and surfaces were examined: one based on fuzzy sets theory and another based on a trained neural network. An algorithm for cloud detection was developed from an early test version of the ISCCP algorithm. This algorithm includes the identification of surface types with passive microwave, then temporal tests at each pixel location in the cloud detection phase. Cloud maps and clear sky radiance composites for 5 day periods are produced. Algorithm testing and validation was done with both actural AVHRR/SMMR data, and simulated imagery. From this point in the algorithm, groups of cloud pixels are examined for their spectral and textural characteristics, and a procedure is developed for the analysis of cloud patterns utilizing albedo, IR temperature, and texture. In a completion of earlier work, empirical analyses of arctic cloud cover were explored through manual interpretations of DMSP imagery and compared to U.S. Air Force 3D-nephanalysis. Comparisons of observed cloudiness from existing climatologies to patterns computed by the GISS climate model were also made.

Barry, R. G.↗

The Conference Proceedings of the 2003 Air Transport Research Society (ATRS) World Conference, Volume 5

The UNO Aviation Institute Monograph Series began in 1994 as a key component of the education outreach and information transfer missions of the Aviation Institute and the NASA Nebraska Space Grant & EPSCoR Programs. The series is an outlet for aviation materials to be indexed and disseminated through an efficient medium. Publications are welcome in all aspects of aviation. Publication formats may include, but are not limited to, conference proceedings, bibliographies, research reports, manuals, technical reports, and other documents that should be archived and indexed for future reference by the aviation and world wide communities. The Conference proceedings of the 2003 Air Transport Research Society (ATRS) world conference, volume 5 is presented. The topics include: 1) The Temporal Configuration of Airline Networks in Europe; 2) Determination and Applications of Environmental Costs at Different Sized Airports-Aircraft Noise and Engine Emissions; 3) Cost Effective Measures to Reduce CO2 Emissions in the Air Freight Sector; 4) An Assessment of the Sustainability of Air Transport System: Quantification of Indicators; 5) Regulation, Competition and Network Evolution in Aviation; 6) Regulation in the Air: Price and Frequency Cap; 7) Industry Consolidation and Future Airline Network Structures in Europe; 8) Application of Core Theory to the U.S. Airline Industry; 9) Air Freight Transshipment Route Choice Analysis; 10) A Fuzzy Approach of the Competition on Air Transport Market; and 11) Developing Passenger Demand Models for International Aviation from/to Egypt: A Case Study of Cairo Airport and Egyptair.

Bowen, Brent↗

Modeling Oxidative Dehydrogenation of Propane with Supported Vanadia Catalysts Using Multireference Methods

The oxidative dehydrogenation of propane over supported vanadium oxide catalysts poses significant computational challenges due to complex electronic structure changes along the reaction coordinate, driven primarily by changes in the oxidation states of vanadium. To address these challenges, we systematically test quantum chemical methods, including multireference (MR) approaches, domain-based local pair natural orbital coupled cluster theory (DLPNO-CCSD(T)), and density functional theory (DFT). The initial C–H bond-breaking transition state requires MR treatment due to its multireference character, while subsequent steps permit efficient single-reference calculations. For the rate-limiting C–H activation step mediated by the vanadyl moiety, complete 1 active space second-order perturbation theory (CASPT2) yields an apparent activation barrier (E app 600K ) of 138 kJ/mol, consistent with experimental values (134 ± 4 kJ/mol; Gruene et al. Catal. Today 2010, 157, 137). In contrast, DLPNO-CCSD(T) overestimates this barrier (198 kJ/mol), whereas DFT predictions span 125–150 kJ/mol, depending on the functional. Our multireference investigation of this transition metal oxide-catalyzed process demonstrates that an active space that incorporates the C–H σ and V=O σ/π bonding orbitals, oxygen lone pairs, and their antibonding counterparts adequately captures electronic structure changes along the chemical transformation. Furthermore, these findings provide a general strategy for active space selection in transition metal oxide-catalyzed C/O–H bond activation reactions. The reference dataset from this work, which includes MR calculations with manually selected active spaces for all intermediates and transition states in the propane ODH reaction network, will serve as a benchmark for automating active space selection in similar systems.

Catalysts↗

Case Study of Using Flocad to Model a Ground Test Station Ln2 Heat Exchanger

This paper presents a case study of using FLOCAD to model the heat transfer and boiling flow behavior of a Liquid Nitrogen (LN2) ground station equipment heat exchanger. The unique aspect of this work is that is one of very few studies documenting the use of FLOCAD in the spacecraft thermal control community. The results of the simulations described herein were used to guide and plan the execution of thermal vacuum testing spacecraft hardware using a ground test heat exchanger such as the one modeled herein. The paper will review the theory of two-phase boiling flow and correlations used by SINDA/FLUINT as well as the terminology and nomenclature used within Thermal Desktop / FLOCAD regarding two-phase boiling flow heat transfer modeling and simulation. Results for using the ground station heat exchanger as a heat sink in a thermal vacuum test set up are shown in order to demonstrate the set-up and execution of a typical FLOCAD model. Results indicate that properly modeling of the two-phase behavior is critical in order to ascertain the time constant associated with the heat exchanger, as well as understanding the temperature distribution across the test equipment and prediction of required LN2 flowrates to be used during testing. The paper is meant to augment the FLOCAD user’s manual and serve as a tutorial for thermal engineers and analysts wishing to learn and apply FLOCAD to industrial problems.

Anderson, Kevin R.↗

Quick-and-Easy Validation of Protein–Ligand Binding Models Using Fragment-Based Semiempirical Quantum Chemistry

Electronic structure calculations in enzymes converge very slowly with respect to the size of the model region that is described using quantum mechanics (QM), requiring hundreds of atoms to obtain converged results and exhibiting substantial sensitivity (at least in smaller models) to which amino acids are included in the QM region. As such, there is considerable interest in developing automated procedures to construct a QM model region based on well-defined criteria. However, testing such procedures is burdensome due to the cost of large-scale electronic structure calculations. Here, we show that semiempirical methods can be used as alternatives to density functional theory (DFT) to assess convergence in sequences of models generated by various automated protocols. The cost of these convergence tests is reduced even further by means of a many-body expansion. We use this approach to examine convergence (with respect to model size) of protein–ligand binding energies. Fragment-based semiempirical calculations afford well-converged interaction energies in a tiny fraction of the cost required for DFT calculations. Two-body interactions between the ligand and single-residue amino acid fragments afford a low-cost way to construct a “QM-informed” enzyme model of reduced size, furnishing an automatable active-site model-building procedure. This provides a streamlined, user-friendly approach for constructing ligand binding-site models that needs neither a priori information nor manual adjustments. Extension to model-building for thermochemical calculations should be straightforward.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Perovskite- and Dye-Sensitized Solar-Cell Device Databases Auto-generated Using ChemDataExtractor

The number of scientific publications reporting cutting-edge third-generation photovoltaic devices is increasing rapidly, owing to the pressing need to develop renewable-energy technologies that address the climate-change crisis. Consequently, the field could benefit from a central repository where photovoltaic-performance metrics, such as the power-conversion efficiency (η) are recorded. We present two automatically generated databases that contain photovoltaic properties and device material data for dye-sensitized solar cells (DSCs) and perovskite solar cells (PSCs), totalling 660,881 data entries representing 57,678 photovoltaic devices. The databases were generated by applying the text-mining toolkit ChemDataExtractor on a corpus of 25,720 articles. A multi-faceted evaluation, incorporating manual and automatic methods, was applied to ensure that the data contained therein were of the highest quality, with precision metrics ranging from 73.1% to 95.8%. The DSC database contains 475,045 entries representing 41,680 devices, and the PSC database contains 185,836 entries representing 15,818 devices. The databases are available in MongoDB and JSON formats, which can be queried in Python, R, Java and MATLAB for data-driven photovoltaic materials discovery.

14 SOLAR ENERGY↗

A Compilation of MATLAB Scripts and Functions for MACGMC Analyses

The primary aim of the current effort is to provide scripts that automate many of the repetitive pre- and post-processing tasks associated with composite materials analyses using the Micromechanics Analysis Code with the Generalized Method of Cells. This document consists of a compilation of hundreds of scripts that were developed in MATLAB (The Mathworks, Inc., Natick, MA) programming language and consolidated into 16 MATLAB functions. (MACGMC). MACGMC is a composite material and laminate analysis software code developed at NASA Glenn Research Center. The software package has been built around the generalized method of cells (GMC) family of micromechanics theories. The computer code is developed with a user-friendly framework, along with a library of local inelastic, damage, and failure models. Further, application of simulated thermo-mechanical loading, generation of output results, and selection of architectures to represent the composite material have been automated to increase the user friendliness, as well as to make it more robust in terms of input preparation and code execution. Finally, classical lamination theory has been implemented within the software, wherein GMC is used to model the composite material response of each ply. Thus, the full range of GMC composite material capabilities is available for analysis of arbitrary laminate configurations as well. The pre-processing tasks include generation of a multitude of different repeating unit cells (RUCs) for CMCs and PMCs, visualization of RUCs from MACGMC input and output files and generation of the RUC section of a MACGMC input file. The post-processing tasks include visualization of the predicted composite response, such as local stress and strain contours, damage initiation and progression, stress-strain behavior, and fatigue response. In addition to the above, several miscellaneous scripts have been developed that can be used to perform repeated Monte-Carlo simulations to enable probabilistic simulations with minimal manual intervention. This document is formatted to provide MATLAB source files and descriptions of how to utilize them. It is assumed that the user has a basic understanding of how MATLAB scripts work and some MATLAB programming experience.

Materials Engineering↗

CARES/LIFE Ceramics Analysis and Reliability Evaluation of Structures Life Prediction Program

This manual describes the Ceramics Analysis and Reliability Evaluation of Structures Life Prediction (CARES/LIFE) computer program. The program calculates the time-dependent reliability of monolithic ceramic components subjected to thermomechanical and/or proof test loading. CARES/LIFE is an extension of the CARES (Ceramic Analysis and Reliability Evaluation of Structures) computer program. The program uses results from MSC/NASTRAN, ABAQUS, and ANSYS finite element analysis programs to evaluate component reliability due to inherent surface and/or volume type flaws. CARES/LIFE accounts for the phenomenon of subcritical crack growth (SCG) by utilizing the power law, Paris law, or Walker law. The two-parameter Weibull cumulative distribution function is used to characterize the variation in component strength. The effects of multiaxial stresses are modeled by using either the principle of independent action (PIA), the Weibull normal stress averaging method (NSA), or the Batdorf theory. Inert strength and fatigue parameters are estimated from rupture strength data of naturally flawed specimens loaded in static, dynamic, or cyclic fatigue. The probabilistic time-dependent theories used in CARES/LIFE, along with the input and output for CARES/LIFE, are described. Example problems to demonstrate various features of the program are also included.

Nemeth, Noel N.↗

Dynamics of iodine geminate recombination in supercritical xenon solvent: Caging effect

Understanding the dynamics of chemical reactions in solutions is vital, as their rates and kinetics are significantly affected by the solvent environment. Supercritical solvents offer extensive applications in chemical reactions by enabling the manipulation of the solution environment. Here, in this study, we investigate the geminate recombination of iodine in a supercritical xenon solvent by using ReaxFF-based molecular dynamics simulations. Our findings reveal that the highest iodine recombination rate occurs near supercritical conditions, while lower-pressure conditions lead to reduced collision rates and unstable recombination, and higher-pressure conditions hinder iodine diffusion, resulting in a lower recombination rate. Our analysis shows that the xenon local density at the time of recombination is at least 2.5 times higher than the global density, confirming the presence of xenon clusters surrounding the Iodine atoms. This observation is further supported by coordination number analysis, which confirms an elevated xenon local density during recombination. In addition, the correlation between the total energy of xenon atoms within a cluster and recombined iodine atoms underscores the kinetic energy transfer process, validating the occurrence of geminate recombination. The excess kinetic energy from the recombining iodine atoms is transferred to the surrounding xenon atoms. Our examination of geminate recombination demonstrates that iodine atoms confined within xenon clusters—whether through manual insertion of atoms or the fast dissociation of an iodine molecule within xenon clusters—are more likely to recombine as primary geminate recombination. However, extending the iodine molecule dissociation time allows iodine atoms to diffuse out of the cluster, and the recombination to shift toward secondary geminate recombination.

Cage effect↗

ASTROP2 Users Manual: A Program for Aeroelastic Stability Analysis of Propfans

This manual describes the input data required for using the second version of the ASTROP2 (Aeroelastic STability and Response Of Propulsion systems - 2 dimensional analysis) computer code. In ASTROP2, version 2.0, the program is divided into two modules: 2DSTRIP, which calculates the structural dynamic information; and 2DASTROP, which calculates the unsteady aerodynamic force coefficients from which the aeroelastic stability can be determined. In the original version of ASTROP2, these two aspects were performed in a single program. The improvements to version 2.0 include an option to account for counter rotation, improved numerical integration, accommodation for non-uniform inflow distribution, and an iterative scheme to flutter frequency convergence. ASTROP2 can be used for flutter analysis of multi-bladed structures such as those found in compressors, turbines, counter rotating propellers or propfans. The analysis combines a two-dimensional, unsteady cascade aerodynamics model and a three dimensional, normal mode structural model using strip theory. The flutter analysis is formulated in the frequency domain resulting in an eigenvalue determinant. The flutter frequency and damping can be inferred from the eigenvalues.

Reddy, T. S. R.↗

Subjective Workload Assessment and Voluntary Control of Effort in a Tracking Task

A manual control tracking task was manipulated along two dimensions: (1) control order and (2) forcing function bandwidth. In the first phase of the experiment subjective workload assessments were collected. It was found that subjective assessments of workload were closely associated with performance in the case of increasing control order, but not in the case of increasing bandwidth. This was interpreted as indicating that subjective workload assessments are most appropriate for the study of increasing difficulty centered in response selection processes as opposed to response execution processes. In the second phase of the experiment the subjects were asked to voluntarily limit the effort they applied in the performance of the tracking task. The results indicate that the subjects were quite facile in doing this. However, comparison of these data to the findings of other studies that manipulated effort via dual-task biasing indicate that effort manipulation is much more potent in a single-task configuration. This finding is discussed in terms of multiple resource theories of attentional capacity. The utility of an analysis of covariance procedure in studying the relationships between subjective ratings and performance is highlighted.

Vidulich, M. A.↗

SEU/SET Tolerant Phase-Locked Loops

The phase-locked loop (PLL) is an old and widely used circuit for frequency and phase demodulation, carrier and clock recovery, and frequency synthesis [1]. Its implementations range from discrete components to fully integrated circuits and even to firmware or software. Often the PLL is a highly critical component of a system, as for example when it is used to derive the on-chip clock, but as of this writing no definitive single-event upset (SET)/single-event transient (SET) tolerant PLL circuit has been described. This chapter hopes to rectify that situation, at least in regard to PLLs that are used to generate clocks. Older literature on fault-tolerant PLLs deals with detection of a hard failure, which is recovered by replacement, repair, or manual restart of discrete component systems. Several patents exist along these lines (6349391, 6272647, and 7089442). A newer approach is to harden the parts of a PLL system, to one degree or another, such as by using a voltage-based charge pump or a triple modular redundant (TMR) voted voltage-controlled oscillator (VCO). A more comprehensive approach is to harden by triplication and voting (TMR) all the digital pieces (primarily the divider) of a frequency synthesis PLL, but this still leaves room for errors in the VCO and the loop filter. Instead of hardening or voting pieces of a system, such as a frequency synthesis system (i.e., clock multiplier), we will show how the entire system can be voted. There are two main ways of doing this, each with advantages and drawbacks. We will show how each has advantages in certain areas, depending on the lock acquisition and tracking characteristics of the PLL. Because of this dependency on PLL characteristics, we will briefly revisit the theory of PLLs. But first we will describe the characteristics of voters and their correct application, as some literature does not follow the voting procedure that guarantees elimination of errors. Additionally, we will find that voting clocks is a bit trickier than voting data where an infallible clock is assumed. It is our job here to produce (or recover) that assumed infallible clock!

Shuler, Robert L., Jr.↗

Gap Analysis of UAS Manuals and Hazards

Emerging aviation includes the use of small Unmanned Aerial Systems (UAS) in novel operations. The manufacture and operation of these small UAS are not as regulated as today’s commercial operation, and their widespread use introduces new risks and hazards to the general public. Today, there are case-by-case approvals for sUAS operations, particularly for emergency response operations in which the potential benefits to use of sUAS is perceived to outweigh potential risks. We analyze operational approvals, procedures, and concepts of operation to identify and categorize the risks and hazards that applicants and approvers are already considering, and also identify barriers and mitigations that the operators have already put in place. This analysis may help lead to routine checklists that standardize safety analysis and lead to more routine operations.

grounded theory↗