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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 1,099 records · Page 61

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NASA NTRS1989

Engineering the object-relation database model in O-Raid

Raid is a distributed database system based on the relational model. O-raid is an extension of the Raid system and will support complex data objects. The design of O-Raid is evolutionary and retains all features of relational data base systems and those of a general purpose object-oriented programming language. O-Raid has several novel properties. Objects, classes, and inheritance are supported together with a predicate-base relational query language. O-Raid objects are compatible with C++ objects and may be read and manipulated by a C++ program without any 'impedance mismatch'. Relations and columns within relations may themselves be treated as objects with associated variables and methods. Relations may contain heterogeneous objects, that is, objects of more than one class in a certain column, which can individually evolve by being reclassified. Special facilities are provided to reduce the data search in a relation containing complex objects.

Dewan, Prasun↗

NASA NTRS1997

An Accurate and Dynamic Computer Graphics Muscle Model

A computer based musculo-skeletal model was developed at the University in the departments of Mechanical and Biomedical Engineering. This model accurately represents human shoulder kinematics. The result of this model is the graphical display of bones moving through an appropriate range of motion based on inputs of EMGs and external forces. The need existed to incorporate a geometric muscle model in the larger musculo-skeletal model. Previous muscle models did not accurately represent muscle geometries, nor did they account for the kinematics of tendons. This thesis covers the creation of a new muscle model for use in the above musculo-skeletal model. This muscle model was based on anatomical data from the Visible Human Project (VHP) cadaver study. Two-dimensional digital images from the VHP were analyzed and reconstructed to recreate the three-dimensional muscle geometries. The recreated geometries were smoothed, reduced, and sliced to form data files defining the surfaces of each muscle. The muscle modeling function opened these files during run-time and recreated the muscle surface. The modeling function applied constant volume limitations to the muscle and constant geometry limitations to the tendons.

Levine, David Asher↗

DOE OSTI2024

Fingerprinting Interactions between Proteins and Ligands for Facilitating Machine Learning in Drug Discovery

Molecular recognition is fundamental in biology, underpinning intricate processes through specific protein–ligand interactions. This understanding is pivotal in drug discovery, yet traditional experimental methods face limitations in exploring the vast chemical space. Computational approaches, notably quantitative structure–activity/property relationship analysis, have gained prominence. Molecular fingerprints encode molecular structures and serve as property profiles, which are essential in drug discovery. While two-dimensional (2D) fingerprints are commonly used, three-dimensional (3D) structural interaction fingerprints offer enhanced structural features specific to target proteins. Machine learning models trained on interaction fingerprints enable precise binding prediction. Recent focus has shifted to structure-based predictive modeling, with machine-learning scoring functions excelling due to feature engineering guided by key interactions. Notably, 3D interaction fingerprints are gaining ground due to their robustness. Various structural interaction fingerprints have been developed and used in drug discovery, each with unique capabilities. This review recapitulates the developed structural interaction fingerprints and provides two case studies to illustrate the power of interaction fingerprint-driven machine learning. The first elucidates structure–activity relationships in β2 adrenoceptor ligands, demonstrating the ability to differentiate agonists and antagonists. The second employs a retrosynthesis-based pre-trained molecular representation to predict protein–ligand dissociation rates, offering insights into binding kinetics. Despite remarkable progress, challenges persist in interpreting complex machine learning models built on 3D fingerprints, emphasizing the need for strategies to make predictions interpretable. Binding site plasticity and induced fit effects pose additional complexities. Interaction fingerprints are promising but require continued research to harness their full potential.

3D structural interaction fingerprints↗

NASA NTRS2024

An Approach to Evaluating the Impact of Small-Core Turbofan Technologies on Engine and Aircraft Performance

NASA’s Hybrid Thermally Efficient Core (HyTEC) project aims to accelerate the development of small-core turbofan engine technologies to enable a fuel burn reduction of 5 to 10 percent for next-generation aircraft, compared to 2020s best-in-class technology. This paper presents a demonstration of methods for evaluating the potential performance impact of small-core engine technologies developed under Phase 1 of the HyTEC project. The approach involves model-based systems analysis, where small-core innovations are integrated into baseline turbofan and aircraft systems models, creating a notional vision system. Performance of the vision system is examined at both the engine and vehicle level. The examined performance metrics include: engine bypass ratio, overall pressure ratio, high pressure compressor exit corrected mass flow, and aircraft fuel burn. The CFM LEAP-1B28 and Boeing 737 MAX 8 are chosen as the baseline state-of-the-art systems. Preliminary results map a design space for the small-core vision system and quantify the distinct effects of technologies on the key metrics.

Michael A Bennett↗

NASA NTRSDate not supplied

An Approach to Evaluating the Impact of Small-core Turbofan Technologies on Engine and Aircraft Performance

Michael Bennett↗

NASA NTRS2012

The Astro-H Soft X-Ray Mirror

The Astro-H is led by the Japanese Space Agency (JAXA) in collaboration with many other institutions including the NASA Goddard Space Flight Center. Goddard's contributions include two soft X-ray telescopes (SXTs). The telescopes have an effective area of 562 square cm at 1 keV and 425 square cm at 6 keV with an image quality requirement of 1.7 arc-minutes half power diameter (HPD). The engineering model has demonstrated 1.1 arc-minutes HPD error. The design of the SXT is based on the successful Suzaku mission mirrors with some enhancements to improve the image quality. Two major enhancements are bonding the X-ray mirror foils to alignment bars instead of allowing the mirrors to float, and fabricating alignment bars with grooves within 5 microns of accuracy. An engineering model SXT was recently built and subjected to several tests including vibration, thermal, and X-ray performance in a beamline. Several lessons were learned during this testing that will be incorporated in the flight design. Test results and optical performance are discussed, along with a description of the design of the SXT.

Robinson, David↗

DOE OSTI2022

Sorghum bicolor Core Metabolism Model

Upregulation of triacylglycerols (TAGs) in vegetative plant tissues such as leaves has the potential to drastically increase the energy density and biomass yield of bioenergy crops. In this context, constraint-based analysis has the promise to improve metabolic engineering strategies. Here we present a core metabolism model for the C4 biomass crop Sorghum bicolor (iTJC1414) along with a minimal model for photosynthetic CO2 assimilation, sucrose and TAG biosynthesis in C3 plants. Extending iTJC1414 to a four-cell diel model we simulate C4 photosynthesis in mature leaves with the principal photo-assimilatory product being replaced by TAG produced at different levels. Independent of specific pathways and per unit carbon assimilated, energy content and biosynthetic demands in reducing equivalents are about 1.3 to 1.4 times higher for TAG than for sucrose. For plant generic pathways, ATP- and NADPH-demands per CO2 assimilated are higher by 1.3- and 1.5-fold, respectively. If the photosynthetic supply in ATP and NADPH in iTJC1414 is adjusted to be balanced for sucrose as the sole photo-assimilatory product, overproduction of TAG is predicted to cause a substantial surplus in photosynthetic ATP. This means that if TAG synthesis was the sole photo-assimilatory process, there could be an energy imbalance that might impede the process. Adjusting iTJC1414 to a photo-assimilatory rate that approximates field conditions, we predict possible daily rates of TAG accumulation, dependent on varying ratios of carbon partitioning between exported assimilates and accumulated oil droplets (TAG, oleosin) and in dependence of activation of futile cycles of TAG synthesis and degradation. We find that, based on the capacity of leaves for photosynthetic synthesis of exported assimilates, mature leaves should be able to reach a 20% level of TAG per dry weight within one month if only 5% of the photosynthetic net assimilation can be allocated into oil droplets. From this we conclude that high TAG levels should be achievable if TAG synthesis is induced only during a final phase of the plant life cycle.

Feedstock Production↗

NASA NTRS2008

Performance Evaluation and Modeling of Erosion Resistant Turbine Engine Thermal Barrier Coatings

The erosion resistant turbine thermal barrier coating system is critical to the rotorcraft engine performance and durability. The objective of this work was to determine erosion resistance of advanced thermal barrier coating systems under simulated engine erosion and thermal gradient environments, thus validating a new thermal barrier coating turbine blade technology for future rotorcraft applications. A high velocity burner rig based erosion test approach was established and a new series of rare earth oxide- and TiO2/Ta2O5- alloyed, ZrO2-based low conductivity thermal barrier coatings were designed and processed. The low conductivity thermal barrier coating systems demonstrated significant improvements in the erosion resistance. A comprehensive model based on accumulated strain damage low cycle fatigue is formulated for blade erosion life prediction. The work is currently aiming at the simulated engine erosion testing of advanced thermal barrier coated turbine blades to establish and validate the coating life prediction models.

Miller, Robert A.↗

DOE OSTI2021

Can artificial intelligence and data-driven machine learning models match or even replace process-driven hydrologic models for streamflow simulation?: A case study of four watersheds with different hydro-climatic regions across the CONUS

With recent developments in computational techniques, Data-driven Machine Learning Models (DMLs) have shown great potential in simulating streamflow and capturing the rainfall-runoff relationship in given watersheds, which are traditionally fulfilled by Process-based Hydrologic Models (PHMs). There are debates on whether the DMLs can outperform and possibly replace the classical PHMs for streamflow simulation and river forecasting, but no clear conclusions have been made. This study aims to investigate whether the newer DMLs have any potential in further improving the simulation accuracy of classical PHMs, and vice versa. To do this, we compared a few popular PHMs and DMLs over four watersheds across the Continental US (CONUS) that are associated with different input, climate, and regional conditions. A total of five hydrologic models were chosen, including (1) two classical lumped models, i.e., the Sacramento Soil Moisture Accounting (SAC-SMA) and Xinanjiang (XAJ); (2) one modern distributed model, termed Coupled Routing and Excess Storage (CREST); (3) and two DMLs including an Artificial Neural Networks (ANN) and a deep learning model, termed Long Short Term Memory (LSTM). Our results demonstrated that the DMLs still significantly biased when using the baseline input scenario with the PHMs. However, the DMLs fed with delayed input scenarios had great potential and can reach high simulation accuracy. The DMLs, especially the ANN, outperformed other employed models under the rainfall-runoff relationship in which rainfall dominantly drives. Furthermore, the DMLs also showed better performance in the high-flow regime, while the PHMs had a better performance for the low-flow regime, implying both PHMs and DMLs have their own merits and are worthy of joint development. In general, our study indicated a great potential of using DMLs to simulate streamflow, but further studies are still needed to verify the transferability and scalability of DMLs in large-scale experiments, such as the Distributed Model Intercomparison Projects 1&2 conducted by National Weather Services but to compare modern DMLs and PHMs.

58 GEOSCIENCES↗

DOE OSTI2019

Combined crystal plasticity and grain boundary modeling of creep in ferritic-martensitic steels: II. The effect of stress and temperature on engineering and microstructural properties

This paper describes a series of physically-based crystal plasticity finite element method (CPFEM) simulations of long-term creep and creep rupture of Grade 91 steel. It is Part 2 of a two part series of papers. Part 1 describes the simulation framework; this part focuses on specific simulations and on how the predicted long-term creep properties of Grade 91 compare to the assumptions used in current high temperature design practices. This work extends the model developed in Part 1 to look at creep properties at different temperatures, principal stresses, and multiaxial stress states. The simulations show that empirically extrapolating creep rupture stresses from short-term experimental data may substantially over predict the actual long-term creep properties of Grade 91. Additionally, the CPFEM calculations predict a transition from notch strengthening creep behavior for high values of maximum principal stress and moderate notch severity to notch weakening behavior for low principal stresses and more severe notches. The latter regime better categorizes conditions in engineering components designed for long term elevated temperature use, which implies Grade 91 may be a notch weakening material in actual service. This would have a significant impact on high temperature design practices, though confirmatory test data on long-life, low stress notched specimens is difficult to obtain. Finally, one advantage of the physically-based modeling approach adopted here is that the simulation results also elucidate the microstructural mechanisms causing the macroscopic trends in engineering properties predicted by the simulations. This paper shows that the detailed micromechanical mechanisms predicted by the CPFEM simulations can be abstracted with a simple micromechanical model that can be used to both explain the detailed results and make improved predictions of engineering properties from experimental data.

36 MATERIALS SCIENCE↗

NASA NTRS1989

Radiative heat transfer in rocket thrust chambers and nozzles

Numerical models based on the discrete exchange factor (DEF) and the zonal methods for radiative analysis of rocket engines containing a radiatively participating medium have been developed. These models implement a new technique for calculating the direct exchange factors to account for possible blockage by the nozzle throat. Given the gas and surface temperature distributions, engine geometry, and radiative properties, the models compute the wall radiative heat fluxes at different axial positions. The results of sample calculations for a typical rocket engine (engine 700 at NASA), which uses RP-1 (a kerosene-type propellant), are presented for a wide range of surface and gas properties. It is found that the heat transfer by radiation can reach up to 50 percent of that due to convection. The maximum radiative heat flux is at the inner side of the engine, where the gas temperature is the highest. While the results of both models are in excellent agreement, the computation time of the DEF method is found to be much smaller.

Hammad, K. J.↗

NASA NTRS1992

Two equation modelling and the pseudo compressibility technique

The primary objective of the Center for Modelling of Turbulence and Transition (CMOTT) is to further the understanding of turbulence theory for engineering applications. One important foundation is the establishment of a data base encompassing the multitude of existing models as well as newly proposed ideas. The research effort described is a precursor to an extended survey of two equation turbulence models in the presence of a separated shear layer. Recently, several authors have examined the performance of two equation models in the context of the backward facing step flow. Conflicting results, however, demand that further attention is necessary to properly understand the behavior and limitations of this popular technique, especially the low Reynolds number formulations. The objective is to validate an incompressible Navier Stokes code for use as a numerical test-bed. In turn, this code will be used for analyzing the performance of several two equation models.

Steffen, C. J., Jr.↗

DOE OSTI2019

Laser-Generated Ag Nanoparticles in Mesoporous TiO 2 Films: Formation Processes and Modeling-Based Size Prediction

Controlling the formation of nanoparticles (NPs) by direct laser writing ensures an efficient way of engineering the optical responses of nanocomposite materials through adjusting laser parameters such as power, focusing, and writing speed. The growth of NPs, photo-oxidation, and reduction affect the light absorption by an ensemble of laser-activated NPs. However, those self-consistent processes are not well understood. Previous studies explained the growth or shrinkage of silver NPs by neglecting heat diffusion. It remained unclear, however, how the NP size can be controlled by the laser writing speed. In this work, based on the coupled calculations of size variation, heat diffusion, and light absorption by an ensemble of NPs, we propose a two-dimensional model taking into account the spatial information of size and temperature. The spatial size distribution is revealed to be nonuniform, leading to the transmission inhomogeneity along the laser written lines. This fact is confirmed by the in situ transmission experiments. The performed study also depicts a novel view in which NPs grow ahead of the laser beam center because of the heat diffusion. The nonlinear growth never stops until it exhausts the majority of the free Ag 0 in the matrix, while the amount of Ag 0 by reduction cannot compensate the consumption. After that, the photo-oxidation dominates the process and finally controls the writing speed dependency of NP's size. Finally, the simulations also show that it is not the activation energy of Ag 0 diffusion, but the ionization efficiency affects the final NP size, which helps to understand how to improve the laser processing of differently prepared samples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2013

NREL Wind Integrated System Design and Engineering Model

NREL_WISDEM is an integrated model for wind turbines and plants developed In python based on the open source software OpenMDAO. NREL_WISDEM is a set of wrappers for various wind turbine and models that integrate pre-existing models together into OpenMDAO. It is organized into groups each with their own repositories including Plant_CostSE. Plant_EnergySE, Turbine_CostSE and TurbineSE. The wrappers are designed for licensed and non-licensed models though in both cases, one has to have access to and install the individual models themselves before using them in the overall software platform.

Ning, S. Andrew↗

NASA NTRS1992

The software-cycle model for re-engineering and reuse

This paper reports on the progress of a study which will contribute to our ability to perform high-level, component-based programming by describing means to obtain useful components, methods for the configuration and integration of those components, and an underlying economic model of the costs and benefits associated with this approach to reuse. One goal of the study is to develop and demonstrate methods to recover reusable components from domain-specific software through a combination of tools, to perform the identification, extraction, and re-engineering of components, and domain experts, to direct the applications of those tools. A second goal of the study is to enable the reuse of those components by identifying techniques for configuring and recombining the re-engineered software. This component-recovery or software-cycle model addresses not only the selection and re-engineering of components, but also their recombination into new programs. Once a model of reuse activities has been developed, the quantification of the costs and benefits of various reuse options will enable the development of an adaptable economic model of reuse, which is the principal goal of the overall study. This paper reports on the conception of the software-cycle model and on several supporting techniques of software recovery, measurement, and reuse which will lead to the development of the desired economic model.

Bailey, John W.↗

NASA NTRS1984

An approach to software cost estimation

A general procedure for software cost estimation in any environment is outlined. The basic concepts of work and effort estimation are explained, some popular resource estimation models are reviewed, and the accuracy of source estimates is discussed. A software cost prediction procedure based on the experiences of the Software Engineering Laboratory in the flight dynamics area and incorporating management expertise, cost models, and historical data is described. The sources of information and relevant parameters available during each phase of the software life cycle are identified. The methodology suggested incorporates these elements into a customized management tool for software cost prediction. Detailed guidelines for estimation in the flight dynamics environment developed using this methodology are presented.

Mcgarry, F.↗

DOE OSTI2024

Inverse design for waveguide dispersion with a differentiable mode solver

Inverse design of optical components based on adjoint sensitivity analysis has the potential to address the most challenging photonic engineering problems. However, existing inverse design tools based on finite-difference-time-domain (FDTD) models are poorly suited for optimizing waveguide modes for adiabatic transformation or perturbative coupling, which lies at the heart of many important photonic devices. Among these, dispersion engineering of optical waveguides is especially challenging in ultrafast and nonlinear optical applications involving broad optical bandwidths and frequency-dependent anisotropic dielectric material response. In this work, we develop gradient back-propagation through a general-purpose electromagnetic eigenmode solver and use it to demonstrate waveguide dispersion optimization for second harmonic generation with maximized phase-matching bandwidth. This optimization of three design parameters converges in eight steps, reducing the computational cost of optimization by ∼100x compared to exhaustive search and identifying new designs for broadband optical frequency doubling of laser sources in the 1.3–1.4 µm wavelength range. Furthermore, we demonstrate that the computational cost of gradient back-propagation is independent of the number of parameters, as required for optimization of complex geometries. This technique enables practical inverse design for a broad range of previously intractable photonic devices.

Gray, Dodd (ORCID:000000030469599X)↗

NASA NTRSDate not supplied

Analysis of Darkened Fragments Resulting from Laboratory Hypervelocity Experiments

NASA’s Orbital Debris Program Office (ODPO) relies on measurements from optical, radar, and in situ measurements to facilitate the development of data-driven orbital debris environmental engineering models such as the NASA Orbital Debris Engineering Model (ORDEM). For optical measurements, the ODPO relies on ground-based optical telescopes to statistically assess objects in geosynchronous orbit and, in the future, low Earth orbit (LEO). The data collected include the detected object’s orbital parameters, time of observation, and optical magnitude. The latter parameter can be converted to a size using NASA’s optical Size Estimation Model (oSEM). It is well known that the observed magnitude of orbital debris can vary based on an object's material constituents, observational geometry, and the effects of space weathering. To assess these magnitude variations, the ODPO uses the Optical Measurement Center (OMC) at NASA Johnson Space Center to characterize a variety of materials and fragments from laboratory impact tests representative of fragments that constitute the orbital debris population. One experiment was DebriSat: a 56 kg spacecraft was built to incorporate structural elements of a modern LEO spacecraft and was subjected to a hypervelocity impact test at the U.S. Air Force’s Arnold Engineering Development Complex using test parameters that may be encountered in LEO. The DebriSat project has provided an abundance of information for assessing fragmentation debris in terms of material, color, shape, size, density, mass, and other derived parameters. Prior to the impact test, the ODPO collected spectral measurements on a subset of the materials used to construct DebriSat for a “ground-truth” of their optical properties. After the successful hypervelocity impact test, the DebriSat team observed a fine, dark dust coating all the fragments. Prior research has suggested that this came from ablated material deposited on the fragments during the impact test, causing a change in the reflective properties [1]. Given that this lower reflectivity on the DebriSat fragments will influence the laboratory-acquired magnitudes used to calculate size and inform potential updates to the oSEM, it is critical to assess if this darkening effect on the DebriSat fragments is a laboratory bias or something that could occur in on-orbit breakup events. This paper will provide a brief overview of the OMC and DebriSat experiment, focused on the optical characterization of a subset of materials using broadband photometric measurements and spectroscopic measurements. In addition, elemental analysis of various DebriSat fragments and the soft-catch foam used in the hypervelocity experiment compared with pristine foam will be examined to further evaluate the source of the dark material coating all fragments. Finally, the authors will present a twofold plan 1) for assessing potential biases in laboratory impact experiments that could affect laboratory optical characterization and 2) for mitigating biases when compared with ground-based optical telescopic measurements of the orbital debris environment.

Heather Cowardin↗