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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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35 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Development and validation of the cavitation-induced erosion risk assessment tool

This work presents the development of a cavitation-induced erosion risk assessment (CIERA) tool that links multiphase flow simulation predictions with the progress towards material erosion. To develop a robust erosion modeling tool, the cavitation and erosion predictions for pressurized diesel fuel flow within a channel geometry were validated over a range of Reynolds and cavitation number conditions in two different aluminum channel geometries, one featuring a rounded inlet corner and the other with a sharp inlet corner. The multiphase flow development within the channel was modeled using a compressible mixture model, where phase change was represented with the homogeneous relaxation model and the turbulent flow evolution was modeled using a dynamic structure approach for Large Eddy Simulations. To improve representation of the incubation period before material rupture over existing approaches, a physics-based metric was derived based on the cumulative energy absorbed by the solid material from repeated hydrodynamic impacts. When the average peak pressure was related to the incubation period, the incubation period and its sensitivity to changes in flow conditions were found to be overpredicted. In contrast, predictions from CIERA provided a more accurate means to qualitatively and quantitatively predict the influence of flow conditions on the incubation period before material erosion. When the predicted stored energy was related to the solid material properties to estimate the incubation period, multiphase flow simulations demonstrated accurate representation of the sensitivity of erosion severity to changes in flow conditions. The use of CIERA led to quantitative agreement of the predicted incubation period within 5% of the experimentally measured incubation period.

42 ENGINEERING↗
DOE OSTI2022

Development of an Open-source Alloy Selection and Lifetime Assessment Tool for Structural Components in CSP

Lack of sufficient data on high temperature mechanical and corrosion behavior of structural materials is a huge barrier in the technological maturity of current and future Concentrating Solar Power (CSP) technologies. Rapid development and selection of materials cannot be achieved by expensive and time-consuming acquisition of experimental data. The goal of the proposed work is development of an open-source alloy selection and lifetime prediction tool that will integrate validated physics-based models to describe influence of temperature, alloy composition, environment and component geometry (thickness) on mechanical and corrosion behavior of Ni and Fe-based alloys employed in molten salts/sCO 2 heat exchangers. This one-year project leveraged the extensive dataset on the creep\corrosion behavior of candidate materials generated at ORNL through past projects and input from current collaborations with industrial partners. Based on previous experience and the feedback provided by industry (Brayton Energy and Echogen), three candidate materials of interest, Ni-based alloys 740H, 282 and 625 and application-specific operating conditions (max. temperature of 730 °C and stress of 150 MPa) were identified for the heat exchanger. An extensive corrosion and creep dataset was assimilated for the relevant operating conditions and was supported by detailed characterization of about 100 metallographic cross-sections. The corrosion dataset consisted of scanning electron microscopy images (secondary electron and backscatter electron), measured concentration profiles of alloying elements using energy dispersive X-ray spectroscopy (EDS), widths of denuded zones (dissolution of strengthening phases) and depths of attack in molten KCl-MgCl 2 mixtures using image analyses. The creep dataset comprised of creep rupture data and creep strain curves (for 740H and 282). Coupled thermodynamic-kinetic microstructure-based models were employed to predict the stress-corrosion induced compositional and phase evolutions in the alloy during operation under the identified operating conditions. Reduced order models were developed from advanced physics-based models and were integrated in a user-friendly alloy selection tool. The corrosion model was able to predict the time to a critical Cr concentration at the oxide/alloy interface (chemical lifetime) within ±10% (1 standard deviation) of typical statistical variation in corrosion tests and EDS measurement errors (±0.5 wt%). The initial scope of the project was limited to predict creep rupture times (Larson-Miller parameter). Based on the input provided by industry, the mechanical lifetime of the heat exchanger is governed by accumulated creep strains (2%) rather than creep rupture. To be able to predict the times to specific creep strains, a more extensive creep model development was undertaken largely beyond the initial scope of the project. The continuum damage mechanics creep model was able to predict times to 2% creep strain, t 2% with an accuracy of ±500h. Ultimately, a screening protocol for SiC was generated to demonstrate the pathway for integration of one of the currently immature materials from a commercial adoption standpoint in the current material evaluation tool. The modeling tool developed here is accessible to the science community and stakeholders and lays the foundation for methods that will enable a rapid evaluation of optimum materials for CSP applications and reliable prediction of material degradation thereby considerably reducing operational costs, improving reliability and increasing overhaul intervals. However, the complete potential of such a tool to include a wider range of materials and test conditions can only be realized with a more concentrated combined experimental-characterization-computation effort.

14 SOLAR ENERGY↗
DOE OSTI2021

Variability of near-fault seismic risk to reinforced concrete buildings based on high-resolution physics-based ground motion simulations

Broadband physics-based simulated earthquake ground motions are utilized to characterize the regional-scale seismic risk to modern reinforced concrete (RC) structures. A highly dense dataset of ground motions covering a 100-km urn:x-wiley:00988847:media:eqe3413:eqe3413-math-0001 40-km domain was generated using kinematic fault rupture models with varying rupture characteristics to represent shallow crustal earthquakes and resolved up to frequencies of 5 Hz. Over 40,000 nonlinear response history simulations of short- and mid-rise RC special moment frame buildings were conducted using simulation models that are capable of representing nonlinear behavior and component deterioration effects. The spatial variability of structural risk within a single earthquake scenario and between different rupture scenarios is examined, and the regions of strongest directivity effects and highest structural demands are identified. The structural demands may vary by factor of up to 8.0 at very short distances from the fault, and the large dispersion in the demands decreases significantly beyond a distance of 15 km. The interstory drift and member rotation demands are substantially impacted by important features of the geological structure and the characteristics of the rupture scenarios, particularly the presence of localized high-slip regions. The frequency characteristics of the structures are found to play an important role in determining the effects of near-fault ground motions on the structural response and expected damage. The results of this study suggest that the simulated ground motions, particularly those generated using the hybrid rupture approach, may offer reasonable structural risk estimates for low-frequency structures and conservative estimates for high-frequency structures.

58 GEOSCIENCES↗
DOE OSTI2019

Quarterly Management Document – FY19, 3rd Quarter, Physics-based Creep Simulations of Thick Section Welds in High Temperature and Pressure Applications

During the 3rd quarter of FY19, a strategy was developed to incorporate creep damage arising from diffusional processes into a computational model describing creep behavior of thick section welds in Alloy 740H. This approach will be followed in the 4th quarter modify the existing creep model to include diffusional damage processes in its predictions of creep behavior and especially the transition to tertiary creep behavior which will allow the prediction of creep rupture time.

36 MATERIALS SCIENCE↗
NASA NTRS2011

Physics-Based Design Tools for Lightweight Ceramic Composite Turbine Components with Durable Microstructures

Under the Supersonics Project of the NASA Fundamental Aeronautics Program, modeling and experimental efforts are underway to develop generic physics-based tools to better implement lightweight ceramic matrix composites into supersonic engine components and to assure sufficient durability for these components in the engine environment. These activities, which have a crosscutting aspect for other areas of the Fundamental Aero program, are focusing primarily on improving the multi-directional design strength and rupture strength of high-performance SiC/SiC composites by advanced fiber architecture design. This presentation discusses progress in tool development with particular focus on the use of 2.5D-woven architectures and state-of-the-art constituents for a generic un-cooled SiC/SiC low-pressure turbine blade.

DiCarlo, James A.↗
DOE OSTI2021

Engineering evaluation of the EQSIM simulated ground-motion database: The San Francisco Bay Area region

Ground-motion simulations for infrequent earthquake scenarios are gaining increasing interest in the engineering community for their potential to inform performance-based structural design and assessment, particularly in regions where major earthquakes are expected, but recordings from consistent historical events are not available. However, the absence of empirical data makes the evaluation of such scenarios and the interpretation of the simulation results very challenging. In this context, this paper presents the evaluation of the first EQSIM (v.1.1.0) ground-motion simulations generated for the San Francisco Bay Area (SFBA) region. The current database, which is at the first stages of development, includes eight realizations of a Hayward Fault M w 7 event. The evaluation of the simulated motions is first conducted on the average ground-motion amplitudes through comparison against the NGA-W2 GMPEs and a selected population of real records. A methodology for selecting a population of real records consistent with the simulated event is proposed. The objective of the proposed evaluation is twofold: (1) build confidence in the realistic character of the simulated motions for their use in engineering applications and (2) offer a critical physics-based interpretation of the simulation results that can help improve key features of the simulation models. To further investigate the implications of using the simulated ground motions for site-specific structural assessments, the ASCE7-16 approach is employed for the analysis of two hazard-consistent near-field sites in the SFBA. Results are discussed. Furthermore, this study offers a critical review of the EQSIM (v.1.1.0) SFBA ground-motion simulations and suggestions for improving the earthquake rupture models.

58 GEOSCIENCES↗
NASA NTRS2011

Hazards Induced by Breach of Liquid Rocket Fuel Tanks: Conditions and Risks of Cryogenic Liquid Hydrogen-Oxygen Mixture Explosions

We analyze the data of purposeful rupture experiments with LOx and LH2 tanks, the Hydrogen-Oxygen Vertical Impact (HOVI) tests that were performed to clarify the ignition mechanisms, the explosive power of cryogenic H2/Ox mixtures under different conditions, and to elucidate the puzzling source of the initial formation of flames near the intertank section during the Challenger disaster. We carry out a physics-based analysis of general explosions scenarios for cryogenic gaseous H2/Ox mixtures and determine their realizability conditions, using the well-established simplified models from the detonation and deflagration theory. We study the features of aerosol H2/Ox mixture combustion and show, in particular, that aerosols intensify the deflagration flames and can induce detonation for any ignition mechanism. We propose a cavitation-induced mechanism of self-ignition of cryogenic H2/Ox mixtures that may be realized when gaseous H2 and Ox flows are mixed with a liquid Ox turbulent stream, as occurred in all HOVI tests. We present an overview of the HOVI tests to make conclusion on the risk of strong explosions in possible liquid rocket incidents and provide a semi-quantitative interpretation of the HOVI data based on aerosol combustion. We uncover the most dangerous situations and discuss the foreseeable risks which can arise in space missions and lead to tragic outcomes. Our analysis relates to only unconfined mixtures that are likely to arise as a result of liquid propellant space vehicle incidents.

Osipov, Viatcheslav↗
DOE OSTI2025

An open-access simulated earthquake ground-motion database for an M7 Hayward Fault earthquake in the San Francisco Bay Region

Comprehensive understanding of earthquake ground motions, particularly in the near-fault region of large-magnitude events, is limited by gaps in strong-motion data. This challenge is prominent in areas with high seismic hazard but infrequent large earthquakes where data is sparse and difficult to interpret. These data limitations lead to uncertainties in the development of site-specific ground motions, which are crucial for engineering risk assessments. To address these challenges, physics-based regional-scale ground-motion simulations have been developed. With the emergence of exaflop-scale computing ecosystems, it is now possible to simulate regional earthquake processes at unprecedented fidelity and generate the large number of fault rupture realizations necessary to characterize both intra- and inter-event ground-motion variability. This article introduces a new database of simulated earthquake ground motions, created for applications in earthquake engineering, earthquake planning, and emergency response. The inaugural version of the database features simulated ground motions for a magnitude 7 Hayward Fault earthquake in the San Francisco Bay Region (SFBR), using the EarthQuake SIMulation (EQSIM) simulation framework and the Graves–Pitarka kinematic rupture model. The aim is to provide high-fidelity, spatially dense, three-component motions generated on the Department of Energy’s (DOE) newest generation of graphics processing unit (GPU)-accelerated supercomputers. These motions are being made openly available to the engineering, scientific, and disaster planning communities. In addition, this work develops protocols for the efficient dissemination of these large data sets and emphasizes community engagement to build confidence in their application. This article discusses the methodology behind the data, underlying software verification and validation, scalable data management, and a user interface for data access. The goal is to facilitate widespread use and elicit expert feedback to maximize the utility and exploitation of simulated motions. While the initial focus is on the San Francisco Region, simulations for additional regions will be added as the DOE program progresses.

Simulated ground-motion database↗
DOE OSTI2022

Deformation and Fracture Behaviors of Cylindrical Battery Shell During Thermal Runaway

Thermal runaway is one of the catastrophic failure modes of lithium-ion cells. During thermal runaway in cylindrical cells, sidewall shell rupture has been identified as a contributing factor for thermal runaway propagation in battery packs. Herein, the deformation and fracture behaviors of the battery shell during thermal runaway are investigated based on in-situ and ex-situ characterization as well as physics-based modeling. The deformation and fracture modes of the battery shell with/without Carbon Fiber Reinforced Polymer (CFRP) sleeves are identified. In the simulation, the strain introduced by thermal expansion of the system is considered, as well as the thermal and strain rate effects on the plastic stage. The final cell shell modeling is validated by cell thermal runaway tests. Results reveal the quantitative relation between shell deformation behaviors and the pressure and temperature distribution. Both the experiment and model demonstrate the effectiveness of adding a tight-fitting CFRP sleeve around the cell in limiting the side-wall rupture of the shell. The use of CFRP tubes introduces a novel phenomenon in the context of uneven temperature distribution. Results shed light on the mechanistic analysis of a cell side-wall rupture during thermal runaway and provide essential guidance for the next-generation safe battery design.

battery casing↗
DOE OSTI2023

Development of a health monitoring framework: Application to a supercritical pulverized coal-fired boiler

In this study, this work details the development of a physics-based equipment health monitoring framework for a supercritical boiler, using first-principles models to estimate the remaining useful life (RUL) of its components. The framework accounts for fatigue and creep life consumption, generating spatio-temporal variations in mechanical and thermal stress. Analysis of the stress profile throughout the boiler highlights the finishing superheater inlet steam header as a vulnerable location susceptible to damage from cycling operation. The framework also yields quantified uncertainty in the RUL projection for specific locations, accounting for uncertainties in material properties and boiler operation. Results indicate that operational uncertainties (e.g., seasonal variation and operational strategy) and material properties (e.g., rupture time coefficients, Young’s modulus, yield strength, and coefficient of thermal expansion) significantly impact the RUL of the finishing superheater inlet steam header. Additionally, case studies demonstrate the use of the health monitoring framework as a predictive tool for operational planning under uncertainty, including scenarios with and without updates on the operation of the boiler.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2021

Coupling of regional geophysics and local soil-structure models in the EQSIM fault-to-structure earthquake simulation framework

Accurate understanding and quantification of the risk to critical infrastructure posed by future large earthquakes continues to be a very challenging problem. Earthquake phenomena are quite complex and traditional approaches to predicting ground motions for future earthquake events have historically been empirically based whereby measured ground motion data from historical earthquakes are homogenized into a common data set and the ground motions for future postulated earthquakes are probabilistically derived based on the historical observations. This procedure has recognized significant limitations, principally due to the fact that earthquake ground motions tend to be dictated by the particular earthquake fault rupture and geologic conditions at a given site and are thus very site-specific. Historical earthquakes recorded at different locations are often only marginally representative. There has been strong and increasing interest in utilizing large-scale, physics-based regional simulations to advance the ability to accurately predict ground motions and associated infrastructure response. However, the computational requirements for simulations at frequencies of engineering interest have proven a major barrier to employing regional scale simulations. In a U.S. Department of Energy Exascale Computing Initiative project, the EQSIM application development is underway to create a framework for fault-to-structure simulations. This framework is being prepared to exploit emerging exascale platforms in order to overcome computational limitations. This article presents the essential methodology and computational workflow employed in EQSIM to couple regional-scale geophysics models with local soil-structure models to achieve a fully integrated, complete fault-to-structure simulation framework. Here, the computational workflow, accuracy and performance of the coupling methodology are illustrated through example fault-to-structure simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

CALPHAD-based ICME design of single-step aging to enhance mechanical strength of WAAM Haynes 282

To match the strength of wire-arc additive manufactured Haynes 282 to its wrought counterpart via a single-step aging heat treatment, the CALPHAD (Calculation of Phase Diagrams) method is integrated with physics-based process-structure-property models and experimental validation. The integrated computational materials engineering (ICME) framework simulates the effects of aging on γ′ and M 23 C 6 precipitation and the resulting yield strength. To improve simulation reliability, the interfacial energies between γ/γ′ and γ/M 23 C 6 carbides were estimated by comparison with precipitation kinetic modeling and measured precipitate sizes. γ′ and M23C6 were found to precipitate simultaneously between 640 and 860 °C, producing microstructures similar to those produced by two-step aging. The optimal γ′ size for peak yield stress was calculated to be 20–23 nm. WAAM Haynes 282 aged at 780 °C for 50 h exceeded the mechanical performance of its wrought counterpart subjected to two-step aging, though desired properties can also be achieved at 800 °C for 16 h or less. The error in yield strength is less than 20 MPa, demonstrating good agreement between the modeling framework and experiments. Creep studies showed that WAAM Haynes 282 exceeded the calculated rupture time, reaching 481 h. This proposed methodology can accelerate the design of aging heat treatments for any γ′-strengthened nickel-base alloy, minimizing the resources required for trial-and-error experiments.

CALPHAD↗
NASA NTRS2008

Further Developments in Modeling Creep Effects Within Structural SiC/SiC Components

Anticipating the implementation of advanced SiC/SiC composites into turbine section components of future aero-propulsion engines, the primary objective of this on-going study is to develop physics-based analytical and finite-element modeling tools to predict the effects of constituent creep on SiC/SiC component service life. A second objective is to understand how to possibly manipulate constituent materials and processes in order to minimize these effects. Focusing on SiC/SiC components experiencing through-thickness stress gradients (e.g., airfoil leading edge), prior NASA creep modeling studies showed that detrimental residual stress effects can develop globally within the component walls which can increase the risk of matrix cracking. These studies assumed that the SiC/SiC composites behaved as isotropic viscoelastic continuum materials with creep behavior that was linear and symmetric with stress and that the creep parameters could be obtained from creep data as experimentally measured in-plane in the fiber direction of advanced thin-walled 2D SiC/SiC panels. The present study expands on those prior efforts by including constituent behavior with non-linear stress dependencies in order to predict such key creep-related SiC/SiC properties as time-dependent matrix stress, constituent creep and content effects on composite creep rates and rupture times, and stresses on fiber and matrix during and after creep.

Lang, Jerry↗
NASA NTRS2008

Modeling Creep Effects within SiC/SiC Turbine Components

Anticipating the implementation of advanced SiC/SiC ceramic composites into the hot section components of future gas turbine engines, the primary objective of this on-going study is to develop physics-based analytical and finite-element modeling tools to predict the effects of constituent creep on SiC/SiC component service life. A second objective is to understand how to possibly select and manipulate constituent materials, processes, and geometries in order to minimize these effects. In initial studies aimed at SiC/SiC components experiencing through-thickness stress gradients, creep models were developed that allowed an understanding of detrimental residual stress effects that can develop globally within the component walls. It was assumed that the SiC/SiC composites behaved as isotropic visco-elastic materials with temperature-dependent creep behavior as experimentally measured in-plane in the fiber direction of advanced thin-walled 2D SiC/SiC panels. The creep models and their key results are discussed assuming state-of-the-art SiC/SiC materials within a simple cylindrical thin-walled tubular structure, which is currently being employed to model creep-related effects for turbine airfoil leading edges subjected to through-thickness thermal stress gradients. Improvements in the creep models are also presented which focus on constituent behavior with more realistic non-linear stress dependencies in order to predict such key creep-related SiC/SiC properties as time-dependent matrix stress, constituent creep and content effects on composite creep rates and rupture times, and stresses on fiber and matrix during and after creep.

DiCarlo, J. A.↗
DOE OSTI2025

Simulation of Creep Deformation and Failure in Graded AM Microstructures

This report describes modeling tools and techniques developed to simulate the long-term material performance of 316H stainless steel manufactured using Laser Powder Bed Fusion (LPBF). A physics-based Crystal Plasticity Finite Element model is used to simulate creep in microstructures and to study the roles of grain morphology, porosity, and texture. We describe our modeling methodology, including an orientation-mapping technique to capture the spatially varying crystallographic orientation that results from the build conditions. Our study of microstructural features shows that AM microstructures produced by LPBF tend to creep faster in the build direction, while texture and grain boundaries strengthen the transverse directions. However, when grain-boundary porosity and the consequent cavity growth are included in the model, the transverse directions begin to creep faster. In examining texture, the results indicate that spatially varying orientation arising from the build conditions increases anisotropy in the material, making it critical to account for orientation gradients in the material to accurately model its mechanical behavior. We also describe a material-model calibration campaign in which we calibrated the constitutive model specifically for LPBF 316H stainless steel at 725℃ for both solution-annealed and as-built conditions. Finally, these tools and techniques are used to model creep in microstructures representing different regions of an LPBF material with graded microstructure, owing to intentional variation in processing conditions. The creep simulation results show good agreement with experimental data across all three microstructures, with future work planned to study rupture in the material.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Validation of (not-historical) large-event near-fault ground-motion simulations for use in civil engineering applications

Ground-motion simulations generated from physics-based wave propagation models are gaining increasing interest in the engineering community for their potential to inform the performance-based design and assessment of infrastructure residing in active seismic areas. A key prerequisite before the ground-motion simulations can be used with confidence for application in engineering domains is their comprehensive and rigorous investigation and validation. This article provides a four-step methodology and acceptance criteria to assess the reliability of simulated ground motions of not historical events, which includes (1) the selection of a population of real records consistent with the simulated scenarios, (2) the comparison of the distribution of Intensity Measures (IMs) from the simulated records, real records, and Ground-Motion Prediction Equations (GMPEs), (3) the comparison of the distribution of simple proxies for building response, and (4) the comparison of the distribution of Engineering Demand Parameters (EDPs) for a realistic model of a structure. Specific focus is laid on near-field ground motions (<10km) from large earthquakes (M w 7), for which the database of real records for potential use in engineering applications is severely limited. The methodology is demonstrated through comparison of (2490) near-field synthetic records with 5 Hz resolution generated from the Pitarka et al (2019) kinematic rupture model with a population of (38) pulse-like near-field real records from multiple events and, when applicable, with NGA-W2 GMPEs. Lastly, the proposed procedure provides an effective method for informing and advancing the science needed to generate realistic ground-motion simulations, and for building confidence in their use in engineering domains.

42 ENGINEERING↗
DOE OSTI2023

Incorporating Full Elastodynamic Effects and Dipping Fault Geometries in Community Code Verification Exercises for Simulations of Earthquake Sequences and Aseismic Slip (SEAS)

ABSTRACT Numerical modeling of earthquake dynamics and derived insight for seismic hazard relies on credible, reproducible model results. The sequences of earthquakes and aseismic slip (SEAS) initiative has set out to facilitate community code comparisons, and verify and advance the next generation of physics-based earthquake models that reproduce all phases of the seismic cycle. With the goal of advancing SEAS models to robustly incorporate physical and geometrical complexities, here we present code comparison results from two new benchmark problems: BP1-FD considers full elastodynamic effects, and BP3-QD considers dipping fault geometries. Seven and eight modeling groups participated in BP1-FD and BP3-QD, respectively, allowing us to explore these physical ingredients across multiple codes and better understand associated numerical considerations. With new comparison metrics, we find that numerical resolution and computational domain size are critical parameters to obtain matching results. Codes for BP1-FD implement different criteria for switching between quasi-static and dynamic solvers, which require tuning to obtain matching results. In BP3-QD, proper remote boundary conditions consistent with specified rigid body translation are required to obtain matching surface displacements. With these numerical and mathematical issues resolved, we obtain excellent quantitative agreements among codes in earthquake interevent times, event moments, and coseismic slip, with reasonable agreements made in peak slip rates and rupture arrival time. We find that including full inertial effects generates events with larger slip rates and rupture speeds compared to the quasi-dynamic counterpart. For BP3-QD, both dip angle and sense of motion (thrust versus normal faulting) alter ground motion on the hanging and foot walls, and influence event patterns, with some sequences exhibiting similar-size characteristic earthquakes, and others exhibiting different-size events. These findings underscore the importance of considering full elastodynamics and nonvertical dip angles in SEAS models, as both influence short- and long-term earthquake behavior and are relevant to seismic hazard.

Geochemistry & Geophysics↗