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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 19 records

Computational materials reliability assessment of hydrogen fueled gas turbine power generation engines

The use of blended fuel sources in land based gas turbine engines drives variations in the resulting operational profile (temperatures and pressures) which can impact engine reliability. Furthermore, variability in the manufacture of components affects the resulting microstructure which directly impacts material performance and reliability. Currently, data-driven models are typically used for maintaining and inspecting fleets of engines. Without explicitly capturing material and operational sources of variability conservatism must be used in developing component-level reliability models. Therefore, there exists an opportunity to use information from materials-scale physics models to better inform reliability modeling and reduce conservatism; the impact is more cost-efficient operation and maintenance of current and future fleets. Specifically, this work establishes a computational framework for evaluating the probabilistic high temperature creep performance of hot-section Ni-based superalloys where uncertainty comes from both microstructural and operational variability. A novel high-fidelity physics model which phenomenologically captures grain-boundary sensitive phenomena has been established. A probabilistic calibration procedure was used to calibrate the model and capture uncertainty in the parameterized model coefficients. A design of experiments methodology was established for identifying informative microstructural digital representations for suitable for forward model evaluation. Results show that training a machine-learning surrogate using this design criteria outperforms random selection of microstructural representations. Finally, two surrogate models were developed: (1) a deterministic surrogate model which predicts the local field response given microstructure, constitutive model parameters, and operating conditions (stress, temperature) and (2) a probabilistic model, where uncertainty comes from constitutive law uncertainty, built using denoising diffusion probabilistic models which samples responses given (1) microstructure and (2) operating conditions. These surrogate models enable partner Siemens Energy to rapidly perform UQ analysis specific to creep deformation across a range of microstructures and operating conditions. The impact is that these ML and physics codes can be used to establish more advanced reliability models for the inspection, servicing, and maintenance of land based gas turbine engines.

36 MATERIALS SCIENCE↗

Dispenser Reliability: Materials R&D. A Hydrogen Fueling Infrastructure Research and Station Technology (H2FIRST) Report

Dispensers are the top cause of maintenance events and down-time at hydrogen fueling stations. In an effort to help characterize and enable improvements in dispenser reliability, an extensive accelerated lifetime testing set-up was designed and built at NREL involving components typically part of dispensing operations at fueling stations. Device Under Test (DUTs) included different components such as normally open valves, normally closed valves, fueling nozzles, breakaways devices and filters. Conditions of testing included pressures, and flow rates similar to light duty fuel cell electric vehicles fueling at -40°C, and -20°C for thousands of cycles in hydrogen. Tested components (failed and non-failed) were disassembled at SNL and polymeric O-rings were carefully retrieved and cataloged for chemical and physical characterization. Data collected was compared to similar O-rings from unexposed or non-tested components for hydrogen effects, and failure modes. Degradation analyses, based on select polymer chemistries common across all component types, their location within components, visual assessment of damage coupled with strong hydrogen effects from chemical characterization, was completed and presented to NREL and DOE. Overall, the failure rate amongst the components was not as high as expected for the test conditions. Among the component types tested, breakaways were the most susceptible to damage under these test conditions, with fueling nozzles a close second. The proper combination of selection of the right polymer and optimum component design was found to make a strong difference in component reliability under severe dispenser operating conditions. Physical degradation of polymers, rather than chemical changes due to low temperature hydrogen exposure, is more prevalent as failure mode for these test conditions. The nature and the extent of the degradation was much less at -20°C as compared to -40°C. The damage and failure rates were higher at lower temperatures than at higher test temperatures. As expected, increasing the number of cycles at the lowest test temperature (-40°C) increased damage. This indicates that cycling at the low temperature of -40°C required by SAE J2601 can reduce component life in fuel dispensing operations

08 HYDROGEN↗

Coupling Microstructural Evolution Simulations to Material Property Degradation Predictions for Plasma-Facing Materials

Reliable material performance is required for plasma-facing material (PFM) candidates. Previous research has shown that plasma and neutron radiation exposure induces microstructural changes in PFMs; changes in thermal and electrical conductivities and in material hardening and embrittlement were also observed after neutron irradiation. These material property changes will negatively impact the performance of the PFMs in a fusion reactor. Despite the well-known connection between material microstructure, properties, and performance, there is a need for validated modeling capabilities connecting PFM property degradation with microstructural evolution under fusion-relevant conditions. We are developing a simulation capability to couple plasma-induced microstructural evolution to material property degradation. Our approach relies on deliberate mapping between individual simulation models and experimental characterization for validation. The open-source Multiphysics Object-Oriented Simulation Environment (MOOSE) software was used for this simulation capability development. A MOOSE phase-field model was coupled with the cluster dynamics code, Xolotl, to predict microstructural evolution. Microstructure characterization techniques, including scanning electron microscopy (SEM), transmission electron microscopy (TEM), and laser scanning confocal microscopy (LSCM) are used to validate these microstructural evolution simulations. Calculation of thermal and electrical conductivities with first principles simulations was performed for bulk material and for grain boundaries; these results are used within MOOSE models to calculate effective thermal and electrical conductivities as a function of grain characteristics. Thermoreflectance and four-probe techniques were employed to measure the thermal and electrical conductivities, respectively. A MOOSE crystal plasticity model was adapted to predict microstructure-sensitive deformation behavior, and X-ray diffraction (XRD) was used to collect bulk dislocation density data for validation. After individual simulation validation, these models are coupled to predict material property changes resulting from plasma exposure. We focused here on an experimental design to emphasize the separate effects of moderate thermal loads and plasma exposure using tungsten. Annealing of tungsten was performed under a protective environment for temperatures ranging from 500 C to 1500 C. The plasma exposure was completed in the Tritium Plasma Experiment at Idaho National Laboratory under a deuterium flux of 1e22 D/m^2-s. This incremental approach is employed to build confidence in the modeling capability: separate-effects tests ensure that the models capture key mechanisms from single environmental conditions before predicting PFM property degradation under combined loads. We will show our early results from coupling these simulation models to predict PFM property changes from microstructural evolution. Comparisons of the simulation results with preliminary validation data will be discussed.

36 - MATERIALS SCIENCE↗

Optimal experimental designs for the estimation of thermal properties of composite materials

Reliable estimation of thermal properties is extremely important in the utilization of new advanced materials, such as composite materials. The accuracy of these estimates can be increased if the experiments are designed carefully. The objectives of this study are to design optimal experiments to be used in the prediction of these thermal properties and to then utilize these designs in the development of an estimation procedure to determine the effective thermal properties (thermal conductivity and volumetric heat capacity). The experiments were optimized by choosing experimental parameters that maximize the temperature derivatives with respect to all of the unknown thermal properties. This procedure has the effect of minimizing the confidence intervals of the resulting thermal property estimates. Both one-dimensional and two-dimensional experimental designs were optimized. A heat flux boundary condition is required in both analyses for the simultaneous estimation of the thermal properties. For the one-dimensional experiment, the parameters optimized were the heating time of the applied heat flux, the temperature sensor location, and the experimental time. In addition to these parameters, the optimal location of the heat flux was also determined for the two-dimensional experiments. Utilizing the optimal one-dimensional experiment, the effective thermal conductivity perpendicular to the fibers and the effective volumetric heat capacity were then estimated for an IM7-Bismaleimide composite material. The estimation procedure used is based on the minimization of a least squares function which incorporates both calculated and measured temperatures and allows for the parameters to be estimated simultaneously.

Scott, Elaine P.↗

Performance evaluation of neutron noise analysis in detecting special nuclear materials

Reliable and rapid inspection techniques play a vital role in preventing illicit trafficking of special nuclear materials. Active interrogation systems using neutrons produced by portable, high-flux deuterium-deuterium or deuterium-tritium neutron generators are being actively developed as a secondary scanning tool for this purpose. In this study, a neutron noise analysis-based approach for detecting unshielded and shielded special nuclear materials by using a pulsed deuterium-tritium neutron generator was evaluated. Here, this approach analyzes the fluctuation of neutron counts. Its performance was quantified with regard to time-to-detection to achieve a minimum probability of detection of 99% and a probability of false alarm of less than 1% considering various amounts of special nuclear materials and different shielding configurations. It was demonstrated that this approach could detect 17 uranium slugs in 5 s given a neutron generator yield of 8.1 × 10 7 n/s. These slugs could be detected within a reasonable time frame (200 s) when they were shielded by 10.16 cm of high-density polyethylene. The results obtained using the neutron noise analysis approach were compared with those obtained using the commonly used differential die-away analysis technique, a sensitive technique for detecting the presence of fissile materials by utilizing the prompt fission neutrons produced when the source neutrons from a neutron generator are completely diminished. For example, the time to detect 2 unshielded uranium slugs was 2.1 s when using the differential die-away analysis technique; it increased to 93 s for the neutron noise analysis approach. Although the noise analysis-based approach exhibits an overall performance which is not as good as that of differential die-away, neutron noise provides an alternative method for effective detection of special nuclear materials.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Nitrogen doping–enabled low-temperature capacitance retention in carbon materials

Reliable energy storage at subzero temperatures is crucial for polar and space applications. Nitrogen-doped multiscale porous carbon aerogels deliver 96% capacitance retention at −40 °C and 1.43 Wh L −1 energy density. In conclusion, enhanced nitrogen content and enlarged ion-accessible surface synergistically enable exceptional low-temperature supercapacitor performance.

Materials science↗

Reliability of Materials and Components for Solid Oxide Fuel Cells

Planar stack solid-oxide fuel cells (SOFCs) require seals that must operate reliably under demanding conditions for lifetimes of 40000 hours. This includes temperature fluctuations between 800°C and RT during on and off cycles, thermal stresses, oxidizing environments and chemical degradation to name a few. This comprehensive report provides results from long term testing of two commercially available multicomponent barium alkali silicate glasses: SCN and G6, chosen as sealing candidates. In this scope, the glass seals were deposited on YSZ and Al 2 O 3 substrates simulating electrolytes (Zrbased) and coatings (both zirconia and Al 2 O 3 ). The seal-substrate couples were subjected to 800°C under air and steam+H 2 +N 2 environments up to 40000 hours to test their integrity under real operating conditions. Extensive studies on the effects of exposure have been conducted over the span of testing at various time intervals. Within the context of characterization, mechanical properties such as density, roughness, thermal expansion and glass transition, viscosity and wettability behavior; and microstructural properties such as glass chemistries, defect formation (cracks and pores), phase transformations (devitrification) and glass-interface reactions are investigated. Results and discussions are provided with a focus on the degradation of the properties over long term interrupted testing.

30 DIRECT ENERGY CONVERSION↗

Fundamental Studies of Soiling and Cementation of PV Cover Glass Materials: Addressing Reliability with Advanced X-ray Scattering/Spectroscopy and First Principles Modeling (Final Technical Report)

Accumulation of soils and other particulate matter on the front cover glass of solar photovoltaic (PV) modules results in transmission losses that detrimentally affect the power output of PV installations. The conventional solution to this problem is manual abrasive scrubbing of modules, which entails significant water usage and manpower. To further combat this issue, there is a concerted effort within the PV industry to develop anti-soiling (AS) coatings to mitigate power losses due to soiling of PV modules, which can exceed 35% in some cases. However, relatively little is known about the fundamental physical and chemical mechanisms that enable anti-soiling behavior. In this project, a combination of advanced X-ray analysis tools and first principles computational modeling has employed to understand the physical and chemical interactions between environmental soils and PV cover glass materials. The specific objectives were: 1) investigate soiling interactions and cementation behavior of relevant PV materials, including bare glass, conventional antireflective (AR) coatings, and a commercial AS coating, using a library of representative particulate soils, and 2) utilize first principles computational spectroscopy modeling to interpret the experimental X-ray spectroscopy measurements and determine the detailed surface chemistry changes that occur on these surfaces in the presence of soiling and cementation.

14 SOLAR ENERGY↗

Stress Intensity Thresholds for Development of Reliable Brittle Materials

Brittle material failure in high consequence systems can appear random and unpredictable at subcritical stresses. Gaps in our understanding of how structural flaws and environmental factors (humidity, temperature) impact fracture propagation need to be addressed to circumvent this issue. A combined experimental and computational approach composed of molecular dynamics (MD) simulations, numerical modeling, and atomic force microscopy (AFM) has been undertaken to identify mechanisms of slow crack growth in silicate glasses. AFM characterization of crack growth as slow as 10 -13 m/s was observed, with some stepwise crack growth. MD simulations have identified the critical role of inelastic relaxation in crack propagation, including evolution of the structure during relaxation. A numerical model for the existence of a stress intensity threshold, a stress intensity below which a fracture will not propagate, was developed. This transferrable model for predicting slow crack growth is being incorporated into mission-based programs.

36 MATERIALS SCIENCE↗

Thermal Protection Materials

Thermal protection materials and systems (TPS) are required to protect a vehicle returning from space or entering an atmosphere. The selection of the material depends on the heat flux, heat load, pressure, and shear and other mechanical loads imposed on the material, which are in turn determined by the vehicle configuration and size, location on the vehicle, speed, a trajectory, and the atmosphere. In all cases the goal is to use a material that is both reliable and efficient for the application. Reliable materials are well understood and have sufficient test data under the appropriate conditions to provide confidence in their performance. Efficiency relates to the behavior of a material under the specific conditions that it encounters TPS that performs very well at high heat fluxes may not be efficient at lower heat fluxes. Mass of the TPS is a critical element of efficiency. This talk will review the major classes of TPS, reusable or insulating materials and ablators. Ultra high temperature ceramics for sharp leading edges will also be reviewed. The talk will focus on the properties and behavior of these materials.

Johnson, Sylvia M.↗

Reliability-based failure analysis of brittle materials

The reliability of brittle materials under a generalized state of stress is analyzed using the Batdorf model. The model is modified to include the reduction in shear due to the effect of the compressive stress on the microscopic crack faces. The combined effect of both surface and volume flaws is included. Due to the nature of fracture of brittle materials under compressive loading, the component is modeled as a series system in order to establish bounds on the probability of failure. A computer program was written to determine the probability of failure employing data from a finite element analysis. The analysis showed that for tensile loading a single crack will be the cause of total failure but under compressive loading a series of microscopic cracks must join together to form a dominant crack.

Powers, Lynn M.↗

Implementation of disruptive designs for gas turbine components using direct energy deposition additive manufacturing

This research aims to develop a framework for establishing the correlation between in-situ monitoring data, process parameters, and microstructure evolution in blown-powder laser-directed energy deposition (DED) additive manufacturing (AM). To achieve this, a comprehensive manufacturing framework has been developed, spanning from in-situ data acquisition, melt-pool simulation, microstructure modeling, and statistical microstructure quantification. A machine learning-based surrogate model is constructed to predict melt pool geometry directly from in-situ coaxial camera data. The surrogate model is trained using outputs from a high-fidelity melt pool simulation, which provides accurate melt pool dimension data under varying process conditions. The predicted melt pool geometry is then used as input to a microstructure model to predict microstructural features. To rigorously compare and analyze microstructures, the project introduces statistical metrics that quantify differences based on key features such as morphology and texture. Microstructures are represented using advanced statistical descriptors including angular chord length distribution, two-point spatial statistics, orientation distribution function, and global spherical harmonic. These representations are used to compute four distinct “dissimilarity scores” that quantitatively capture differences in texture and morphology. This framework is demonstrated to enable automated calibration of simulation parameters by minimizing discrepancies between simulated and target microstructures. The technology developed in this project enables direct correlation between in-situ monitoring data and resulting microstructure, paving the way for adaptive microstructure control in metal AM. This capability strengthens the connection between process parameters and final material properties, facilitating more precise and reliable material design.

36 MATERIALS SCIENCE↗

Material interactions with the Low Earth Orbital (LEO) environment: Accurate reaction rate measurements

To resolve uncertainties in estimated LEO atomic oxygen fluence and provide reaction product composition data for comparison to data obtained in ground-based simulation laboratories, a flight experiment has been proposed for the space shuttle which utilizes an ion-neutral mass spectrometer to obtain in-situ ambient density measurements and identify reaction products from modeled polymers exposed to the atomic oxygen environment. An overview of this experiment is presented and the methodology of calibrating the flight mass spectrometer in a neutral beam facility prior to its use on the space shuttle is established. The experiment, designated EOIM-3 (Evaluation of Oxygen Interactions with Materials, third series), will provide a reliable materials interaction data base for future spacecraft design and will furnish insight into the basic chemical mechanisms leading to atomic oxygen interactions with surfaces.

Visentine, James T.↗

Interconnect: Cooperative Research and Development Final Report, CRADA Number CRD-13-00507 (Project 4)

This CRADA modification involves analyses on a variety of CdTe-PV related materials, test structures, solar cells, and modules produced at FSLR and/or NLR and adds analysis related to module degradation and reliability. Materials will be provided by FSLR, NLR, and/or by interleaving FSLR and NLR layers and processes. Module reliability activities will include technical risk assessment, materials characterization, module and test structure characterization, modeling, accelerated test development, and outdoor testing.

14 SOLAR ENERGY↗

Computing Reliabilities Of Ceramic Components Subject To Fracture

CARES calculates fast-fracture reliability or failure probability of macroscopically isotropic ceramic components. Program uses results from commercial structural-analysis program (MSC/NASTRAN or ANSYS) to evaluate reliability of component in presence of inherent surface- and/or volume-type flaws. Computes measure of reliability by use of finite-element mathematical model applicable to multiple materials in sense model made function of statistical characterizations of many ceramic materials. Reliability analysis uses element stress, temperature, area, and volume outputs, obtained from two-dimensional shell and three-dimensional solid isoparametric or axisymmetric finite elements. Written in FORTRAN 77.

Nemeth, N. N.↗