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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Viscoelastic/damage modeling of filament-wound spherical pressure vessels

A model of the viscoelastic/damage response of a filament-wound spherical vessel used for long-term pressure containment is developed. The matrix material of the composite system is assumed to be linearly viscoelastic. Internal accumulated damage based upon a quadratic relationship between transverse modulus and maximum circumferential strain is postulated. The resulting nonlinear problem is solved by an iterative routine. The elastic-viscoelastic correspondence is employed to produce, in the Laplace domain, the associated elastic solution for the maximum circumferential strain which is inverted by the method of collocation to yield the time-dependent solution. Results obtained with the model are compared to experimental observations.

Hackett, Robert M.↗
DOE OSTI2025

Microstructure Scale Lithium-Ion Battery Modeling: Part III. When and Where Lithium Plating Occurs and its Correlation with the Electrode Microstructure

Li-ion battery performance and degradation are closely related to the cell’s underlying electrode microstructure. Electrode microstructures are typically characterized with volume-averaged properties that neglect the impact of local heterogeneities. However, local heterogeneities create hot spots that can trigger degradation onset. Herein, a microstructure scale electrochemical model is used to investigate the impact of microstructure heterogeneity on lithium plating. The model predicts lithium plating is not uniform, even when considering a relatively small portion of the electrode (a cross-sectional area of 154×144 µm 2 ), preferring to plate on larger particles as compared to smaller particles. While local heterogeneities control where plating occurs, the model predicts that volume-averaged properties control when plating occurs. Additionally, the model predicts that the active material specific surface area has a linear relationship with the plating onset. However, the linear relationship between increased active material surface area and delayed plating response appears to be sensitive to the microstructure feature used to increase the active interface area. Here, a comparative case-study is explored where the specific surface area is increased by either reducing the active material particle diameter, adding open-porosity cracks, or increasing the active material surface roughness. The model predicts that increasing the specific surface area by reducing the active material particle diameter is the most effective strategy for delaying lithium plating. At 6C, reducing particle size is shown to be 3 and 20 times more effective than, respectively, adding open-porosity cracks and increasing surface roughness. A dual-layer electrode architecture combining gradations both for average properties and uniformities is eventually proposed to improve homogeneous material utilization and reduce degradation at high charge rates.

25 ENERGY STORAGE↗
DOE OSTI2024

Report on DIC Cyclic Dryout Testing of ATF Cladding Materials

Boiling water reactors can experience anticipated operational occurrences, where an expected deviation from normal operating conditions is witnessed for short time scales. One example of such transients arises from cladding dryout, where stable boiling becomes unstable, resulting in cladding heat up before re-wetting occurs. To understand the impact of such transients on fuel cladding lifetime and performance, cyclic dryout conditions were imposed upon fresh fuel cladding in the absence of irradiation. Pressurized cladding tube segments were exposed to rapid temperature increases to intermediate temperatures below a cladding rupture threshold and deformation was monitored in situ via 3-D digital image correlation. The impact of cycle frequency on cladding deformation was assessed. A clear understanding of elastic and plastic strain responses were developed for Zr alloy deformation under temperature transients, and these results can be used to support material model development and validate fuel performance codes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

In-Situ Sensing and Dynamics Predictions for Electrothermally-Actuated Soft Robot Limbs

Untethered soft robots that locomote using electrothermally-responsive materials like shape memory alloy (SMA) face challenging design constraints for sensing actuator states. At the same time, modeling of actuator behaviors faces steep challenges, even with available sensor data, due to complex electrical-thermal-mechanical interactions and hysteresis. This article proposes a framework for in-situ sensing and dynamics modeling of actuator states, particularly temperature of SMA wires, which is used to predict robot motions. A planar soft limb is developed, actuated by a pair of SMA coils, that includes compact and robust sensors for temperature and angular deflection. Data from these sensors are used to train a neural network-based on the long short-term memory (LSTM) architecture to model both unidirectional (single SMA) and bidirectional (both SMAs) motion. Predictions from the model demonstrate that data from the temperature sensor, combined with control inputs, allow for dynamics predictions over extraordinarily long open-loop timescales (10 min) with little drift. Prediction errors are on the order of the soft deflection sensor’s accuracy. This architecture allows for compact designs of electrothermally-actuated soft robots that include sensing sufficient for motion predictions, helping to bring these robots into practical application.

Sabelhaus, Andrew P.↗
NASA NTRS1987

Characterization and modelling of open tube diffused n+p bulk InP solar cells

The authors describe the photovoltaic characteristics of an n+p junction solar cell fabricated on bulk InP by an open-tube-diffusion technique. Analysis of the forward characteristics shows that the forward current is dominated by recombination in the quasineutral regions, indicating that the fabrication technique produces a clean junction. Spectral response measurements are analyzed and more realistic boundary conditions are used to model the solar cell to determine important material and device parameters.

Bothra, S.↗
NASA NTRS1999

Variable Complexity Optimization of Composite Structures

The use of several levels of modeling in design has been dubbed variable complexity modeling. The work under the grant focused on developing variable complexity modeling strategies with emphasis on response surface techniques. Applications included design of plates with discontinuities subject to uncertainty in material properties and geometry, design of stiffened composite plates for improved damage tolerance, and the use of response surfaces for fitting weights obtained by structural optimization.

Haftka, Raphael T.↗
DOE OSTI2020

Effect of directed aging on nonlinear elasticity and memory formation in a material

Disordered solids often change their elastic response as they slowly age. Using experiments and simulations, we study how aging disordered planar networks under an applied stress affects their nonlinear elastic response. We are able to modify dramatically the elastic properties of our systems in the nonlinear regime. Using simulations, we study two models for the microscopic evolution of properties of such a material; the first considers changes in the material strength, while the second considers distortions in the microscopic geometry. Both models capture different aspects of the experiments including the encoding of memories of the aging history of the system and the dramatic effects on the material’s nonlinear elastic properties. Our results demonstrate how aging can be used to create complex elastic behavior in the nonlinear regime.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Extension of SCALE/Sampler’s sensitivity index for the assessment of cross section, fission yield, and decay data uncertainties

Accurate prediction of nuclide compositions and neutron and gamma sources and spectra for fresh and spent nuclear fuel through computational modeling and simulations is the basis for safeguards instruments design, optimization, and calibration, and for validation of the measured responses. The accuracy of these simulations can be significantly impacted by uncertainties in input parameters to the applied computer code. Input parameters are, for example, dimensions, material compositions, and temperatures of the model. Additionally, important but sometimes neglected input parameters for simulations of nuclear systems are the nuclear data that include nuclear reaction cross sections, fission product yields, and decay data. It has been shown that uncertainties of calculated results are dominated by uncertainties of these nuclear data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2017

Arc Jet Test and Analysis of Asbestos Free Solid Rocket Motor Nozzle Dome Ablative Materials

Asbestos free solid motor internal insulation samples were recently tested at the MSFC Hyperthermal Arc Jet Facility. Objectives of the test were to gather data for solid rocket motor analog characterization of ablative and in-depth thermal performance of rubber materials subject to high enthalpy/pressure flow conditions. Tests were conducted over a range of convective heat fluxes for both inert and chemically reactive sub-sonic free stream gas flow. Active instrumentation included use of total calorimeters, in-depth thermocouples, and a surface pyrometer for in-situ surface temperature measurement. Post-test sample forensics involved determination of eroded depth, charred depth, total sample weight loss, and documentation of the general condition of the eroded profile. A complete Charring Material Ablator (CMA) style aero thermal analysis was conducted for the test matrix and results compared to the measured data. In general, comparisons were possible for a number of the cases and the results show a limited predictive ability to model accurately both the ablative response and the in-depth temperature profiles. Lessons learned and modeling recommendations are made regarding future testing and modeling improvements that will increase understanding of the basic chemistry/physics associated with the complicated material ablation process of rubber materials.

Clayton, J. Louie↗
NASA NTRS1994

Modeling of delamination damage evolution in laminated composites subjected to low velocity impact

This study examines the delamination evolution, under quasi-static conditions, of laminated polymeric composites with mechanically nonlinear resin rich interfaces. The constitutive behavior of the interface is represented by two models developed by Needleman and Tvegaard. These models assumed that the interfacial tractions, a function of only the interfacial displacement, will behave similarly to the interatomic forces generated during the interatomic seperation. The interface material's parameters control the load at which the delamination growth initiates and the final delamination size. A wide range of damage accumulation responses have been obtained by varying the model parameters. These results show that Tvergaard's model has been found to be better suited of the two models in predicting damage evolution for the configurations examined.

Lo, David C.↗
NASA NTRS2017

Test and Analysis of Solid Rocket Motor Nozzle Ablative Materials

Asbestos free solid motor internal insulation samples were tested at the MSFC Hyperthermal Facility. Objectives of the test were to gather data for analog characterization of ablative and in-depth thermal performance of rubber materials subject to high enthalpy/pressure flow conditions. Tests were conducted over a range of convective heat fluxes for both inert and chemically reactive sub-sonic free stream gas flow. Instrumentation included use of total calorimeters, thermocouples, and a surface pyrometer for surface temperature measurement. Post-test sample forensics involved measurement of eroded depth, charred depth, total sample weight loss, and documentation of the general condition of the eroded profile. A complete Charring Material Ablator (CMA) style aero-thermal analysis was conducted for the test matrix and results compared to the measured data. In general, comparisons were possible for a number of the cases and the results show a limited predictive ability to model accurately both the ablative response and the in-depth temperature profiles. Lessons learned and modeling recommendations are made regarding future testing and modeling improvements that will increase understanding of the basic chemistry/physics associated with the complicated material ablation process of rubber materials.

Clayton, J. Louie↗
NASA NTRS1989

A review of some problems in global-local stress analysis

The various types of local-global finite-element problems point out the need to develop a new generation of software. First, this new software needs to have a complete analysis capability, encompassing linear and nonlinear analysis of 1-, 2-, and 3-dimensional finite-element models, as well as mixed dimensional models. The software must be capable of treating static and dynamic (vibration and transient response) problems, including the stability effects of initial stress, and the software should be able to treat both elastic and elasto-plastic materials. The software should carry a set of optional diagnostics to assist the program user during model generation in order to help avoid obvious structural modeling errors. In addition, the program software should be well documented so the user has a complete technical reference for each type of element contained in the program library, including information on such topics as the type of numerical integration, use of underintegration, and inclusion of incompatible modes, etc. Some packaged information should also be available to assist the user in building mixed-dimensional models. An important advancement in finite-element software should be in the development of program modularity, so that the user can select from a menu various basic operations in matrix structural analysis.

Nelson, Richard B.↗
NASA NTRS2011

On Calculation Methods and Results for Straight Cylindrical Roller Bearing Deflection, Stiffness, and Stress

The purpose of this study was to assess some calculation methods for quantifying the relationships of bearing geometry, material properties, load, deflection, stiffness, and stress. The scope of the work was limited to two-dimensional modeling of straight cylindrical roller bearings. Preparations for studies of dynamic response of bearings with damaged surfaces motivated this work. Studies were selected to exercise and build confidence in the numerical tools. Three calculation methods were used in this work. Two of the methods were numerical solutions of the Hertz contact approach. The third method used was a combined finite element surface integral method. Example calculations were done for a single roller loaded between an inner and outer raceway for code verification. Next, a bearing with 13 rollers and all-steel construction was used as an example to do additional code verification, including an assessment of the leading order of accuracy of the finite element and surface integral method. Results from that study show that the method is at least first-order accurate. Those results also show that the contact grid refinement has a more significant influence on precision as compared to the finite element grid refinement. To explore the influence of material properties, the 13-roller bearing was modeled as made from Nitinol 60, a material with very different properties from steel and showing some potential for bearing applications. The codes were exercised to compare contact areas and stress levels for steel and Nitinol 60 bearings operating at equivalent power density. As a step toward modeling the dynamic response of bearings having surface damage, static analyses were completed to simulate a bearing with a spall or similar damage.

Krantz, Timothy L.↗
DOE OSTI2024

Multiscale and Machine Learning Modeling for Process-informed Microstructure Prediction in Additively Manufactured Materials Using MALAMUTE

Advanced Materials and Manufacturing Technologies (AMMT) program under the Department of Energy Office of Nuclear Energy, aims to develop and qualify additively-manufactured materials for nuclear applications. The key challenges to these efforts are the microstructural variabilities observed on the AM products and their impact on the properties and performance of the material in extreme environments. AMMT is using a combination of high-through-put experimental and modeling techniques to accelerate the qualification efforts. Conventionally, in-situ and ex-situ characterizations and testing are performed to correlate different aspects of the AM process to the final product and its performance. However, adopting a trial-and-error approach to experimentally evaluate the vast range of process parameters required to capture the microstructural variabilities is cost-prohibitive. Modeling and simulation provide a comparatively inexpensive way to understand and correlate the microstructural evolution to the processing conditions. The modeling and simulation work-packages within the AMMT program aims to use physics-based and machine learning modeling capabilities to develop a digital twin for AM that can correlate the process conditions to the final product and establish a process-structure-property-performance (PSPP) correlation for AM materials. The melting and subsequent solidification that occurs during the AM process is a complex phenomenon that requires multiscale multiphysics analysis. Idaho National Laboratory’s (INL) Multiphysics Object-Oriented Simulation Environment (MOOSE), specifically the MOOSE Application Library for Advanced Manufacturing UTilitiEs (MALAMUTE) software, provides an ideal platform for developing the multiphysics multiscale model to explore the intricacies of the microstructural evolution during the AM processes within a single framework. Furthermore, given that such full-fidelity simulations can be computationally intensive, reduced order models are necessary to explore the PSPP space for AM materials in an efficient, reliable, and cost-effective way. This work package focuses on understanding the role of process variabilities on the various microstructural characteristics of the AM materials. Microstructures unique to AM materials, such as compositional micro-heterogeneity and dislocation cells, are of particular interest here since they can influence the creep properties and radiation performance. In fiscal year (FY) 24, we significantly advanced upon our work in the last fiscal year, both on physics-based and ML models. The alloy solidification model available in MOOSE has been extended to incorporate the thermodynamic properties and free energy relevant to 316SS. The model demonstrates the Cr segregation that occurs during solidifcation. It is demonstrated that rate of solidification and solute segregation is primarily influence by the cooling rate dictating the level of freezing. This work captures the microstructural variabilities at the subgrain level that are often missing in the part-scale models. With an aim to connect the microstructural evolution model to realistic process conditions, a reduced order model is developed for predicting the thermal conditions around meltpool from high-fidelity process simulations. Furthermore, machine learning approach is used to accelerate the temperature prediction during the AM process. In the following years, MALAMUTE will be used to connect different aspects of the models and quantitatively predict the microstructural evolution. The developed ML-based surrogate model will consider the process conditions as the input to predict the microstructural features in a cost-effective way. The generated microstructures can be used by other work packages under AMMT to evaluate the properties and environmental response of the material at the mesoscale. Thus, this work help identify the key microstructural features at the subgrain level that are significant in property/performance prediction of the AM products. This work will provide inputs to the large-scale process variability models to reevaluate and validate assumptions/simplifications made in the part-scale models. Furthermore, through active learning this work will help identify the data need from both modeling and experimental sides for development of a robust digital twin for AM.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Activation Analysis for the Inboard Region of FNSF Using SERPENT

This study describes an application of the SERPENT 2 code with the TENDL-2017 nuclear data library and the latest available model features of the Fusion Energy System Studies–Fusion Nuclear Science Facility (FNSF), to evaluate the activation of components after shutdown at 1, 10, and 100 years, assuming a plant lifetime of 8.5 full-power years. The primary parameters evaluated include the specific activity, decay heat, and waste disposal rating (WDR). The specific activity and decay heat are calculated with SERPENT 2 using a 360-deg model of the FNSF, while the WDR is calculated and classified based on the waste disposal limits established by the U.S. Nuclear Regulatory Commission under 10 CFR 61.55 as well as by using the Fetter approach. A python-based script developed for a previous high-level waste classification and analysis study was implemented and adapted to this research to calculate the WDR by comparing nuclide concentrations to the values established in 10 CFR 61.55 to generate a waste classification for each component surveyed. As only three short-lived isotopes have limitations for classifications beyond Class A, of which only 63Ni is present in appreciable quantities, there is a limit to the amount that short-lived isotopes contribute to the most significant waste analyzed here. In most cases, a handful of long-lived isotopes can be problematic, such as 59Ni and 94Nb, for example, which are solely responsible for multiple Class C classifications. The results herein reported heavily depend on the specific materials and mass/volume fractions in the specific model used in this study, which has changed and evolved since the inception of the FNSF concept and past studies. Furthermore, the more significant contributions of this study may be the development of a modeling and simulation toolkit and a strategy to perform these calculations, so to help evaluate and optimize future fusion facilities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Response of Sulfonated Polystyrene Melts to Nonlinear Elongation Flows

Ionizable polymers form dynamic networks with domains controlled by two distinct energy scales, ionic interactions and van der Waals forces; both evolve under elongational flows during their processing into viable materials. A molecular level insight of their nonlinear response, paramount to controlling their structure, is attained by fully atomistic molecular dynamics simulations of a model ionizable polymer, polystyrene sulfonate. As a function of increasing elongational flow rate, the systems display an initial elastic response, followed by an ionic fraction-dependent strain hardening, stress overshoot, and eventually strain-thinning. As the sulfonation fraction increases, the chain elongation becomes more heterogeneous. Finally, flow-driven ionic assembly dynamics that continuously break and reform control the response of the system.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The energy saving potential of thermo-responsive desiccants for air dehumidification

The desiccant wheel is a promising technology for energy-efficient humidity control. However, its overall efficiency—hindered by the desiccant materials’ properties—remains low because traditional desiccants (e.g., silica gels) have a single isotherm regardless of their adsorption temperature. Thermo-responsive materials have been proposed to break this fixed affinity to water vapor, with drastically different adsorption isotherms depending on temperature. Its potential for improving dehumidification efficiency, however, has not been addressed. In this paper, we model the potential of a thermo-responsive interpenetrating polymer network (IPN) desiccant with temperature-dependent adsorption isotherms for energy-efficient dehumidification via a validated transient desiccant wheel model for humidity control of buildings. Thermo-responsive desiccants can improve the dehumidification performance due to their thermo-responsive switchable hydrophilicity below/above the lower critical solution temperature. Our analysis shows that thermo-responsive IPN desiccants can potentially reduce energy consumption by up to 30% compared to silica gels. Finally, the savings depend strongly on the critical temperature of the thermo-responsive desiccant and should be higher when the inlet temperatures are expected to be higher.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗