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NASA NTRS1986

A Constitutive Model for the Inelastic Multiaxial Cyclic Response of a Nickel Base Superalloy Rene 80

The objective was to develop unified constitutive equations which can model a variety of nonlinear material phenomena observed in Rene 80 at elevated temperatures. A constitutive model was developed based on back stress and drag stress. The tensorial back stress was used to model directional effects; whereas, the scalar drag stress was used to model isotropic effects and cyclic hardening or softening. A flow equation and evolution equations for the state variables were developed in multiaxial form. Procedures were developed to generate the material parameters. The model predicted very well the monotonic tensile, cyclic, creep, and stress relaxation behavior of Rene 80 at 982 C. The model was then extended to 871, 760, and 538 C. It was shown that strain rate dependent behavior at high temperatures and strain rate independent behavior at the lower temperatures could be predicted very well. A large number of monotonic tensile, creep, stress relation, and cyclic experiments were predicted. The multiaxial capabilities of the model were verified extensively for combined tension/torsion experiments. The prediction of the model agreed very well for proportional, nonproportional, and pure shear cyclic loading conditions at 982 and 871 C.

Ramaswamy, V. G.↗

DOE OSTI2020

Structure of chalcogen overlayers on Au(111): Density functional theory and lattice-gas modeling

Ordering of different chalcogens, S, Se, and Te, on Au(111) exhibit broad similarities but also some distinct features, which must reflect subtle differences in relative values of the long-range pair and many-body lateral interactions between adatoms. We develop lattice-gas (LG) models within a cluster expansion framework, which includes about 50 interaction parameters. These LG models are developed based on density functional theory (DFT) analysis of the energetics of key adlayer configurations in combination with the Monte Carlo (MC) simulation of the LG models to identify statistically relevant adlayer motifs, i.e., model development is based entirely on theoretical considerations. The MC simulation guides additional DFT analysis and iterative model refinement. Given their complexity, development of optimal models is also aided by strategies from supervised machine learning. The model for S successfully captures ordering motifs over a broader range of coverage than achieved by previous models, and models for Se and Te capture the features of ordering, which are distinct from those for S. More specifically, the modeling for all three chalcogens successfully explains the linear adatom rows (also subtle differences between them) observed at low coverages of ~0.1 monolayer. The model for S also leads to a new possible explanation for the experimentally observed phase with a (5 × 5)-type low energy electron diffraction (LEED) pattern at 0.28 ML and to predictions for LEED patterns that would be observed with Se and Te at this coverage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1995

Thermal behavior spiral bevel gears

An experimental and analytical study of the thermal behavior of spiral bevel gears is presented. Experimental data were taken using thermocoupled test hardware and an infrared microscope. Many operational parameters were varied to investigate their effects on the thermal behavior. The data taken were also used to validate the boundary conditions applied to the analytical model. A finite element-based solution sequence was developed. The three-dimensional model was developed based on the manufacturing process for these gears. Contact between the meshing gears was found using tooth contact analysis to describe the location, curvatures, orientations, and surface velocities. This information was then used in a three-dimensional Hertzian contact analysis to predict contact ellipse size and maximum pressure. From these results, an estimate of the heat flux magnitude and the location on the finite element model was made. The finite element model used time-averaged boundary conditions to permit the solution to attain steady state in a computationally efficient manner.Then time- and position-varying boundary conditions were applied to the model to analyze the cyclic heating and cooling due to the gears meshing and transferring heat to the surroundings, respectively. The model was run in this mode until the temperature behavior stabilized. The transient flash temperature on the surface was therefore described. The analysis can be used to predict the overall expected thermal behavior of spiral bevel gears. The experimental and analytical results were compared for this study and also with a limited number of other studies. The experimental and analytical results attained in the current study were basically within 10% of each other for the cases compared. The experimental comparison was for bulk thermocouple locations and data taken with an infrared microscope. The results of a limited number of other studies were compared with those obtained herein and predicted the same basic behavior.

Handschuh, Robert F.↗

DOE OSTI2020

Use of an Alternative Conceptual Model of Vadose Zone Heterogeneity to Evaluate Past Tank Leaks and Other Unplanned Releases within a Tank Farm at the Hanford Site - 20061

Washington State Department of Ecology (Ecology) requested that U.S. Department of Energy (DOE)-Office of River Protection (ORP) consider an evaluation of effects of fine-grained thin sediment layers on transport with a separate alternative conceptual model in its evaluation of the potential impact of tank leaks and other unplanned releases within the tank farm at the Hanford Site. For this alternative model, Ecology recommended that the model be developed based on the general framework of fine-grained units identified by a stakeholder group in their interpretations of variability in moisture content data collected in the vicinity of Waste Management Area (WMA) C. In discussions with DOE-ORP, Ecology acknowledged that the underlying data and interpretations of the occurrence and lateral continuity of the fine-grained thin layers identified by a stakeholder group are uncertain. However, DOE-ORP agreed to Ecology's recommendation and has provided support for the requested evaluation that involved development of an alternative model based on the general framework of the unpublished report by the stakeholder. DOE-ORP considered this evaluation to be a hypothetical evaluation of vadose zone heterogeneities at WMA C. General observations from the range of simulation cases examined in the evaluation of the effects of hypothetical vadose zone heterogeneities at WMA C are as follows. - The movement of the center of mass of the simulated plumes was generally vertically downward below the source for all simulations, including those that incorporated the hypothetical fine-grained units. - All simulations that incorporated hypothetical heterogeneity produced additional plume spreading over what was produced in simulations using Equivalent Homogeneous Media (EHM) model(s)a. The spreading resulted in a broadening of the fringes of the plume, resulting in a wider region of low concentration, but lower peak concentrations associated with the center of mass of the plume. - Simulations that used the silty-sand hydraulic properties, suggested by Ecology for the hypothetical fine-grained units, generally produced similar spreading and slightly lower peak mass flux at the water table when compared to the EHM modeling results. a The EHM-based models used at WMA C do not explicitly include small-scale fine-grained heterogeneities used in the model advocated by Ecology. - Simulations that used the silty-sand hydraulic properties, suggested by Ecology for the hypothetical fine-grained units, generally produced less spreading and an earlier arrival of mass flux at the water table when compared to the use of another set of hydraulic properties from a silty-sand sample collected at a nearby disposal facility. - The EHM representation of the vadose zone generally produced higher peak mass flux and an earlier occurrence of peak fluxes at the water table compared to all analyses incorporating additional hypothetical heterogeneity. Results of this alternative model evaluation of past leaks provided some insight into the transport effects of vadose zone heterogeneities at WMA C that helped resolve Ecology's comments and issues related to the effects of vadose zone heterogeneities on past leaks and losses from the WMA C tank farms area. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Development of Numerical Model of Metal Foam with PCM for the Estimation of Effective Thermal Conductivity

Global warming due to climate change is a threat to humankind. Nuclear energy is one of the promising solutions to reduce fossil fuel usage. Nuclear energy can handle the base load, compensating for the volatility of renewable energy. If nuclear energy could achieve load following capability, the combination with renewable energy would be more suitable. Thermal energy storage (TES) is one of the options for enabling load following of nuclear reactors. The TES makes it possible to store surplus nuclear thermal energy and release it later as needed. In Idaho National Laboratory (INL), a new concept of latent heat TES integrated with high-temperature heat pipe has been proposed and is under development, which is called Heat pipe-Integrated Thermal Battery (HITB). HITB exchanges thermal energy between the reactor system and TES via heat pipe. The heat transferred to TES medium, made of phase change material (PCM), stores energy as sensible heat and/or latent heat. As PCM typically has poor thermal conductivity, however, various heat transfer enhancement techniques are required to achieve a rapid charging cycle. There are many techniques to enhance the heat transfer ability of TES medium such as disk, fin, and metal foam. Among them, metal foam is an appropriate option to enhance the heat transfer because it maximizes the heat transfer area through metal wicks. Metal foam is a lightweight metal structure that has a high porosity of over 0.9. The typical materials for metal foam are Aluminum, Copper, Nickel, and Silicon Carbide (SiC). Metal foam not only enhances heat transfer via conduction but also increases contact surface area. In the HITB design , the metal foam is being considered as one of the options to enhance the heat transfer of TES medium (PCM) [1]. To predict the enhanced thermal performance of TES, one should properly estimate the effective thermal conductivity of metal foam combined with PCM material or calculate heat transfer in distributed model. There are many experimental works that provides effective thermal conductivity of metal foam with various PCM [2,3]. Also, many theoretical models were developed based on the unit cell model of metal foam [4,5]. With a distributed model, on the other hand, detail heat transfer characteristics between metal foam and PCM material can be analyzed considering the geometry or buoyancy effect. However, due to the complex geometry of metal foam pores, the computational cost for three-dimensional modeling highly increases. Therefore, if metal foam structure can be modeled in simple and repetitive design, the computational cost would decrease Among the various metal foam models [2], lattice model is one of the simple and extendable design. The porosity and pores per inch (PPI) can be characterized by the size and spatial distance of lattice structure. If the three-dimensional metal foam model consists of lattice structure could properly estimate the heat transfer, which is characterized by effective thermal conductivity, it would be a good option to assess the thermal performance of metal foam with PCM. In this study, a three-dimensional numerical model was developed to simulate conductive heat transfer between metal foam and PCM. The three-dimensional lattice structure of square pillars was selected as a basic structure of the metal foam. The calculation result was characterized by the effective thermal conductivity of the whole domain. A sensitivity study was conducted for mesh size, domain size, and PPI to check whether the calculation result gives a converged result or not. Lastly, the effective thermal conductivity from the lattice model was compared with existing experimental data to validate the model result

25 ENERGY STORAGE↗

DOE OSTI2019

Development and Calibration of an Online Energy Model for AHU Fan

The model development is necessary for the study of the energy consumption of Heating, Ventilation, and Air Conditioning (HVAC) systems. To predict the HVAC energy consumption accurately, one needs to model the individual HVAC components either from the measured data or based on the knowledge of the underlying physical phenomenon. Online model characterization is critical for improving the performance of real-time model-based fault detection and diagnosis (FDD) strategies. For HVAC control, models can be used to optimize the supervisory and local feedback control strategies to improve the energy consumption efficiency, or for providing ancillary services to the grid. It has been reported that, fans in HVAC systems of commercial buildings alone can provide substantial frequency regulation service, with little change in the indoor environment. In this paper, a real-time data-driven Air Handling Unit (AHU) fan model was developed based on recursive multi regression model. A generic nonlinear polynomial model has been studied to cover scenarios with different combinations of measurement variables, variable orders as well as different training and prediction horizons. Typical measurements including static pressure, mass flow rate, and damper positions are utilized as inputs to model the power consumption of the fan. The developed models have been validated both with simulation data from EnergyPlus-Dymola co-simulation model and with field measurement data for small to medium commercial buildings. The validation results show that the online model proposed can provide an effective prediction of the AHU fan power consumption.

Dong, Jin↗

NASA NTRS1989

Overcoming limitations of model-based diagnostic reasoning systems

The development of a model-based diagnostic system to overcome the limitations of model-based reasoning systems is discussed. It is noted that model-based reasoning techniques can be used to analyze the failure behavior and diagnosability of system and circuit designs as part of the system process itself. One goal of current research is the development of a diagnostic algorithm which can reason efficiently about large numbers of diagnostic suspects and can handle both combinational and sequential circuits. A second goal is to address the model-creation problem by developing an approach for using design models to construct the GMODS model in an automated fashion.

Holtzblatt, Lester J.↗

NASA NTRS1991

Development of an annoyance model based upon elementary auditory sensations for steady-state aircraft interior noise containing tonal components

The purpose of this investigation was to develop a noise annoyance model, superior to those already in use, for evaluating passenger response to sounds containing tonal components which may be heard within current and future commercial aircraft. The sound spectra investigated ranged from those being experienced by passengers on board turbofan powered aircraft now in service to those cabin noise spectra passengers may experience within advanced propeller-driven aircraft of the future. A total of 240 sounds were tested in this experiment. Sixty-six of these 240 sounds were steady state, while the other 174 varied temporally due to tonal beating. Here, the entire experiment is described, but the analysis is limited to those responses elicited by the 66 steady-state sounds.

Angerer, James R.↗

NASA NTRS2003

Point to Point Control of the Hydrogen Mixer

We continue to build on the theoretical modelling of a liquid hydrogen (LH2) and gas hydrogen (GH2) mixer subsystem. The mixer described in this work is responsible for combining high pressure LH2 and GH2 to produce a hydrogen flow that meets certain thermodynamic properties. The desired properties are maintained by precise control of the LH2 and GH2 flows. The mixer is modelled as a general multi-flow lumped volume for single constituent fluids using density and internal energy as states. The set of nonlinear differential equations is modelled in the SIMULINK environment including a table look-up feature of the fluid thermodynamic properties. A small signal (linear) model is developed based on the nonlinear model and simulated as well. Pulse disturbances are introduced to the valve positions and the quality of the linear model is ascertained by comparing its behavior against the nonlinear model simulations. Valve control strategies that simulate an operator-in-the-loop scenario are then explored demonstrating the need for automatic feedback control. Finally, optimal single-output and multi-output Proportional/Integral controllers are designed based on the linear model and applied to the nonlinear model with excellent results to track simultaneous, constant setpoint changes in desired exit flow, exit temperature, and mixer pressure, as well as to reject unmeasureable but bounded additive step perturbations in the valve positions.

Barbieri, Enrique↗

NASA NTRS2003

Modeling, Simulation and Control of a Propellant Mixer

This paper addresses some modeling and control issues for a mixing chamber used in rocket engine testing at NASA Stennis Space Center. The mixer must combine high pressure liquid hydrogen (LH2) and gaseous hydrogen (GH2) to produce and output flow that meets certain thermodynamic properties before it is fed into a test article. More precisely, this paper considers that the quantities to be tracked and/or regulated are mixer internal pressure, exit mass flow, and exit temperature. The available control inputs are given by three value positions, namely those of the GH2, LH2 and exit valves. The mixer is modelled by a system of two nonlinear ordinary differential equations having density and internal energy as states. The model must be simple enough to lend itself to subsequent feedback controller design, yet its accuracy must be tested against real data. For this reason, the model includes function calls to thermodynamic property data. Some structural properties of the resulting model that pertain to controller design, such as controllability and uniqueness of the equilibrium point are shown to hold. Validation of the model against real data is also provided. As a first control approach, a small-signal (linear) model is developed based on the nonlinear model and simulated as well. Pulse disturbances are introduced to the valve positions and the quality of the linear model is ascertained by comparing its behavior against the nonlinear model simulations. Valve control strategies that simulate an operator-in-the-loop scenario are then explored demonstrating the need for automatic feedback control. Classical optimal single-output and multi-output Proportional/Integral controllers are designed based on the linear model and applied to the nonlinear model with excellent results to track simultaneous, constant setpoint changes in desired exit flow, exit temperature, and mixer pressure, as well as to reject unmeasurable but bounded additive step perturbations in the valve positions. A feedback linearization controller is designed and used to achieve tracking and regulation of the outputs over an extended range of the variables of interest.

Richter, Hanz↗

NASA NTRS2003

Small Signal Point-to-Point Tracking of a Propellant Mixer

This paper addresses some theoretical modelling and control issues for a mixing chamber used in rocket engine testing at NASA Stennis Space Center. The mixer is responsible for combining high pressure LH2 and GH2 to produce a hydrogen flow that meets certain thermodynamic properties before it is fed into a test article. The desired properties are maintained by precise control of the LH2 and GH2 flows. The mixer is modelled as a general multi-flow lumped volume for single constituent fluids using density and internal energy as states. The set of nonlinear differential equations is modelled in the SIMULINK environment including a table look-up feature of the fluid thermodynamic properties. a small-signal (linear) model is developed based on the nonlinear model and simulated as well. Pulse disturbances are introduced to the valve positions and the quality of the linear model is ascertained by comparing its behavior against the nonlinear model simulations. Valve control strategies that simulate an operator-in-the-loop scenario are then explored demonstrating the need for automatic feedback control. Finally, classical optimal single-output and multi-output Proportional/Integral controllers are designed based on the linear model and applied to the nonlinear model with excellent results to track simultaneous, constant setpoint changes in desired exit flow, exit temperature, and mixer pressure, as well as to reject unmeasurable but bounded additive step perturbations in the valve positions.

Barbieri, Enrique↗

NASA NTRS2003

Weight and the Future of Space Flight Hardware Cost Modeling

Weight has been used as the primary input variable for cost estimating almost as long as there have been parametric cost models. While there are good reasons for using weight, serious limitations exist. These limitations have been addressed by multi-variable equations and trend analysis in models such as NAFCOM, PRICE, and SEER; however, these models have not be able to address the significant time lags that can occur between the development of similar space flight hardware systems. These time lags make the cost analyst's job difficult because insufficient data exists to perform trend analysis, and the current set of parametric models are not well suited to accommodating process improvements in space flight hardware design, development, build and test. As a result, people of good faith can have serious disagreement over the cost for new systems. To address these shortcomings, new cost modeling approaches are needed. The most promising approach is process based (sometimes called activity) costing. Developing process based models will require a detailed understanding of the functions required to produce space flight hardware combined with innovative approaches to estimating the necessary resources. Particularly challenging will be the lack of data at the process level. One method for developing a model is to combine notional algorithms with a discrete event simulation and model changes to the total cost as perturbations to the program are introduced. Despite these challenges, the potential benefits are such that efforts should be focused on developing process based cost models.

Prince, Frank A.↗

NASA NTRS2015

Development, Testing, and Validation of a Model-Based Tool to Predict Operator Responses in Unexpected Workload Transitions

One human factors challenge is predicting operator performance in novel situations. Approaches such as drawing on relevant previous experience, and developing computational models to predict operator performance in complex situations, offer potential methods to address this challenge. A few concerns with modeling operator performance are that models need to realistic, and they need to be tested empirically and validated. In addition, many existing human performance modeling tools are complex and require that an analyst gain significant experience to be able to develop models for meaningful data collection. This paper describes an effort to address these challenges by developing an easy to use model-based tool, using models that were developed from a review of existing human performance literature and targeted experimental studies, and performing an empirical validation of key model predictions.

model-based workload transition tool↗

DOE OSTI2018

Development of a functional thyroid model based on an organoid culture system

Highlights: • We developed a culture system for murine thyroid organoids. • TSH stimulated thyroid organoid formation and growth. • TSH-responsive thyroid organoids formed functional thyroid-like tissue in vivo. • NRAS{sup Q61R}-positive, p53{sup −/−} organoids gave rise to thyroid cancer. The low turnover rate of thyroid follicular cells and the lack of a long-term thyroid cell culture system have hampered studies of thyroid carcinogenesis. We have now established a thyroid organoid culture system that supports thyroid cell proliferation in vitro. The established mouse thyroid organoids performed thyroid functions including thyroglobulin synthesis, iodide uptake, and the production and release of thyroid hormone. Furthermore, transplantation of the organoids into recipient mice resulted in the formation of normal thyroid–like tissue capable of iodide uptake and thyroglobulin production in vivo. Finally, forced expression of oncogenic NRAS (NRAS{sup Q61R}) in thyroid organoids established from p53 knockout mice and transplantation of the manipulated organoids into mouse recipients generated a model of poorly differentiated thyroid cancer. Our findings suggest that this newly developed thyroid organoid culture system is a potential research tool for the study of thyroid physiology and pathology including thyroid cancer.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2017

Applicability of available Li-ion battery degradation models for system and control algorithm design

Within electrified vehicle powertrains, lithium-ion battery performance degrades with aging and usage, resulting in a loss in both energy and power capacity. As a result, models used for system design and control algorithm development would ideally capture the impact of those efforts on battery capacity degradation, be computationally efficient, and simple enough to be used for algorithm development. This paper provides an assessment of the state-of-the-art in lithium-ion battery degradation models, including accuracy, computational complexity, and amenability to control algorithm development. Various aging and degradation models have been studied in the literature, including physics-based electrochemical models, semi-empirical models, and empirical models. Some of these models have been validated with experimental data; however, comparisons of pre-existing degradation models across multiple experimental data sets have not been previously published. Three representative models, a 1-d electrochemical model (a combination of performance model and degradation model), a semi-empirical degradation model (the performance is predicted by an equivalent circuit model) and an empirical degradation model (the performance is predicted by an equivalent circuit model), are compared against four published experimental data sets for a 2.3-Ah commercial graphite/LiFePO 4 cell. Based on simulation results and comparisons to experimental data, the key differences in the aging factors captured by each of the models are summarized. Here the results show that the physics-based model is best able to capture results across all four representative data sets with an error less than 10%, but is 20x slower than the empirical model, and 134x slower than the semi-empirical model, making it unsuitable for powertrain system design and model-based algorithm development. Despite being computationally efficient, the semi-empirical and empirical models, when used under conditions that lie outside the calibration data set, exhibit up to 71% error in capacity loss prediction. Such models require expensive experimental data collection to recalibrate for every new application. Thus, in the author’s opinion, there exists a need for a physically-based model that generalizes well across operating conditions, is computationally efficient for model-based design, and simple enough for control algorithm development.

25 ENERGY STORAGE↗

NASA NTRS1989

Analysis of an algae-based CELSS. Part 1: model development

A steady state chemical model and computer program have been developed for a life support system and applied to trade-off studies. The model is based on human demand for food and oxygen determined from crew metabolic needs. The model includes modules for water recycle, waste treatment, CO2 removal and treatment, and food production. The computer program calculates rates of use and material balance for food. O2, the recycle of human waste and trash, H2O, N2, and food production supply. A simple non-iterative solution for the model has been developed using the steady state rate equations for the chemical reactions. The model and program have been used in system sizing and subsystem trade-off studies of a partially closed life support system.

Models, Chemical↗

DOE OSTI2024

Machine learning surrogate for charged particle beam dynamics with space charge based on a recurrent neural network with aleatoric uncertainty

In this work, we develop a machine learning (ML) model with aleatoric uncertainty for the low energy beam transport (LEBT) region of the LANSCE linear accelerator in which we model the transport of a space-charge-dominated 750 keV proton beam through a lattice of 22 quadrupole magnets. Our ML model is developed based on data generated by a Kapchinsky–Vladimirsky (KV) envelope model of beam transport. We show that a recurrent neural network can be used as a dynamical surrogate model for fast prediction of the LEBT beam envelope. Furthermore, we endow the model with the prediction of aleatoric uncertainty and compare three different approaches. We demonstrate that the ML-based uncertainty quantification models are well calibrated and produce good estimates of the regions where the model is less certain about its predictions. This ML framework is a necessary step in the development of a real-time virtual diagnostic tool with uncertainty quantification that can be integrated into more complex downstream tasks (e.g., adaptive control or learning flexible control policies via reinforcement learning) for improved efficiency in beam operations. In future work, we plan to expand on this preliminary study by considering more realistic envelope models that include longitudinal momentum spread and dispersive effects in bending magnets, as well as particle tracking codes with 3D space charge (such as and ). Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗

NASA NTRS1995

High Resolution IRAS Maps and IR Emission of M31 -- II. Diffuse Component and Interstellar Dust

Large-scale dust heating and cooling in the diffuse medium of M31 is studied using the high resolution (HiRes) IRAS maps in conjunction with UV, optical (UBV), and the HI maps. A dust heating/cooling model is developed based on a radiative transfer model which assumes a 'Sandwich' configuration of dust and stars takes account of the effect of dust grain scattering.

infrared astronomy galaxies interstellar grains ph↗