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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1998

Performance Testing of a Trace Contaminant Control Subassembly for the International Space Station

As part of the International Space Station (ISS) Trace Contaminant Control Subassembly (TCCS) development, a performance test has been conducted to provide reference data for flight verification analyses. This test, which used the U.S. Habitation Module (U.S. Hab) TCCS as the test article, was designed to add to the existing database on TCCS performance. Included in this database are results obtained during ISS development testing; testing of functionally similar TCCS prototype units; and bench scale testing of activated charcoal, oxidation catalyst, and granular lithium hydroxide (LiOH). The present database has served as the basis for the development and validation of a computerized TCCS process simulation model. This model serves as the primary means for verifying the ISS TCCS performance. In order to mitigate risk associated with this verification approach, the U.S. Hab TCCS performance test provides an additional set of data which serve to anchor both the process model and previously-obtained development test data to flight hardware performance. The following discussion provides relevant background followed by a summary of the test hardware, objectives, requirements, and facilities. Facility and test article performance during the test is summarized, test results are presented, and the TCCS's performance relative to past test experience is discussed. Performance predictions made with the TCCS process model are compared with the U.S. Hab TCCS test results to demonstrate its validation.

Perry, J. L.↗
DOE OSTI2025

The Monolithic Heat Pipe Microreactor Reference Plant Model Updates

This work presents the latest improvements to, and investigations performed with, the generic monolithic heat-pipe-cooled microreactor reference plant model for the United States Nuclear Regulatory Commission. This model serves as the foundation for the future detailed design evaluation models based on license applications. This model has been developed with the Comprehensive Reactor Analysis Bundle (BlueCRAB) and its specifications are based on open literature publications for the eVinci™ design . BlueCRAB is the U.S. Nuclear Regulatory Commission non-light-water reactor analysis system based on MOOSE, the Multiphysics Object-Oriented Simulation Environment framework, which can couple the Griffin, BISON, and Sockeye applications to resolve the various physics that are essential for the safety analysis of this type of reactor system. The core specifications include tristructural isotropic fuel, graphite monolith, graphite reflectors, and drums composed of graphite and B 4 C.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Multiscale Modeling of Silicon Carbide Cladding for Nuclear Applications: Thermal Performance Modeling

The complex multiscale and anisotropic nature of silicon carbide (SiC) ceramic matrix composite (CMC) makes it difficult to accurately model its performance in nuclear applications. The existing models for nuclear grade composite SiC do not account for the microstructural features and how these features can affect the thermal and structural behavior of the cladding and its anisotropic properties. In addition to the microstructural features, the properties of individual constituents of the composites and fiber tow architecture determine the bulk properties. Models for determining the relationship between the individual constituents’ properties and the bulk properties of SiC composites for nuclear applications are absent, although empirical relationships exist in the literature. Here, a hierarchical multiscale modeling approach was presented to address this challenge. This modular approach addressed this difficulty by dividing the various aspects of the composite material into separate models at different length scales, with the evaluated property from the lower-length-scale model serving as an input to the higher-length-scale model. The multiscale model considered the properties of various individual constituents of the composite material (fiber, matrix, and interphase), the porosity in the matrix, the fiber volume fraction, the composite architecture, the tow thickness, etc. By considering inhomogeneous and anisotropic contributions intrinsically, our bottom-up multiscale modeling strategy is naturally physics-informed, bridging constitutive law from micromechanics to meso-mechanics and structural mechanics. The effects that these various physical attributes and thermo-physical properties have on the composite’s bulk thermal properties were easily evaluated and demonstrated through the various analyses presented herein. Since silicon carbide fiber-reinforced SiC CMCs are also promising thermal–structural materials with a broad range of high-end technology applications beyond nuclear applications, we envision that the multiscale modeling method we present here may prove helpful in future efforts to develop and construct reinforced CMCs and other advanced composite nuclear materials, such as MAX phase materials, that can service under harsh environments of ultrahigh temperatures, oxidation, corrosion, and/or irradiation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Polarizable Water Potential Derived from a Model Electron Density

A new empirical potential for efficient, large scale molecular dynamics simulation of water is presented. The HIPPO (Hydrogen-like Intermolecular Polarizable POtential) force field is based upon the model electron density of a hydrogen-like atom. This framework is used to derive and parametrize individual terms describing charge penetration damped permanent electrostatics, damped polarization, charge transfer, anisotropic Pauli repulsion, and damped dispersion interactions. Initial parameter values were fit to Symmetry Adapted Perturbation Theory (SAPT) energy components for ten water dimer configurations, as well as the radial and angular dependence of the canonical dimer. The SAPT-based parameters were then systematically refined to extend the treatment to water bulk phases. The final HIPPO water model provides a balanced representation of a wide variety of properties of gas phase clusters, liquid water, and ice polymorphs, across a range of temperatures and pressures. This water potential yields a rationalization of water structure, dynamics, and thermodynamics explicitly correlated with an ab initio energy decomposition, while providing a level of accuracy comparable or superior to previous polarizable atomic multipole force fields. The HIPPO water model serves as a cornerstone around which similarly detailed physics-based models can be developed for additional molecular species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Gas-Cooled High-Temperature Pebble-Bed Reactor Reference Plant Model Updates

This work presents the latest improvements to, and investigations performed with, the pebble-bed high-temperature gas-cooled reactor (PB-HTGR) reference plant models for the United States Nuclear Regulatory Commission. These models serve as the foundation for the future development of detailed design evaluation models based on license applications. The reference plant models have been developed with the Comprehensive Reactor Analysis Bundle, or BlueCRAB, which is the code suite proposed for non-light-water reactor systems safety analysis. It incorporates various simulation tools developed by the Nuclear Energy Advanced Modeling and Simulation program, including the Griffin code for reactor physics, the Pronghorn and SAM codes for core thermal fluids, the BISON code for solid conduction and fuel performance, and the SAM code for system analysis. The primary objective of the work that was performed was to assess BlueCRAB’s level of readiness for modeling a PB-HTGR. To do so, we first developed numerical models in BlueCRAB that include the key physics for this technology to ensure an adequate level of fidelity for modeling PB-HTGR core performance and for performing multiphysics simulations for equilibrium core conditions and different accident scenarios. Then we simulated transient scenarios, including depressurized and pressurized loss of forced cooling accidents, over-cooling, and control rod withdrawal events with delayed and prompt supercritical reactivity insertions. The analysis in this report includes comparisons of the 2D thermal fluid porous media models in Pronghorn and SAM, and comparisons of coupled SAM/Griffin/SAM and coupled Pronghorn/Griffin for depressurized and pressurized loss of forced cooling, over-cooling, and control rod withdrawal events. In addition, we compare 3D, 2D, and 0D/PKE neutronic models for the two control rod withdrawal scenarios with coupled Pronghorn/Griffin. The comparisons show that the BlueCRAB models lead to physically intuitive solutions for the scenarios examined. The changes in the various scalar and vector fields, such as neutron flux, power, temperature, density, pressure, and velocity, are within the expected ranges, and their distributions can be explained by the system response of the transients and the geometric and material variations. Several comparisons suggest that the porous media models in Pronghorn and SAM can lead to similar solutions, even though they are based on different methodologies. This work further highlights the need for flexible tools with various levels of fidelity to cover the breadth and depth of needs that may arise in future technical evaluations of the PB-HTGR. We believe that the BlueCRAB capabilities will be a significant asset for confirmatory analyses in order to resolve important safety questions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1976

A simulation of water pollution model parameter estimation

A parameter estimation procedure for a water pollution transport model is elaborated. A two-dimensional instantaneous-release shear-diffusion model serves as representative of a simple transport process. Pollution concentration levels are arrived at via modeling of a remote-sensing system. The remote-sensed data are simulated by adding Gaussian noise to the concentration level values generated via the transport model. Model parameters are estimated from the simulated data using a least-squares batch processor. Resolution, sensor array size, and number and location of sensor readings can be found from the accuracies of the parameter estimates.

Kibler, J. F.↗
NASA NTRS1994

HRMA calibration handbook: EKC gravity compensated XRCF models

This document, consisting of hardcopy printout of explanatory text, figures, and tables, represents one incarnation of the AXAF high resolution mirror assembly (HRMA) Calibration Handbook. However, as we have envisioned it, the handbook also consists of electronic versions of this hardcopy printout (in the form of postscript files), the individual scripts which produced the various figures and the associated input data, the model raytrace files, and all scripts, parameter files, and input data necessary to generate the raytraces. These data are all available electronically as either ASCII or FITS files. The handbook is intended to be a living document and will be updated as new information and/or fabrication data on the HRMA are obtained, or when the need for additional results are indicated. The SAO Mission Support Team (MST) is developing a high fidelity HRMA model, consisting of analytical and numerical calculations, computer software, and databases of fundamental physical constants, laboratory measurements, configuration data, finite element models, AXAF assembly data, and so on. This model serves as the basis for the simulations presented in the handbook. The 'core' of the model is the raytrace package OSAC, which we have substantially modified and now refer to as SAOsac. One major structural modification to the software has been to utilize the UNIX binary pipe data transport mechanism for passing rays between program modules. This change has made it possible to simulate rays which are distributed randomly over the entrance aperture of the telescope. It has also resulted in a highly efficient system for tracing large numbers of rays. In one application to date (the analysis of VETA-I ring focus data) we have employed 2 x 10(exp 7) rays, a substantial improvement over the limit of 1 x 10(exp 4) rays in the original OSAC module. A second major modification is the manner in which SAOsac incorporates low spatial frequency surface errors into the geometric raytrace. The original OSAC included the ability to use Legendre-Fourier polynomials to describe deviations from the basic optical prescription. To this we have added bicubic splines to address a deficiency in the handling of the sharper deformations in the areas of mirror support pads. SAO has developed software (TRANS-FIT) to translate the most common finite element analysis models into these forms for incorporation into the raytrace program.

Tananbaum, H. D.↗
DOE OSTI2025

Exploring Electrode-Level State-of-Charge and State-of-Health Dynamics in Lithium-Ion Battery Cells: Modeling and Experimental Identification

A computationally efficient model serves as a critical prerequisite for battery performance analysis and advanced battery management algorithm design. Although battery models that capture cell-level behavior have been widely explored in existing literature, electrode-level battery models have received much lesser attention till to date. However, such electrode-level models can significantly increase battery performance and life by enabling electrode-level health-conscious control. Such electrode-level control can effectively expand usable energy and power limits of the battery cells by utilizing the knowledge of individual electrodes' charge and health. In this context, this paper presents a comprehensive battery model developed with a reference electrode insertion that captures (i) electrode-level charge/discharge dynamics, (ii) stoichiometric and temporal dependencies of electrode-level resistances, (iii) solid electrolyte interface (SEI) layer growth as key degradation phenomenon, and (iv) capacity fade and resistance rise in each electrode due to nominal battery aging. The proposed model is identified, and a preliminary validation is performed utilizing terminal voltage and negative electrode potential data collected from a pouch cell under one continuous cycling and accelerated aging conditions where the cell experienced 14% capacity loss.

aging↗
DOE OSTI2021

Electric Water Heaters for Transactive Systems: Model Evaluations and Performance Quantification

Electric water heaters (EWHs) are opportune appliances for implementing demand-side control. EWH models serve as a fundamental step toward accurately estimating EWH flexibility potential and designing proper control strategies. Existing studies have adapted numerous modeling approaches in evaluating the potential of EWHs for a variety of grid applications. This paper presents an analytical study that evaluates the performance of state-of-art EWH models in terms of accuracy and computational complexity for adaptation in evaluation studies for the transactive system. The work proposes a transactive control strategy that optimally utilizes the thermal inertia of EWHs for providing grid services. Here, the performance of the control strategy and the impact of modeling accuracy is evaluated for device-level and feeder-level use cases using the IEEE 123 node test distribution system appropriately populated with EWHs. The simulation results illustrate the effectiveness of the control strategy in reducing the feeder demand during peak period by 13% and also quantities the impact of using simplified modeling approaches for determining the potential of EWHs for providing grid services.

42 ENGINEERING↗
DOE OSTI2026

A Framework for Parametric and Predictive Uncertainty Quantification in the E3SM Land Model: Assessing Site and Observable Generalizability

Quantifying parametric uncertainty using observations from individual sites provides a critical foundation for Earth system modeling, serving as a necessary first step before scaling up to regional or global applications. This study introduces a novel computational framework designed to enhance model predictability by reducing parametric uncertainty and assessing site and observable generalizability using various observational constraints. The framework integrates five components: Model Simulation, Statistical Emulation, Global Sensitivity Analysis (GSA), Model Calibration, and Model Prediction. Using the E3SM land model, we simulated site-level land-atmosphere carbon and energy fluxes from 2003 to 2007 across five evergreen needleleaf FLUXNET sites, perturbing 26 vegetation-related model parameters. Gaussian process emulators were employed to expedite GSA and model calibration. Four critical parameters that strongly influence selected land-atmosphere fluxes were identified by GSA. Bayesian approaches were used to infer parameter probability distributions leveraging synthetic data and FLUXNET observations. The results reveal that posterior parameter distributions vary significantly across different sites and observables within the same plant functional type. Probabilistic predictions indicate that parameters calibrated at one site can enhance predictive accuracy at other sites, although site heterogeneity may sometimes outweigh parametric uncertainty. Additionally, the probabilistic predictions demonstrate that calibration for one variable can also improve predictability for other variables, thereby maximizing predictive capabilities with limited observations. This framework provides a powerful approach for reducing parametric uncertainty in Earth system models and deepening our understanding of carbon dynamics and energy cycles. Its adaptability makes it a valuable tool for broader applications in Earth system modeling.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1993

Numerical model for the Programmable Multirole Furnace (PMZF)

The present account of the Programmable Multizone Furnace numerical model uses various examples to illustrate the ways in which the model serves as an optimization, test, prediction, and visualization tool; a numerical PID-control algorithm obtains the desired sample temperature distributions and allows the model to solve an inverse heat transfer problem where the desired sample temperature profile is the input and the required heater power distribution is the output of numerical simulations. Parametric studies show how the total power consumption of the furnace is affected by such design variables as the conductivity.

Kassemi, M.↗
DOE OSTI2019

Solar-Forecast GridAPPS-D Application [SWR-18-36]

Persistent model serves as the baseline in the intra-hour forecasting of solar radiation due to the extensive computing efforts from the numerical weather prediction (NWP) models and the lack of surface observations in cloud as well as other atmospheric properties. The smart persistent model actively updates the extraterrestrial solar radiation with time and is an important improvement from the persistent model while the cloud conditions are assumed unchanged by giving constant clear-sky indexes. We developed a Physics-based Smart Persistent model for Intra-hour solar forecasting (PSPI) to further improve the accuracy of the smart persistent model. We used a cloud retrieval technique developed by Xie and Liu (2013) to estimate cloudy fraction and cloud albedo using surface-based observations of solar radiation. The solar radiation in future time steps is accurately given by actively computing individual cloud albedo related to the future solar position. Our evaluation studies indicated that the PSPI model significantly increased the accuracy in the short-term forecast of solar radiation, especially in thin cloud conditions or those covered by broken clouds.

Xie, Yu↗
DOE OSTI2020

Models of SIV rebound after treatment interruption that involve multiple reactivation events

In order to assess the efficacy of novel HIV-1 treatments leading to a functional cure, the time to viral rebound is frequently used as a surrogate endpoint. The longer the time to viral rebound, the more efficacious the therapy. In support of such an approach, mathematical models serve as a connection between the size of the latent reservoir and the time to HIV-1 rebound after treatment interruption. The simplest of such models assumes that a single successful latent cell reactivation event leads to observable viremia after a period of exponential viral growth. Here we consider a generalization developed by Pinkevych et al. and Hill et al. of this simple model in which multiple reactivation events can occur, each contributing to the exponential growth of the viral load. We formalize and improve the previous derivation of the dynamics predicted by this model, and use the model to estimate relevant biological parameters from SIV rebound data. We confirm a previously described effect of very early antiretroviral therapy (ART) initiation on the rate of recrudescence and the viral load growth rate after treatment interruption. We find that every day ART initiation is delayed results in a 39% increase in the recrudescence rate (95% credible interval: [18%, 62%]), and a 11% decrease of the viral growth rate (95% credible interval: [4%, 20%]). We show that when viral rebound occurs early relative to the viral load doubling time, a model with multiple successful reactivation events fits the data better than a model with only a single successful reactivation event.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2002

Physiological Feedback Method and System

A method and system provide physiological feedback for a patient and/or physician. At least one physiological effect experienced by a body part of a patient is measured noninvasively. A three-dimensional graphics model serving as an analogous representation of the body part is altered in accordance with the measurements. A binocular image signal representative of the three-dimensional graphics model so-altered is displayed for the patient and/or physician in a virtual reality environment.

Pope, Alan T.↗
NASA NTRS2005

Physics-Based Spectra of Accretion Disks around Black Holes

The purpose of this grant was to begin the process of deriving the light output of accretion disks around black holes directly from the actual processes that inject heat into the accreting matter, rather than from guessed dependences of heating rate on physical parameters. At JHU, the effort has focussed so far on models of accretion onto "intermediate mass black holes", a possible class of black holes, examples of which may have recently been discovered in nearby galaxies. There, Krolik and his student (Yawei Hui) have computed stellar atmospheres for uniformly-heated disks around this class of black holes. Their models serve two purposes: they are the very first serious attempts to compute the spectrum from accreting black holes in this mass range; and a library of such models can be used later in this program as contrasts for those computed on the basis of real disk dynamics. The output from these local disk calculations has also been successfully coupled to a program that applies the appropriate relativistic transformations and computes photon trajectories in order to predict the spectrum received by observers located at different polar angles. The principal new result of these calculations is the discovery of potentially observable ionization edges of H-like C and O at frequencies near the peak in flux from these objects. Most of the grant money at UCSB was spent on supporting graduate student Shane Davis. In addition. some money was spent on supporting two other students: Ari Socrates (now a Hubble Fellow at Princeton), and Laura Melling. Davis spent the year constructing stellar atmosphere models of accretion disks appropriate for the high/soft (thermal) state of black hole X-ray binaries. As with AGN models published previously by our collaboration with NASA support. our models include a complete general relativistic treatment of both the disk structure and the propagation of photons from the disk to a distant observer. They also include all important continuum opacity sources, including Compton scattering and bound-free opacity from abundant metal species. The principal new result is that bound-free opacity is very significant in altering the continuum spectral shape, resulting for example in quite different "color correction factors" compared to those predicted previously. In addition, the models predict a relationship between luminosity and inner disk temperature that is, for the first time, in accord with that observed. The primary purpose of the grant was to incorporate more realistic accretion disk physics, learned largely from simulations, into such spectral models. The Davis et al. paper includes consideration of a vertical dissipation profile computed from radiation magneto-hydrodynamic simulations of MRI turbulence by N. J. Turner (2004). So long as the disk is effectively thick, such dissipation profiles do not affect the predicted spectrum significantly. (More work needs to be done on these simulations, however.) A potentially more serious issue is that MRI turbulence produces substantial inhomogeneities, as do photon bubble instabilities. These inhomogeneities can affect the spectra by enhancing the effects of absorption opacity over scattering opacity. We have done some preliminary Monte Carlo calculations to explore these effects.

Krolik, Julian H.↗
NASA NTRS2010

Use of Dynamic Models and Operational Architecture to Solve Complex Navy Challenges

The United States Navy established 8 Maritime Operations Centers (MOC) to enhance the command and control of forces at the operational level of warfare. Each MOC is a headquarters manned by qualified joint operational-level staffs, and enabled by globally interoperable C41 systems. To assess and refine MOC staffing, equipment, and schedules, a dynamic software model was developed. The model leverages pre-existing operational process architecture, joint military task lists that define activities and their precedence relations, as well as Navy documents that specify manning and roles per activity. The software model serves as a "computational wind-tunnel" in which to test a MOC on a mission, and to refine its structure, staffing, processes, and schedules. More generally, the model supports resource allocation decisions concerning Doctrine, Organization, Training, Material, Leadership, Personnel and Facilities (DOTMLPF) at MOCs around the world. A rapid prototype effort efficiently produced this software in less than five months, using an integrated process team consisting of MOC military and civilian staff, modeling experts, and software developers. The work reported here was conducted for Commander, United States Fleet Forces Command in Norfolk, Virginia, code N5-0LW (Operational Level of War) that facilitates the identification, consolidation, and prioritization of MOC capabilities requirements, and implementation and delivery of MOC solutions.

Grande, Darby↗
NASA NTRS2017

Simulation Propulsion System and Trajectory Optimization

A number of new aircraft concepts have recently been proposed which tightly couple the propulsion system design and operation with the overall vehicle design and performance characteristics. These concepts include propulsion technology such as boundary layer ingestion, hybrid electric propulsion systems, distributed propulsion systems and variable cycle engines. Initial studies examining these concepts have typically used a traditional decoupled approach to aircraft design where the aerodynamics and propulsion designs are done a-priori and tabular data is used to provide inexpensive look ups to the trajectory ana-ysis. However the cost of generating the tabular data begins to grow exponentially when newer aircraft concepts require consideration of additional operational parameters such as multiple throttle settings, angle-of-attack effects on the propulsion system, or propulsion throttle setting effects on aerodynamics. This paper proposes a new modeling approach that eliminated the need to generate tabular data, instead allowing an expensive propulsion or aerodynamic analysis to be directly integrated into the trajectory analysis model and the entire design problem optimized in a fully coupled manner. The new method is demonstrated by implementing a canonical optimal control problem, the F-4 minimum time-to-climb trajectory optimization using three relatively new analysis tools: Open M-DAO, PyCycle and Pointer. Pycycle and Pointer both provide analytic derivatives and Open MDAO enables the two tools to be combined into a coupled model that can be run in an efficient parallel manner that helps to cost the increased cost of the more expensive propulsion analysis. Results generated with this model serve as a validation of the tightly coupled design method and guide future studies to examine aircraft concepts with more complex operational dependencies for the aerodynamic and propulsion models.

Optimization↗