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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

Self-Consistent Magnetosphere-Ionosphere Coupling and Associated Plasma Energization Processes

Magnetosphere-Ionosphere (MI) coupling and associated with this process electron and ion energization processes have interested scientists for decades and, in spite of experimental and theoretical research efforts, are still ones of the least well known dynamic processes in space plasma physics. The reason for this is that the numerous physical processes associated with MI coupling occur over multiple spatial lengths and temporal scales. One typical example of MI coupling is large scale ring current (RC) electrodynamic coupling that includes calculation of the magnetospheric electric field that is consistent with the ring current (RC) distribution. A general scheme for numerical simulation of such large-scale magnetosphere-ionosphere coupling processes has been presented earlier in many works. The mathematical formulation of these models are based on "modified frozen-in flux theorem" for an ensemble of adiabatically drifting particles in the magnetosphere. By tracking the flow of particles through the inner magnetosphere, the bounce-averaged phase space density of the hot ions and electrons can be reconstructed and the magnetospheric electric field can be calculated such that it is consistent with the particle distribution in the magnetosphere. The new a self-consistent ring current model has been developed that couples electron and ion magnetospheric dynamics with calculation of electric field. Two new features were taken into account in addition to the RC ions, we solve an electron kinetic equation in our model, self-consistently including these results in the solution. Second, using different analytical relationships, we calculate the height integrated ionospheric conductances as the function of precipitated high energy magnetospheric electrons and ions as produced by our model. This results in fundamental changes to the electric potential pattern in the inner magnetosphere, with a smaller Alfven boundary than previous potential formulations would predict but one consistent with recent satellite observations. This leads to deeper penetration of the plasma sheet ions and electrons into the inner magnetosphere and more effective ring current ions and electron energization.

Khazanov, G. V.↗
DOE OSTI2022

Numerical modeling of ion transport and adsorption in porous media: A pore-scale study for capacitive deionization desalination

In this report a pore-scale model is presented to simulate the dynamic ion transport and adsorption processes in porous electrodes used for capacitive deionization (CDI). The Stokes equation governing water flow is solved using the lattice Boltzmann method and Nernst-Planck equation describing ion transport is solved using the finite volume method. The ion adsorption process is considered at the surface of carbon electrodes. After validation against analytical solutions and published results, the model is used to study the coupled water flow, ion transport and adsorption in both two-dimensional and three-dimensional porous CDI electrodes at the pore scale. The effect of electrode microstructure, electrical potential and flow velocity on the adsorption processes is quantitatively investigated, and the relative importance of various parameters is determined. The presented model can be a powerful numerical tool to quantitatively analyze ion transport and adsorption in porous electrodes, and may provide useful information for the design and optimization of CDI electrodes and operating conditions for desired desalination efficiency, water throughput and cost.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

A comprehensive modeling method for proton exchange membrane electrolyzer development

Hydrogen attracts significant interests as an effective energy carrier that can be derived from renewable sources. Hydrogen production using a proton-exchange membrane (PEM) electrolyzer can efficiently convert renewable power via water splitting in wide scales—from large, centralized generation to on-site production. Mathematical models with multiple scales and fidelities facilitate the continuing improvements of PEM electrolyzer development to improve performance, cost, and reliability. The model scopes and methods are presented in this paper, which also introduces a comprehensive PEM electrolysis modeling tool based on computational fluid dynamics (CFD) software, ANSYS/Fluent. The modeling tool incorporates electrochemical model of a PEM electrolysis cell to simulate the performance of coupled thermal-fluid, species transport, and electrochemical processes in a product-scale cell or stack by leveraging the powerful meshing generation and CFD solver of ANSYS/Fluent. The thermal-fluid modeling includes liquid water/gas two-phase flow and simulates a PEM electrolysis cell by using Fluent user-defined functions as add-on modules accounting for PEM-specific species transport and electrochemical processes. The modeling outcomes expediate PEM electrolyzer scaling up from basic material development and laboratory testing.

08 HYDROGEN↗
DOE OSTI2018

Microbial interactions in the anaerobic oxidation of methane: model simulations constrained by process rates and activity patterns: Process modelling of anaerobic methane oxidation

Proposed syntrophic interactions between the archaeal and bacterial cells mediating anaerobic oxidation of methane coupled with sulfate reduction include electron transfer through (1) the exchange of H2 or small organic molecules between methane-oxidizing archaea and sulfate-reducing bacteria, (2) the delivery of disulfide from methane-oxidizing archaea to bacteria for disproportionation and (3) direct interspecies electron transfer. Each of these mechanisms was implemented in a reactive transport model. The simulated activities across different arrangements of archaeal and bacterial cells and aggregate sizes were compared to empirical data for AOM rates and intra-aggregate spatial patterns of cell-specific anabolic activity determined by FISH-nanoSIMS. Additionally, simulation results showed that rates for chemical diffusion by mechanism (1) were limited by the build-up of metabolites, while mechanisms (2) and (3) yielded cell specific rates and archaeal activity distributions that were consistent with observations from single cell resolved FISH-nanoSIMS analyses. The novel integration of both intra-aggregate and environmental data provided powerful constraints on the model results, but the similarities in model outcomes for mechanisms (2) and (3) highlight the need for additional observational data (e.g. genomic or physiological) on electron transfer and metabolic functioning of these globally important methanotrophic consortia.

36 MATERIALS SCIENCE↗
NASA NTRS2001

A Numerical Study of Tropical Sea-Air Interactions Using a Cloud Resolving Model Coupled with an Ocean Mixed-Layer Model

Coupling a cloud resolving model (CRM) with an ocean mixed layer (OML) model can provide a powerful tool for better understanding impacts of atmospheric precipitation on sea surface temperature (SST) and salinity. The objective of this study is twofold. First, by using the three dimensional (3-D) CRM-simulated (the Goddard Cumulus Ensemble model, GCE) diabatic source terms, radiation (longwave and shortwave), surface fluxes (sensible and latent heat, and wind stress), and precipitation as input for the OML model, the respective impact of individual component on upper ocean heat and salt budgets are investigated. Secondly, a two-way air-sea interaction between tropical atmospheric climates (involving atmospheric radiative-convective processes) and upper ocean boundary layer is also examined using a coupled two dimensional (2-D) GCE and OML model. Results presented here, however, only involve the first aspect. Complete results will be presented at the conference.

Shie, Chung-Lin↗
DOE OSTI2021

Coupling particle scale model and SuperDEM–CFD for multiscale simulation of biomass pyrolysis in a packed bed pyrolyzer

An efficient biomass pyrolysis process requires a comprehensive understanding of the chemical and physical phenomena that occur at multi-length and time scales. In this study, a multiscale computational approach was developed and validated for biomass pyrolysis in a packed-bed reactor by integrating pyrolysis kinetics, a particle scale model, and SuperDEM-CFD in open-source code MFiX. A one-dimensional particle-scale model that discretizes the characteristic length of biomass particle into layers was developed to predict the intraparticle phenomena inside a single particle. The 1D model was validated by comparing it with a single biomass particle pyrolysis experiment. Here, a recently developed SuperDEM-CFD model was employed to simulate the non-spherical particle-particle contact and fluid-particle interaction. The coupled model was applied to simulate the pyrolysis of cubic biomass particles in a packed bed and validated by comparing with experimental data. Simulation with and without particle-scale model was compared, and the effect of the gas-solid heat transfer models was also investigated.

09 BIOMASS FUELS↗
DOE OSTI2023

Constraints on simulated past Arctic amplification and lapse rate feedback from observations

The Arctic has warmed more rapidly than the global mean during the past few decades. The lapse rate feedback (LRF) has been identified as being a large contributor to the Arctic amplification (AA) of climate change. This particular feedback arises from the vertically non-uniform warming of the troposphere, which in the Arctic emerges as strong near-surface and muted free-tropospheric warming. Stable stratification and meridional energy transport are two characteristic processes that are evoked as causes for this vertical warming structure. Our aim is to constrain these governing processes by making use of detailed observations in combination with the large climate model ensemble of the sixth Coupled Model Intercomparison Project (CMIP6). We build on the result that CMIP6 models show a large spread in AA and Arctic LRF, which are positively correlated for the historical period of 1951–2014. Thus, we present process-oriented constraints by linking characteristics of the current climate to historical climate simulations. In particular, we compare a large consortium of present-day observations to co-located model data from subsets that show a weak and strong simulated AA and Arctic LRF in the past. Our analyses suggest that the vertical temperature structure of the Arctic boundary layer is more realistically depicted in climate models with weak (w) AA and Arctic LRF (CMIP6/w) in the past. In particular, CMIP6/w models show stronger inversions in the present climate for boreal autumn and winter and over sea ice, which is more consistent with the observations. These results are based on observations from the year-long Multidisciplinary Drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition in the central Arctic, long-term measurements at the Utqiagvik site in Alaska, USA, and dropsonde temperature profiling from aircraft campaigns in the Fram Strait. In addition, the atmospheric energy transport from lower latitudes that can further mediate the warming structure in the free troposphere is more realistically represented by CMIP6/w models. In particular, CMIP6/w models systemically simulate a weaker Arctic atmospheric energy transport convergence in the present climate for boreal autumn and winter, which is more consistent with fifth generation reanalysis of the European Centre for Medium-Range Weather Forecasts (ERA5). We further show a positive relationship between the magnitude of the present-day transport convergence and the strength of past AA. With respect to the Arctic LRF, we find links between the changes in transport pathways that drive vertical warming structures and local differences in the LRF. This highlights the mediating influence of advection on the Arctic LRF and motivates deeper studies to explicitly link spatial patterns of Arctic feedbacks to changes in the large-scale circulation.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRSDate not supplied

Extending the Capabilities of Thermal Desktop with the OpenTD Application Programming Interface

With the release of Thermal Desktop 6.0, users now had the ability to interface with some of the many elements and constructs of a Thermal Desktop model through external applications developed using the TD API (Application Programming Interface). This file allows applications to be developed in the .NET framework and interface to a number of object types within a Thermal Desktop model. The release of 6.1 expands the subset of objects able to be manipulated and now includes the raw geometrical information of surfaces. With the release of 6.1, the API was now referred to as OpenTD. This paper discusses some of the utilities and capabilities developed using the OpenTD API at the NASA Goddard Space Flight Center. These include utilities to help with configuration control of models and case sets, addition of logic to better process heater performance, and a methodology implemented to allow for submodel level processing of radiation couplings to include smaller radks where needed in a cryogenic region without using the same criteria for the warmer portions of the model. This last utility is targeting a reduction in run time without sacrificing accuracy. Lastly, some lessons learned, work-arounds, and wishes for the next release of the OpenTD API are also presented.

Thermal Desktop↗
DOE OSTI2018

Optimal Methanol Production via Sorption-Enhanced Reaction Process

To counter the equilibrium limitations in traditional methanol production from synthesis gas, a periodic and sorption-enhanced methanol synthesis process (SE-MeOH) with in situ removal of water byproduct is designed and optimized. A generalized reaction–adsorption modeling and simulation framework is coupled with a simulation-based constrained gray-box optimizer to obtain the optimal cycle configuration, design parameters, process specifications, and operating conditions. The best-case results indicate that SE-MeOH processes can break the barrier of the current limit of industrial methanol yield and improve it by 55–87% with a slight compromise (9–46%) on CH 3 OH production capacity. This trade-off is a result of periodic operation which is required for sorption enhancement. The techno-economic optimization of a base industrial reactor also leads to more than 7% improvement in methanol yield with only 2% decrease in production capacity while keeping the cost of syngas-to-methanol production competitive. The SE-MeOH system is further optimized through varying the feed specifications and number of reactor tubes. Furthermore, the results suggest that the synthesis gas composition, flow rate, and number of tubes are the major factors in determining methanol process performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Multi-physics Modeling of Radiative Heat Transfer and Fluid Flow for the Reactor Cavity Cooling System

High-temperature gas-cooled reactors (HTGRs) are notable for their high thermal efficiency and potential for combined heat and power applications. These reactors are particularly appealing due to their advanced passive safety features. HTGRs utilize passive safety systems that function without requiring active components like pumps or compressors during emergencies. These reactor designs depend on a Reactor Cavity Cooling System (RCCS) to manage decay heat removal from the reactor pressure vessel (RPV) during accident conditions. The RCCS consists of vertical rectangular channels known as "risers" or riser ducts positioned around the RPV. These risers receive heat from the RPV through both convective and radiative heat transfer mechanisms. Understanding the interplay of multiple physical phenomena, such as fluid dynamics, heat transfer, and neutron interactions, is essential for the effective design and operation of nuclear reactors, particularly for systems like the RCCS. Multi-physics simulations provide a comprehensive approach to studying these interactions, offering detailed insights and enhancing accuracy. They are especially important in RCCS designs, where the interaction between radiative and convective heat transfer can significantly impact system performance. By leveraging multi-physics simulations, complex reactor behaviors can be modeled without compromising the fidelity of the underlying physical processes. This work aims to establish a robust methodology for coupling multiple physical processes in an air-cooled RCCS. By focusing on validating this multi-physics approach, the study involves designing test cases that simulate various conditions to verify the numerical models employed. The outcomes of this research will provide critical insights for accurately modeling and optimizing complex nuclear systems like the RCCS.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

The need for carbon-emissions-driven climate projections in CMIP7

Abstract. Previous phases of the Coupled Model Intercomparison Project (CMIP) have primarily focused on simulations driven by atmospheric concentrations of greenhouse gases (GHGs), for both idealized model experiments and climate projections of different emissions scenarios. We argue that although this approach was practical to allow parallel development of Earth system model simulations and detailed socioeconomic futures, carbon cycle uncertainty as represented by diverse, process-resolving Earth system models (ESMs) is not manifested in the scenario outcomes, thus omitting a dominant source of uncertainty in meeting the Paris Agreement. Mitigation policy is defined in terms of human activity (including emissions), with strategies varying in their timing of net-zero emissions, the balance of mitigation effort between short-lived and long-lived climate forcers, their reliance on land use strategy, and the extent and timing of carbon removals. To explore the response to these drivers, ESMs need to explicitly represent complete cycles of major GHGs, including natural processes and anthropogenic influences. Carbon removal and sequestration strategies, which rely on proposed human management of natural systems, are currently calculated in integrated assessment models (IAMs) during scenario development with only the net carbon emissions passed to the ESM. However, proper accounting of the coupled system impacts of and feedback on such interventions requires explicit process representation in ESMs to build self-consistent physical representations of their potential effectiveness and risks under climate change. We propose that CMIP7 efforts prioritize simulations driven by CO2 emissions from fossil fuel use and projected deployment of carbon dioxide removal technologies, as well as land use and management, using the process resolution allowed by state-of-the-art ESMs to resolve carbon–climate feedbacks. Post-CMIP7 ambitions should aim to incorporate modeling of non-CO2 GHGs (in particular, sources and sinks of methane and nitrous oxide) and process-based representation of carbon removal options. These developments will allow three primary benefits: (1) resources to be allocated to policy-relevant climate projections and better real-time information related to the detectability and verification of emissions reductions and their relationship to expected near-term climate impacts, (2) scenario modeling of the range of possible future climate states including Earth system processes and feedbacks that are increasingly well-represented in ESMs, and (3) optimal utilization of the strengths of ESMs in the wider context of climate modeling infrastructure (which includes simple climate models, machine learning approaches and kilometer-scale climate models).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Density based topology optimization of turbulent flow heat transfer systems

The focus of this article is on topology optimization of heat sinks with turbulent forced convection. The goal is to demonstrate the extendibility, and the scalability of a previously developed fluid solver to coupled multi-physics and large 3D problems. The gradients of the objective and the constraints are obtained with the help of automatic differentiation applied on the discrete system without any simplifying assumptions. Thus, as demonstrated in earlier works of the authors, the sensitivities are exact to machine precision. The framework is applied to the optimization of 2D and 3D problems. Comparison between the simplified 2D setup and the full 3D optimized results is provided. A comparative study is also provided between designs optimized for laminar and turbulent flows. Overall, the comparisons highlight the importance and the benefits of full 3D optimization and including turbulence modeling in the optimization process, while also demonstrating extension of the methodology to include coupling of heat transfer with turbulent flows.

42 ENGINEERING↗
NASA NTRS2012

Impact of Land Model Calibration on Coupled Land-Atmosphere Prediction

Land-atmosphere (L-A) interactions play a critical role in determining the diurnal evolution of both planetary boundary layer (PBL) and land surface heat and moisture budgets, as well as controlling feedbacks with clouds and precipitation that lead to the persistence of dry and wet regimes. Recent efforts to quantify the strength of L-A coupling in prediction models have produced diagnostics that integrate across both the land and PBL components of the system. In this study, we examine the impact of improved specification of land surface states, anomalies, and fluxes on coupled WRF forecasts during the summers of extreme dry and wet land surface conditions in the U.S. Southern Great Plains. The improved land initialization and surface flux parameterizations are obtained through calibration of the Noah land surface model using the new optimization and uncertainty estimation subsystem in NASA's Land Information System (LIS-OPT/UE). The impact of the calibration on the a) spinup of the land surface used as initial conditions, and b) the simulated heat and moisture states and fluxes of the coupled WRF simulations is then assessed. Changes in ambient weather and land-atmosphere coupling are evaluated along with measures of uncertainty propagation into the forecasts. In addition, the sensitivity of this approach to the period of calibration (dry, wet, average) is investigated. Results indicate that the offline calibration leads to systematic improvements in land-PBL fluxes and near-surface temperature and humidity, and in the process provide guidance on the questions of what, how, and when to calibrate land surface models for coupled model prediction.

Santanello, Joseph A., Jr.↗
NASA NTRS2000

A Coupled Plasma-Sheath Model for High Density Sources

High density, low pressure plasmas are used for etching and deposition in microelectronics fabrication processes. The process characteristics are strongly determined by the ion energy distribution (IED) and the ion flux arriving at the substrate that are responsible for desorption of etch products and neutral dissociation at the surface. The ion flux and energy are determined by a self- consistent modeling of the bulk plasma, where the ions and the neutral radicals are produced, and the sheath, where the ions are accelerated. Due to their widely different time scales, it is a formidable task to self-consistently resolve non-collisional sheath in a high density bulk plasma model. In this work, we first describe a coupled plasma-sheath model that attempts to resolve the non-collisional sheath in a reactor scale model. Second, we propose a semianalytical radio frequency (RF) sheath model to improve ion dynamics.

Bose, Deepak↗
NASA NTRS1979

Simulation of liquid propellant rocket engine combustion instabilities

A simulation technique for studying the high frequency combustion instabilities of liquid propellant rocket engines has been developed and used to investigate various aspects of instability phenomena. Of importance was investigation of the significance of the method of coupling the combustion and the gas dynamics of the system. Two coupling processes were studied: linear response of the combustion process to pressure fluctuations, and the nature of the resulting instabilities; and nonlinear response of the combustion process to velocity fluctuations, and the nature of the resulting instabilities. For the combustion model studied, nonlinear (velocity) coupling was found to more closely characterize liquid propellant instabilities.

Ventrice, M. B.↗
DOE OSTI2022

Development of an MC&A toolbox for liquid-fueled molten salt reactors with online reprocessing (Final Report)

A critical barrier to the deployment of MSRs is the absence of a well-defined nuclear material control and accounting (MC&A) approach, a vital prerequisite to meet NRC licensing requirements as well as facilitating future international exports. Liquid-fueled MSR variants (especially those incorporating online refueling or reprocessing) present a unique set of challenges to traditional nuclear material control and accountancy. Unlike solid-fueled light-water reactors, traditional item-counting methods cannot be applied as an accountancy strategy. Rather, MC&A approaches to MSR variants (including both uranium and thorium fueled designs) are more analogous to bulk material handling facilities (e.g., enrichment and reprocessing); yet further complicating matters is the fact that fuel medium is also highly radioactive. Meanwhile, the space of MSRs covers a broad range of design parameters, including thermal and fast spectra designs; operation in actinide breeder or burner modes, choice of actinide fuel used (e.g., 235 U, 232 Th / 233 U, denatured 233 U, etc.), pool or loop-type configuration, and even different salt chemistry. Each of these design choices introduce significant challenges to MC&A approaches within MSR facilities. We propose to bridge this gap for liquid-fueled MSRs by developing a modular, component-based test framework for evaluating viable process monitoring and MC&A techniques specifically suited to liquid-fueled MSR system variants employing online refueling or reprocessing. This test platform will consist of a toolbox of independent process modules representing discrete physical units (such as the reactor core, off-gas processing, decay tanks, and actinide separation units), each with its own self-contained physics responsive to the input mass flow, along with appropriate measurement models that can be coupled to key flow points. These dynamic physical signatures thus afford the ability to test the viability and efficacy of potential accountancy techniques under the full range of reactor operating conditions. As process modules are connected via mass flows, the result is a reconfigurable, generic MSR mass flow model capable of serving as an MC&A test platform for a broad spectrum of possible MSR configurations. The resulting MSR MC&A toolbox will enable robust assessment of accountancy strategies for this unique facility type, including analysis of physical feedbacks arising both from depletion of the fuel over time as well as from potential off-normal events, including those introduced by equipment failures (e.g., a pump failure) as well as by malicious action (i.e., attempts to divert material). The proposed toolbox both addresses a critical needs area for the MPACT analysis toolkit while leveraging existing MPACT-sponsored tools, especially with respect to simulation of measurement and accountancy techniques for advanced fuel cycle facilities. Beyond enabling new analysis capabilities for MSR systems, the design of this toolbox will be to such to maximize compatibility with existing MPACT tools, such to enhance existing facility MC&A analysis capabilities.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

AMPPED LDRD: Advanced Models of the Physics & Phenomena of Electrical Discharge.

This Laboratory Directed Research and Development (LDRD) project aimed at addressing an unmet need for physics-based models that enable prediction of electrical breakdown in the presence of high voltage gradients and real-world environments. This project focused on understanding coupled plasma-surface feedback phenomena critical to electrical discharge processes and design of breakdown voltages, breakdown times, and breakdown paths. New secondary electron emission and coupled plasma-surface measurement methods and models were developed. Highly reproducible discharge experiments were developed to provide current-voltage data as a function of time, and methods were developed to condition electrodes for predictable discharge. To assess plasma-surface feedback mechanisms, new surface physics capabilities, including measurement systems for local and global photoemission yield and ion-induced secondary electron emission yield were developed. Discharge models were developed to incorporate these yields for predicting discharge behavior to understand influence of surface physics on discharge current and time evolution, and methods to accelerate these simulations were demonstrated. A key finding was that the initiation process of a non-vacuum discharge appears highly dependent on photoemission at the cathode. Advanced diagnostics were developed, including spatial electrical field imaging, spectroscopy of plasmas, and high-speed imaging of discharge event s in metal and dielectric environments. These diagnostics and improved electrical models are a step toward enabling quantitative design margins, assurance of safety architectures, and implementation of novel materials and technologies for wide ranging energy and electronics applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2017

Observations, Modeling, and Predictions of Solar Activity From the Deep Interior to the Corona

Solar activity is a manifestation of magnetic self-organization processes that involve complex dynamical coupling of various layers of the Sun acting over a broad range of spatial and temporal scales. Synergy of observational, theoretical, and modeling efforts is key to understanding solar activity variation, dynamics, and evolution and to developing reliable physics-based forecasts of long-term solar cycles and short-term activity manifestations, “seasons of solar activity”, such as periods of enhanced flaring and CME activity. The session welcomes observers, modelers, and theoreticians to share their results and ideas and to discuss current challenges, development of emerging fields (such as data assimilation), and the analysis of historical and modern observational data using theoretical modeling, interpretations, and predictions.

Deep Interior↗