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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 1,657 records · Page 92
All sourcesNASA NTRSDOE OSTI
NASA NTRS1983

A potential-energy scaling model to simulate the initial stages of thin-film growth

A solid on solid (SOS) Monte Carlo computer simulation employing a potential energy scaling technique was used to model the initial stages of thin film growth. The model monitors variations in the vertical interaction potential that occur due to the arrival or departure of selected adatoms or impurities at all sites in the 400 sq. ft. array. Boltzmann ordered statistics are used to simulate fluctuations in vibrational energy at each site in the array, and the resulting site energy is compared with threshold levels of possible atomic events. In addition to adsorption, desorption, and surface migration, adatom incorporation and diffusion of a substrate atom to the surface are also included. The lateral interaction of nearest, second nearest, and third nearest neighbors is also considered. A series of computer experiments are conducted to illustrate the behavior of the model.

Heinbockel, J. H.↗
DOE OSTI2016

Geologic Modeling and Simulation Report for the Aquistore Project

In this update, a regional-scale model extends beyond the 34-square-kilometer PTRC 3-D seismic survey area. A local grid refinement (LGR) system near both the injection and observation wells was introduced for the history-matching and uncertainty analysis. Spinner log survey and pressure test data provided by partners were used and evaluated to adjust the nearwellbore local permeability in order to history-match the field pressure data. As of January 9, 2016, approximately 24,000 tonnes of CO 2 has been injected during a series of relatively short operating periods. However, the injection rate during these short operating periods increased near the end of year 2015 to a level of 300 to 500 tonnes per day, based on the quantity of CO 2 made available from the pipeline.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1983

Development of a distributed-parameter mathematical model for simulation of cryogenic wind tunnels

A one-dimensional distributed-parameter dynamic model of a cryogenic wind tunnel was developed which accounts for internal and external heat transfer, viscous momentum losses, and slotted-test-section dynamics. Boundary conditions imposed by liquid-nitrogen injection, gas venting, and the tunnel fan were included. A time-dependent numerical solution to the resultant set of partial differential equations was obtained on a CDC CYBER 203 vector-processing digital computer at a usable computational rate. Preliminary computational studies were performed by using parameters of the Langley 0.3-Meter Transonic Cryogenic Tunnel. Studies were performed by using parameters from the National Transonic Facility (NTF). The NTF wind-tunnel model was used in the design of control loops for Mach number, total temperature, and total pressure and for determining interactions between the control loops. It was employed in the application of optimal linear-regulator theory and eigenvalue-placement techniques to develop Mach number control laws.

Tripp, J. S.↗
NASA NTRS2011

A Short Review of Ablative-Material Response Models and Simulation Tools

A review of the governing equations and boundary conditions used to model the response of ablative materials submitted to a high-enthalpy flow is proposed. The heritage of model-development efforts undertaken in the 1960s is extremely clear: the bases of the models used in the community are mathematically equivalent. Most of the material-response codes implement a single model in which the equation parameters may be modified to model different materials or conditions. The level of fidelity of the models implemented in design tools only slightly varies. Research and development codes are generally more advanced but often not as robust. The capabilities of each of these codes are summarized in a color-coded table along with research and development efforts currently in progress.

Lachaud, Jean↗
NASA NTRSDate not supplied

Modeling and simulation of space-based entanglement distribution

In this talk we present a model for analyzing space-based entanglement distribution links. In particular, we analyze deterministic entanglement distribution links relevant to quantum communication applications where all communication nodes must be synchronized with deterministic photon arrival times. The focus is on systems operating within practical limitations set by current technology. The architectures studied in this work are based on all-photonic links with probabilistic (memory-less) entanglement swapping used to signal the success of the entanglement distribution without destroying the entangled state. An end-to-end link model is described which accounts for satellite orbital mechanics as well as the physical effects of entangled photon pair sources, space-to-ground atmospheric channels, two-photon interference, pointing and tracking, and photon counting detectors with and without photon number resolution (this is joint work with Robert Manning, Ian Nemitz, and Bryan Welch).

quantum communication↗
NASA NTRS1985

Generalized math model for simulation of high-altitude balloon systems

Balloon systems have proved to be a cost-effective means for conducting research experiments (e.g., infrared astronomy) in the earth's atmosphere. The purpose of this paper is to present a generalized mathematical model that can be used to simulate the motion of these systems once they have attained float altitude. The resulting form of the model is such that the pendulation and spin motions of the system are uncoupled and can be analyzed independently. The model is evaluated by comparing the simulation results with data obtained from an actual balloon system flown by NASA.

Nigro, N. J.↗
DOE OSTI2020

A new soil mixing layer model for simulating conservative solute loss from initially saturated soil to surface runoff

Surface water pollution due to solute loss from soil to surface runoff is a serious threat to the environment, and it is of great significance to predict the solute loss. While soil mixing layer theory has been widely used to predict the solute loss, it has been observed that the conventional soil mixing layer models with constant mixing layer depth underestimate solute concentration in surface runoff, and thus underestimate the solute loss after surface runoff starts. This study introduced a new soil mixing layer model with a new concept that the mixing layer depth increases downward with time after surface runoff occurs. This new concept was implemented by adding a mixing front between the soil mixing layer and its underlying soil layer, which is conceptually similar to the wetting front of soil infiltration given by the Green-Ampt equation. This is equivalent to treating the soil mixing layer as a deforming control volume. A mechanistic explanation for the new model was presented. This study also developed a closed form solution of the new model. The new model was evaluated by simulating five laboratory experiments conducted by two groups of researchers. The first two experiments have ponding water, and consider different drainage and runoff conditions at both early and late runoff times. The other three experiments do not have ponding water, and consider different infiltration conditions at the bottom of soil boxes. Simulation results of the five experiments show that the new model resolves the underestimation problem of conventional soil mixing layer models. The new model is subject to a total of six limits such as that the new model only considers conservative solute. Three limits are related to the assumptions used to derive the closed form solution, and they may be alleviated in a future research as briefly discussed at the end of the paper.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Cluster-dynamics-based parameterization for sulfuric acid–dimethylamine nucleation: comparison and selection through box and three-dimensional modeling

Clustering of gaseous sulfuric acid (SA) enhanced by dimethylamine (DMA) is a major mechanism for new particle formation (NPF) in polluted atmospheres. However, uncertainty remains regarding the SA–DMA nucleation parameterization that reasonably represents cluster dynamics and is applicable across various atmospheric conditions. This uncertainty hinders accurate three-dimensional (3-D) modeling of NPF and the subsequent assessment of its environmental and climatic impacts. Here we extensively compare different cluster-dynamics-based parameterizations for SA–DMA nucleation and identify the most reliable one through a combination of box model simulations, 3-D modeling, and in situ observations. Results show that the parameterization derived from Atmospheric Cluster Dynamic Code (ACDC) simulations, incorporating the latest theoretical insights (DLPNO-CCSD(T)/aug-cc-pVTZ//ωB97X-D/6-311++G(3df,3pd) level of theory) and adequate representation of cluster dynamics, exhibits dependable performance in 3-D NPF simulation for both winter and summer conditions in Beijing and shows promise for application in diverse atmospheric conditions. Another ACDC-derived parameterization, replacing the level of theory with RI-CC2/aug-cc-pV(T+d)Z//M06-2X/6–311++G(3df,3pd), also performs well in NPF modeling at relatively low temperatures around 280 K but exhibits limitations at higher temperatures due to inappropriate representation of SA–DMA cluster thermodynamics. Additionally, a previously reported parameterization incorporating simplifications is applicable for simulating NPF in polluted atmospheres but tends to overestimate particle formation rates under conditions of elevated temperature (>∼300 K) and low-condensation sink (<∼3×10 -3 s −1 ). Our findings highlight the applicability of the new ACDC-derived parameterization, which couples the latest SA–DMA nucleation theory and holistic cluster dynamics, in 3-D NPF modeling. The ACDC-derived parameterization framework provides a valuable reference for developing parameterizations for other nucleation systems.

Shen, Jiewen↗
NASA NTRS2015

Far-Field Acoustic Power Level and Performance Analyses of F31/A31 Open Rotor Model at Simulated Scaled Takeoff, Nominal Takeoff, and Approach Conditions: Technical Report I

Far-field acoustic power level and performance analyses of open rotor model F31/A31 have been performed to determine its noise characteristics at simulated scaled takeoff, nominal takeoff, and approach flight conditions. The nonproprietary parts of the data obtained from experiments in 9- by 15-Foot Low-Speed Wind Tunnel (915 LSWT) tests were provided by NASA Glenn Research Center to perform the analyses. The tone and broadband noise components have been separated from raw test data by using a new data analysis tool. Results in terms of sound pressure levels, acoustic power levels, and their variations with rotor speed, angle of attack, thrust, and input shaft power have been presented and discussed. The effect of an upstream pylon on the noise levels of the model has been addressed. Empirical equations relating model's acoustic power level, thrust, and input shaft power have been developed. The far-field acoustic efficiency of the model is also determined for various simulated flight conditions. It is intended that the results presented in this work will serve as a database for comparison and improvement of other open rotor blade designs and also for validating open rotor noise prediction codes.

Prop-Fan Technology↗
DOE OSTI2023

Constructing a Simulation Surrogate with Partially Observed Output

Gaussian process surrogates are a popular alternative to directly using computationally expensive simulation models. When the simulation output consists of many responses, dimension-reduction techniques are often employed to construct these surrogates. However, surrogate methods with dimension reduction generally rely on complete output training data. This article proposes a new Gaussian process surrogate method that permits the use of partially observed output while remaining computationally efficient. The new method involves the imputation of missing values and the adjustment of the covariance matrix used for Gaussian process inference. The resulting surrogate represents the available responses, disregards the missing responses, and provides meaningful uncertainty quantification. In conclusion, the proposed approach is shown to offer sharper inference than alternatives in a simulation study and a case study where an energy density functional model that frequently returns incomplete output is calibrated.

42 ENGINEERING↗
DOE OSTI2018

Three-dimensional model of intracellular and intercellular Ca2+ waves propagation in endothelial cells

Highlights: • Image-based 3D simulation model for intercellular and intracellular Ca{sup 2+} waves. • Metabolic reactions were divided into membrane and cytoplasm domains. • Ca{sup 2+} and IP{sub 3} diffused across the cell and gap junctions. • Ca{sup 2+} waves are propagated from focal stimulated point in numerical simulation. • Ca{sup 2+} wave speed was in agreement with those from cell culture experiments. Intracellular and intercellular Ca{sup 2+} waves play key roles in cellular functions, and focal stimulation triggers Ca{sup 2+} wave propagation from stimulation points to neighboring cells, involving localized metabolism reactions and specific diffusion processes. Among these, inositol 1,4,5-trisphosphate (IP{sub 3}) is produced at membranes and diffuses into the cytoplasm to release Ca{sup 2+} from endoplasmic reticulum (ER). In this study, we developed a three-dimensional (3D) simulation model for intercellular and intracellular Ca{sup 2+} waves in endothelial cells (ECs). 3D model of 2 cells was reconstructed from confocal microscopic images and was connected via gap junctions. Cells have membrane and cytoplasm domains, and metabolic reactions were divided into each domain. Finally, the intracellular and intercellular Ca{sup 2+} wave propagations were induced using microscopic stimulation and were compared between numerical simulations and experiments. The experiments showed that initial sharp increases in intracellular Ca{sup 2+} occurred approximately 0.3 s after application of stimuli. In addition, Ca{sup 2+} wave speeds remained constant in cells, with intracellular and intercellular speeds of approximately 35 and 15 μm/s, respectively. Simulations indicated initial increases in Ca{sup 2+} concentrations at points of stimulation, and these were then propagated across stimulated and neighboring cells. In particular, initial rapid increases in intracellular Ca{sup 2+} were delayed and subsequent intracellular and intercellular Ca{sup 2+} wave speeds were approximately 25 and 12 μm/s, respectively. Simulation results were in agreement with those from cell culture experiments, indicating the utility of our 3D model for investigations of intracellular and intercellular messaging in ECs.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Conceptual and Mathematical Foundation for the FE/NETL CO 2 Prophet Model for Simulating CO 2 Enhanced Oil Recovery, Version 2

The United States (U.S.) Department of Energy (DOE) Office of Fossil Energy (FE) at the National Energy Technology Laboratory (NETL) has developed the FE/NETL CO 2 Prophet Model, which is Version 2 of CO 2 Prophet. This document describes the mathematical foundation for the FE/NETL CO 2 Prophet Model. CO 2 Prophet was originally developed in the 1990s by Texaco Exploration and Production and Technology Department for DOE. The FE/NETL CO 2 Prophet Model is an oil reservoir simulator that is suitable for simulating water floods and supercritical carbon dioxide (CO 2 ) enhanced oil recovery (EOR). The FE/NETL CO 2 Prophet Model uses a number of assumptions to simplify the equations describing the flow of oil, water (or brine), and CO 2 in the oil reservoir.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS2020

Simulation and Modeling of Cold-Wall Hypersonic Turbulent Boundary Layers on Flat Plate

Direct numerical simulations (DNS) of flat-plate, zero-pressure-gradient turbulent boundary layers are presented for nominal freestream Mach numbers of 11 and 14 and a highly cooled wall (wall-to-recovery temperature of approximately 0.2). The flow conditions of the DNS are representative of the experimental data for a Mach 11.1 turbulent boundary layer on a flat plate that was tested at Calspan–University of Buffalo Research Center (CUBRC) and the operational conditions of the AEDC Hypervelocity Tunnel No. 9 at Mach 14. The wall shear stress and turbulent heat flux predicted by DNS show good comparisons with those measured at CUBRC and those modeled with a Baldwin-Lomax model. The generated DNS database extends the range of Reynolds numbers from those typical of previous DNS studies for hypersonic boundary-layer flows and confirms the validity of Morkovin’s hypothesis within the relatively broader range of Reynolds numbers considered in this study. A priori assessment of turbulent heat flux models with DNS data shows that the algebraic energy flux (AEF) formulation gives better predictions of the streamwise turbulent heat flux than the commonly used constant turbulent Prandtl number model while both models give similarly good predictions of the wall-normal turbulent heat flux. A posteriori assessment shows that the AEF model improves the prediction of the temperature profiles while keeping a good prediction of the velocity field.

Junji Huang↗
DOE OSTI2025

Combining geometric-optical and spectral invariants theories for modeling canopy fluorescence anisotropy

The spectral invariants theory ( p -theory) has received much attention in the field of quantitative remote sensing over the past few decades and has been adopted for modeling of canopy solar-induced chlorophyll fluorescence (SIF). However, the spectral invariant properties (SIP) in simple analytical formulae have not been applied for modeling canopy fluorescence anisotropy primarily because they are parameterized in terms of leaf total scattering, which precludes the differentiation between forward and backward leaf SIF emissions. In this study, we have developed the canopy-SIP SIF model by combining geometric-optical (GO) theory to account for asymmetric leaf SIF forward and backward emissions at the first-order scattering and by modeling multiple scattering based on the p-theory, thus avoiding the dependence on radiative transfer models. The applicability of the model simulations especially over 3D heterogeneous canopies was improved by incorporating canopy structure through multi-angular clumping index, and by modeling single scattering from the four components of the scene in view according to the GO approach. The results show good consistency with both the state-of-the-art SIF models and multi-angular field SIF observations over grass and chickpea canopies. Further, the coefficient of determination (R²) between the simulated SIF and field measurements was 0.75 (red) and 0.74 (far-red) for chickpea, and 0.65 (both red and far-red) for grass. The average relative error was approximately 3% for 1D homogeneous scenes when comparing the canopy-SIP SIF model simulations to the SCOPE model simulations, and around 4% for the 3D heterogeneous scene when comparing to the LESS model simulations. The results indicate that the proposed approach for separating asymmetric leaf SIF emissions is a robust way to keep a balance between satisfactory simulation accuracy and efficiency. Model simulations suggest that neglecting the leaf SIF asymmetry can lead to an underestimation of canopy red SIF by 6.3% to 42.6% for various leaf biochemical and canopy structural parameters. This study presents a simple but efficient analytical approach for canopy fluorescence modeling, with potential for large-scale canopy fluorescence simulations.

3D heterogeneous structure↗
DOE OSTI2013

Utilization of municipal wastewater for cooling in thermoelectric power plants

A process simulation model has been developed using Aspen Plus® with the OLI (OLI System, Inc.) water chemistry model to predict water quality in the recirculating cooling loop utilizing secondary- and tertiary-treated municipal wastewater as the source of makeup water. Simulation results were compared with pilot-scale experimental data on makeup water alkalinity, loop pH, and ammonia evaporation. The effects of various parameters including makeup water quality, salt formation, NH 3 and CO 2 evaporation mass transfer coefficients, heat load, and operating temperatures were investigated. The results indicate that, although the simulation model can capture the general trends in the loop pH, experimental data on the rates of salt precipitation in the system are needed for more accurate prediction of the loop pH. It was also found that stripping of ammonia and carbon dioxide in the cooling tower can influence the cooling loop pH significantly. The effects of the NH 3 mass transfer coefficient on cooling loop pH appear to be more significant at lower values (e.g., k NH3 < 4×10 -3 m/s) when the makeup water alkalinity is low (e.g., <90 mg/L as CaCO 3 ). The effect of the CO2 mass transfer coefficient was found to be significant only at lower alkalinity values (e.g., k CO2 <4×10 -6 m/s).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS2020

Modeling and Simulation - Virtual

The purpose of this report is to describe the body of work I have produced as a NASA Office of Science Technology Engineering and Math (OSTEM) intern in the Fall 2020 semester. My mentor during this session was Antonio Pego and my main task was to research and develop solutions in augmented and virtual reality technologies for use in training simulations. A main focus of this project was the development of human models for use in the game engine, with the purpose of creating simulations that would help with realistic analysis of tasks that will be performed by personnel. A steep learning curve had to be tackled in order to learn and catch up with current MR technologies. Along the way I created documentation of the different techniques utilized to support future continuation of the project.

Peter Leroy Santana Rodriguez↗