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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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

An interactive approach to surface-fitting complex geometries for flowfield applications

Numerical flowfield methods require a geometry subprogram which can calculate body coordinates, slopes, and radii of curvature for typical aircraft and spacecraft configurations. The objective of this paper is to develop a new surface-fitting technique which addresses two major problems with existing geometry packages: computer storage requirements and the time required of the user for the initial set-up of the geometry model. In the present method, coordinates of cross sections are fit in a least-squares sense using segments of general conic sections. After fitting each cross section, the next step is to blend the cross-sectional curve-fits in the longitudinal direction using general conics to fit specific meridional half-planes. For the initial setup of the geometry model, an interactive, completely menu-driven computer code has been developed to allow the user to make modifications to the initial fit for a given cross section or meridional cut. Graphic displays are provided to assist the user in the visualization of the effect of each modification. The completed model may be viewed from any angle using the code's three-dimensional graphics package. Geometry results for the modeling of the Space Shuttle and a proposed Aeroassist Flight Experiment (AFE) geometry are presented, in addition to calculated heat-transfer rates based on these models.

Dejarnette, Fred R.↗
DOE OSTI2025

The role of the droplet interface in controlling the multiphase oxidation of thiosulfate by ozone

Predicting reaction kinetics in aqueous microdroplets, including aerosols and cloud droplets, is challenging due to the probability that the underlying reaction mechanism can occur both at the surface and in the interior of the droplet. Additionally, few studies directly measure the surface activities of doubly charged anions, despite their prevalence in the atmosphere. Here, deep-UV second harmonic generation spectroscopy is used to probe surface affinities of the doubly charged anions thiosulfate, sulfate, and sulfite, key species in the thiosulfate ozonation reaction mechanism. Thiosulfate has an appreciable surface affinity with a measured Gibbs free energy of adsorption of -7.3 ± 2.5 kJ mol -1 in neutral solution, while sulfate and sulfite exhibit negligible surface propensity. The Gibbs free energy is combined with data from liquid flat jet ambient pressure X-ray photoelectron spectroscopy to constrain the concentration of thiosulfate at the surface in our model. Stochastic kinetic simulations leveraging these novel measurements show that the primary reaction between thiosulfate and ozone occurs at the interface and in the bulk, with the contribution of the interface decreasing from ~65% at pH 5 to ~45% at pH 13. Additionally, sulfate, the major product of thiosulfate ozonation and an important species in atmospheric processes, can be produced by two different pathways at pH 5, one with a contribution from the interface of >70% and the other occurring predominantly in the bulk (>98%). The observations in this work have implications for mining wastewater remediation, atmospheric chemistry, and understanding other complex reaction mechanisms in multiphase environments. Future interfacial or microdroplet/aerosol chemistry studies should carefully consider the role of both surface and bulk chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1989

The role of thermal and lubricant boundary layers in the transient thermal analysis of spur gears

An improved convection heat-transfer model has been developed for the prediction of the transient tooth surface temperature of spur gears. The dissipative quality of the lubricating fluid is shown to be limited to the capacity extent of the thermal boundary layer. This phenomenon can be of significance in the determination of the thermal limit of gears accelerating to the point where gear scoring occurs. Steady-state temperature prediction is improved considerably through the use of a variable integration time step that substantially reduces computer time. Computer-generated plots of temperature contours enable the user to animate the propagation of the thermal wave as the gears come into and out of contact, thus contributing to better understanding of this complex problem. This model has a much better capability at predicting gear-tooth temperatures than previous models.

El-Bayoumy, L. E.↗
NASA NTRS1989

The role of thermal and lubricant boundary layers in the transient thermal analysis of spur gears

An improved convection heat-transfer model has been developed for the prediction of the transient tooth surface temperature of spur gears. The dissipative quality of the lubricating fluid is shown to be limited to the capacity extent of the thermal boundary layer. This phenomenon can be of significance in the determination of the thermal limit of gears accelerating to the point where gear scoring occurs. Steady-state temperature prediction is improved considerably through the use of a variable integration time step that substantially reduces computer time. Computer-generated plots of temperature contours enable the user to animate the propagation of the thermal wave as the gears come into and out of contact, thus contributing to better understanding of this complex problem. This model has a much better capability at predicting gear-tooth temperatures than previous models.

El-Bayoumy, L. E.↗
DOE OSTI2020

FFT-based solver for higher-order and multi-phase-field fracture models applied to strongly anisotropic brittle materials

This paper presents the application of a fast Fourier transform (FFT) based method to solve two phase field models designed to simulate crack growth of strongly anisotropic materials in the brittle regime. By leveraging the ability of the FFT-based solver to generate solutions with higher-order and global continuities, we design two simple algorithms to capture the complex fracture patterns (e.g. sawtooth, and curved crack growth) common in materials with strongly anisotropic surface energy via the multi-phase-field and high-order phase-field frameworks. A staggered operator-split solver is used where both the balance of linear momentum and the phase field governing equations are formulated in the periodic domain. The unit phase field of the initial failure region is prescribed by the penalty method to alleviate the sharp material contrast between the initial failure region and the base material. The discrete frequency vectors are generalized to estimate the second and fourth order gradients such that the Gibbs effect near shape interfaces or jump conditions can be suppressed. Furthermore, a preconditioner is adopted to improve the convergence rate of the iterative linear solver. Three numerical experiments are used to systematically compare the performance of the FFT-based method in the multi-phase-field and high-order phase-field frameworks.

42 ENGINEERING↗
DOE OSTI2024

Efficient learning of accurate surrogates for simulations of complex systems

Machine learning methods are increasingly deployed to construct surrogate models for complex physical systems at a reduced computational cost. However, the predictive capability of these surrogates degrades in the presence of noisy, sparse or dynamic data. Here, we introduce an online learning method empowered by optimizer-driven sampling that has two advantages over current approaches: it ensures that all local extrema (including endpoints) of the model response surface are included in the training data, and it employs a continuous validation and update process in which surrogates undergo retraining when their performance falls below a validity threshold. We find, using benchmark functions, that optimizer-directed sampling generally outperforms traditional sampling methods in terms of accuracy around local extrema even when the scoring metric is biased towards assessing overall accuracy. Finally, the application to dense nuclear matter demonstrates that highly accurate surrogates for a nuclear equation-of-state model can be reliably autogenerated from expensive calculations using few model evaluations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

In situ ambient pressure XPS study of Pt/Cu(111) single-atom alloy in catalytically relevant reaction conditions

The presence of multiple reactant gases as well as reaction intermediates in a heterogeneous catalytic reaction results in a complex interaction between different components of the catalyst with each gas, which can alter the surface and chemical state of the catalyst differently than in the presence of an individual gas alone. In this study, we used in situ ambient pressure x-ray photoelectron spectroscopy to study the surface state of Pt/Cu(111) single-atom alloy model system in two catalytically relevant reaction conditions: CO 2 hydrogenation and CO oxidation. We found that the activation of CO 2 results in the formation of CO, which adsorbs on Pt sites at up to 400 K. In the presence of CO 2 and H 2 , Pt catalyzes the reverse water–gas shift reaction, which produces more CO and further stabilizes surface Pt atoms at 450 K. On the other hand, in CO oxidation condition, the presence of O 2 results in the formation of a thick Cu 2 O layer at higher temperatures, and Pt atoms are no longer detected in the surface and subsurface layers. When O 2 is introduced to the sample before CO, the formation of a complete Cu 2 O layer that covers all Pt atoms occurs immediately at room temperature. Finally, however, when CO is introduced at room temperature before O 2 , the presence of adsorbed CO on Pt sites stabilizes the surface Pt atoms and prevents the formation of a complete Cu 2 O layer, thus exposing the Pt atoms in 'holes' in the Cu 2 O layer.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Literature Review on the Theory and Measurement of Dry Sliding Friction of Metals

Understanding the friction behavior between two sliding bodies can inform the design of machines, processing of materials, and simulation of dynamic processes. Kinetic friction is a complex phenomenon that depends on a multitude of factors such as sliding velocity, normal force, contact area, surface roughness, material properties, lubrication conditions, and thermal effects. This literature review covers the major known effects of sliding velocity, normal load, and surface roughness on the measured kinetic friction coefficient in the context of microscopic friction phenomena. Classic macroscale friction models are reviewed to illustrate approaches for simulating friction behavior. Prominent experimental friction setups within the literature are discussed with respect to achievable velocity and pressure regimes. The background information gathered here will be used to inform experimental procedures and modeling strategies of the exploratory research (ER) project titled “Measurement of Dynamic Friction via Kolsky Bar” (20200418ER).

36 MATERIALS SCIENCE↗
DOE OSTI2021

Toward Hybrid Physics-Machine Learning to improve Land Surface Model predictions

A critical challenge for Land Surface Models (LSMs) is to simulate processes at the surface and the subsurface and their feedbacks to the atmosphere. Even using the same climate forcings, different LSMs predict different surface fluxes and soil moisture conditions due to differences in the formulations of individual processes, parameterizations, and representation of spatial heterogeneity. Ultimately, these differences contribute to the LSM prediction errors and uncertainty. This research seeks to address this challenge by coupling physics-based modeling with state-of-the-art machine learning (ML) techniques to describe complex physical and biogeochemical processes and narrow the gap between model predictions and observations.

58 GEOSCIENCES↗
DOE OSTI2022

Distributed Real-time Plume Monitoring for Deep Sea Mineral Extraction​

In the emerging industry of deep-sea mining for minerals and deposits (e.g. polymetallic nodules for nickel, cobalt, copper, and manganese), more data is required to understand the effects of sediment plume generation and predict the distribution of disturbed sediment. There are two main sources of plume generation, the first being at the active mining site where the “collector” directly removes the top layer of the sea floor. The other is the “midwater plume” consisting of unwanted sediment that was collected during extraction that is pumped back into the aphotic zone. The vast majority of plume generation is caused by the collector, causing detrimental and long-lasting impacts on seafloor ecosystems due to the lack of wave activity or strong currents at the sea floor. Therefore, it is crucial to invest in the infrastructure to support the study and constant monitoring over a large area of the sea floor where plume generation is present. Due to the limited number of usable channels and power requirements, current subsea wireless communications technologies are not well suited to instrumenting the large areas of the sea floor needed to monitor plume migration. The scope of this effort is to transition experimental demonstrations of high-bandwidth, full-duplex scalable underwater laser communications to the seafloor in an open ocean environment. Specifically tackling challenges associated with the dynamic nature of the subsea world, including but not limited to, deployment logistics, sustainability, and range. The goal is to enable the internet of underwater things for deep sea industries by broadening the capabilities of subsea communications. By using high-precision laser transmitters, many of the challenges current subsea optical systems face can be circumvented, such as power consumption, interference, and bandwidth limitations. This approach lends itself to wireless interlinking multi-node networks, in series or parallel, facilitating the implementation of a wide array of sensor types. This interlinking allows all the data gathered from the network to be processed through a single hardline uplink to the surface, lowering the complexity required for near real-time data processing. Additionally, the laser control systems produce metadata that can be used to help characterize the water column between the nodes. Combining data from various sensors such as turbidity, temperature, current velocity with metadata such as beam attenuation and deflection can produce a high-resolution model of sea floor conditions around an active mining zone. The resulting near real-time model can be used to optimize location and flow rate of the mining operation to minimize and quantify the environmental impact.

Mons, Ishan↗
NASA NTRS1977

Comment on the relation between the nonadiabatic coupling and the complex intersection of potential energy curves

Simple relations are discussed that provide a correspondence between the complex intersection of two potential surfaces and the nonadiabatic coupling matrix element between those surfaces. These are key quantities in semiclassical and quantum-mechanical theories of collision-induced electronic transitions. Within the two-state approximation, the complex intersection is shown to be directly related to the location and magnitude of the peak in the nonadiabatic coupling. Two cases have been considered: (1) the avoided crossing between two potential surfaces, and (2) the spin-orbit interaction due to a 2P halogen atom. Comparisons are made between the results of the two-state model and the results of ab initio quantum chemical calculations.

Jaffe, R. L.↗
NASA NTRS2016

Assessment of Aerosol Optical Property and Radiative Effect for the Layer Decoupling Cases over the Northern South China Sea During the 7-SEAS Dongsha Experiment

The aerosol radiative effect can be modulated by the vertical distribution and optical properties of aerosols, particularly when aerosol layers are decoupled. Direct aerosol radiative effects over the northern South China Sea (SCS) were assessed by incorporating an observed data set of aerosol optical properties obtained from the Seven South East Asian Studies (7-SEAS)/Dongsha Experiment into a radiative transfer model. Aerosol optical properties for a two-layer structure of aerosol transport were estimated. In the radiative transfer calculations, aerosol variability (i.e., diversity of source region, aerosol type, and vertical distribution) for the complex aerosol environment was also carefully quantified. The column-integrated aerosol optical depth (AOD) at 500nm was 0.1-0.3 for near-surface aerosols and increased 1-5 times in presence of upper layer biomass-burning aerosols. A case study showed the strong aerosol absorption (single-scattering albedo (omega) approx. = 0.92 at 440nm wavelength) exhibited by the upper layer when associated with predominantly biomass-burning aerosols, and the omega (approx. = 0.95) of near-surface aerosols was greater than that of the upper layer aerosols because of the presence of mixed type aerosols. The presence of upper level aerosol transport could enhance the radiative efficiency at the surface (i.e., cooling) and lower atmosphere (i.e., heating) by up to -13.7 and +9.6W/sq m2 per AOD, respectively. Such enhancement could potentially modify atmospheric stability, can influence atmospheric circulation, as well as the hydrological cycle over the tropical and low-latitude marginal northern SCS.

biomass burning↗
DOE OSTI2024

Flashback characterization of additively manufactured swirl-stabilized fuel injector with varying surface roughness

This work investigates the effects of as-built surface roughness on the flashback propensity in additively manufactured (AM) swirl-stabilized lean premixed (LPM) fuel injectors. Adoption of AM for rapid prototyping and fabrication of complex fuel-flexible injector designs requires investigating surface roughness effects on the flow and flame stability characteristics of the combustor. Wall roughness increases the near-wall shear, which could alter the boundary layer structure and change the propensity for flame flashback. Accounting for the realistic as-built surface roughness is crucial in carrying out computational modeling and experimental analysis to establish a feedback loop for the precision designing of fuel-flexible injectors. The presented numerical analysis of as-built AM injector is an essential consideration to optimize injector design for aerodynamics and additive manufacturability.

Mohanty, Pratikshya↗
NASA NTRS2022

Recommended Direct Simulation Monte Carlo Collision Model Parameters for Reacting Methane Flows

While hydrocarbon combustion and gas-surface interactions have been simulated for a variety of applications in continuum solvers, such processes have been rarely investigated in Direct Simulation Monte Carlo (DSMC). Thus Variable Hard/Soft Sphere (VHS/VSS)collision parameters are not available for most molecules of interest in the decomposition of methane, a significant pyrolysis gas product and potential atmospheric species for Titan re-entries. As these properties are essential for accurate modeling of gas transport and thermochemical effects, a method must be devised to compute them for use in DSMC. In this study, the methodology outlined in Stephani et al is utilized to compute the VHS/VSS parameters by fitting the Ω(1,1)and Ω(2,2) collision integrals [1]. These collision integrals are typically computed from intermolecular potentials and are used in CFD simulations to calculate transport properties such as viscosity, thermal conductivity, and diffusion. This approach ensures consistency between micro-scale collisions and macro-scale transport properties. To produce the necessary collision integrals needed for the fitting routine, we utilize the method described by Laricchiuta et al, where collision integrals are computed based on the constituent particles’ polarizability and effective electron number [2].Preliminary computations of pure-species Ω(1,1)and Ω(2,2)collision integrals produced from the coupled approach of Stephani et al and Laricchiuta et al for methane show good agreement with those computed via available ab-initio Potential Energy Surface Computations, as seen in Figure 1. Above 300K, no more than 12% deviation is observed between the two results over the temperature range of the fitted PES data [3].Current results of this study include full collision-specificVSS transport properties for a complex-species mixture involving major byproducts of pure methane decomposition. Targeted final results will include a comprehensive list of VSS parameters relevant toDSMC simulations of Titan atmospheric entry, based on the reduced kinetic model of Savajano et al [4].

M R Gosma↗
NASA NTRS1990

A general model of the planetary radiation pressure on a satellite with a complex shape

The purpose of this paper is to present a general model for the acceleration exerted on a spacecraft by the radiation coming from a planet. Both the solar radiation reflected by the planet and the thermal emission associated with its temperature are considered. The planet albedo and the planet emissive power are expanded in spherical harmonics with respect to an equatorial reference frame attached to the planet. The satellite external surface is assumed to consist of a juxtaposition of planar surfaces. A particular choice of variables allows to reduce the surface integrals over the lit portion of the planet visible to the satellite to one-dimension integrals.

Borderies, Nicole↗
NASA NTRS2012

Overview of US AID-World Bank-NASA Collaboration to Address Water Management Issues in the MENA Region

The World Bank, USAID and NASA have recently established a joint project to study multiple issues pertaining to water related applications in the Middle East North Africa (MENA) region. The main concentration of the project is on utilization of remote sensing data and hydrological models to address crop irrigation and mapping, flood mapping and forecasting, evapotranspiration and drought problems prevalent in this large geographic area. Additional emphases are placed on understanding the climate impact on these areas as well. Per IPCC 2007 report, by the end of this century MENA region is projected to experience an increase of 3 C to 5 C rise in mean temperatures and a 20% decline in precipitation. This poses a serious problem for this geographic zone especially when majority of the hydrological consumption is for the agriculture sector and the remaining amount is for domestic consumption. The remote sensing data from space is one of the best ways to study such complex issues and further feed into the decision support systems. NASA's fleet of Earth Observing satellites offer a great vantage point from space to look at the globe and provide vital signs necessary to maintain healthy and sustainable ecosystem. These observations generate multiple products such as soil moisture, global precipitation, aerosols, cloud cover, normalized difference vegetation index, land cover/use, ocean altimetry, ocean salinity, sea surface winds, sea surface temperature, ozone and atmospheric gases, ice and snow measurements, and many more. All of the data products, models and research results are distributed-via the Internet freely through out the world. This project will utilize several NASA models such as global Land Data Assimilation System (LDAS) to generate hydrological states and fluxes in near real time. These LDAS products will then be further compared with other NASA satellite observations (MODIS, VIIRS, TRMM, etc.) and other discrete models to compare and optimize evapotranspiration, soil moisture and crop irrigation, droUght assessment and water balance. The floods being a critical disaster in many of the MENA countries, NASA's global flood mapping and modeling framework (CREST) will be customized for country specific needs and delivered to the remote sensing organizations for their future use. Finally, capacity building is a critical part of this project and NASA will assist in this effort as well.

Habib, Shahid↗
DOE OSTI2022

DECOVALEX-2019: An international collaboration for advancing the understanding and modeling of coupled thermo-hydro-mechanical-chemical (THMC) processes in geological systems

The DECOVALEX Project is an international research collaboration for advancing the understanding and modeling of coupled thermo-hydro-mechanical-chemical (THMC) processes in geological systems. DECOVALEX stands for “DEvelopment of COupled Models and VALidation against EXperiments”. The creation of this international initiative, now running for almost 30 years, was motivated by the recognition that prediction of these coupled effects is an essential part of the performance and safety assessment of geologic disposal systems for radioactive waste and spent nuclear fuel, and also for a range of other sub-surface engineering activities. DECOVALEX emphasizes joint analysis and comparative modeling of state-of-the-art field and laboratory experiments, across a range of host rock options and repository designs. Participating research teams are from radioactive waste management organizations, national research institutes, regulatory agencies, universities, and consulting groups, providing a wide range of perspectives and solutions to these complex problems. The most recent phase of the DECOVALEX Project, here referred to as DECOVALEX-2019, started in 2016 and ended in 2019. Modeling teams from 13 international partner organizations participated in the comparative evaluation of seven modeling tasks involving complex field and/or laboratory experiments. Furthermore, this Virtual Special Issue on DECOVALEX-2019 provides an in-depth overview of these collaborative research efforts and how these have advanced the state-of-the-art of understanding and modeling coupled THMC processes.

58 GEOSCIENCES↗
DOE OSTI2020

New H2O–H2O collisional rate coefficients for cometary applications

ABSTRACT We re-introduce a semiclassical methodology based on theories developed for the determination of broadening coefficients. We show that this simple and extremely fast methodology provides results that are in good agreement with results obtained using the more sophisticate MQCT approach. This semiclassical methodology could be an alternative approach which allows to provide large sets of collisional data for very complex molecular systems. It saves time both on the determination of potential energy surfaces and on the collisional dynamical calculations. In addition, this paper provides more complete sets of rotational de-excitation cross-sections and rate coefficients of H2O perturbed by a thermal average of water molecules. Those data can be used in the radiative transfer modelling of cometary atmospheres.

Boursier, C.↗