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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

An efficient algorithm for generating diverse microstructure sets and delineating properties closures

Properties closures delineate the theoretical objective space for materials design problems, allowing designers to make informed trade-offs between competing constraints and target properties. In this paper, we present a new algorithm called hierarchical simplex sampling (HSS) that approximates properties closures more efficiently and faithfully than traditional optimization based approaches. By construction, HSS generates samples of microstructure statistics that span the corresponding microstructure hull. As a result, we also find that HSS can be coupled with synthetic polycrystal generation software to generate diverse sets of microstructures for subsequent mesoscale simulations. Finally, by more broadly sampling the space of possible microstructures, it is anticipated that such diverse microstructure sets will expand our understanding of the influence of microstructure on macroscale effective properties and inform the construction of higher-fidelity mesoscale structure-property models.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Crystal mechanics-based thermo-elastic constitutive modeling of orthorhombic uranium using generalized spherical harmonics and first-order bounding theories

In earlier works, a mathematical procedure for invertible microstructure-property linkages was developed using computationally efficient spectral methods for polycrystalline cubic and hexagonal metals. This paper formulates such invertible microstructure–property linkages for orthorhombic polycrystalline metals relying on the generalized spherical harmonics (GSH) spectral basis. The procedure is used to compute property closures of orthorhombic polycrystals. The closures represent the complete set of theoretically possible combinations of effective properties for a selected material. The procedure relies on the first-order bounding theories and considers orientation distribution functions (ODFs) as the main microstructural descriptor influencing homogenized properties. Numerous examples of these closures involving second-rank thermal expansion and fourth-rank elastic stiffness tensorial properties over a broad range of temperatures are presented for α-uranium (α-U). In doing so, certain key properties of these closures are exploited to facilitate their computation with drastically reduced computational effort. Along with the recently developed GSH-based interpolation procedure for ODFs from coarsely spaced experimental measurement grids to finely spaced finite element mesh resolution grids presented in Barrett et al., the developed computationally efficient ODF-effective property linkages are used to establish a crystal mechanics-based simulation framework coupled with the finite element method (FEM). The ODF dependent thermal expansion and elastic stiffness tensors are efficiently calculated at every integration point and used by the FEM to predict the overall distortion of a hemispherical part made of α-U during heating. In conclusion, it is shown that the developed framework can be used to simulate microstructurally heterogeneous components under thermo-mechanical loadings in a computationally efficient manner.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Effects of display format on pilot describing function and remnant

As part of a program to develop a comprehensive theory of manual control displays, six display formats were used by three instrument-rated pilots to regulate against random disturbances with a controlled element under both foveal and 10 deg parafoveal viewing conditions. The six display formats were: CRT line, CRT thermometer bar, 14-bar quantized on a CRT, a rotary dial and pointer, and two variations of a moving scale tape-drive. All were scaled to equivalent movement and apparent brightness. Measures included overall performance, describing functions, error remnant power spectra, critical instability scores, and subjective display ratings. The results show that the main effect of display format is on the loop closure properties. Less desirable displays induce lower bandwidth closures with consequent effects on the closed-loop remnant and performance.

Jex, H. R.↗
NASA NTRS1986

Optimal estimation for the satellite attitude using star tracker measurements

An optimal estimation scheme is presented, which determines the satellite attitude using the gyro readings and the star tracker measurements of a commonly used satellite attitude measuring unit. The scheme is mainly based on the exponential Fourier densities that have the desirable closure property under conditioning. By updating a finite and fixed number of parameters, the conditional probability density, which is an exponential Fourier density, is recursively determined. Simulation results indicate that the scheme is more accurate and robust than extended Kalman filtering. It is believed that this approach is applicable to many other attitude measuring units. As no linearization and approximation are necessary in the approach, it is ideal for systems involving high levels of randomness and/or low levels of observability and systems for which accuracy is of overriding importance.

Lo, J. T.-H.↗
DOE OSTI2021

Accelerate Nuclear Research and Development by Reducing Time and Cost Spend in the Pre-conceptual Design Phase of Advanced Reactor Experiments

The design process of every new concept, such as advanced nuclear reactors or associated experiments, starts with the pre-conceptual design phase. In this phase, the viability of a wide range of design options needs to be assessed quickly, to understand the operating envelope and its feasibility. A variety of physics models (thermal-hydraulics, neutronics, mechanical design, etc.) has to be considered at this very first design stage and optimum component sizes and materials (e.g. heat exchangers, piping, turbomachinery, coolant type, etc.) have to be chosen for a given set of boundary conditions (e.g. heat source, heat sink, flow rate, etc.). Detailed solutions such as provided by high fidelity methods like computational fluid dynamics (CFD), Monte Carlo methods, etc. and even lower fidelity tools such as system or subchannel codes, etc. are usually not used during the pre-conceptual design due to the relatively long time needed to create input models, the computational time to obtain a solution and the lack of flexibility to quickly investigate different combinations of components, individual component sizes and material properties. High fidelity tools are usually only employed in the conceptual design and later phases once a base concept has been identified during the pre-conceptual design stage. The current practice during the pre-conceptual design stage is that analysts collect the needed equations, material properties, closure laws, etc. and create ad-hoc solutions form scratch for every new problem. There clearly is a lack of a flexible scoping tool that can be used during pre-conceptional design before higher fidelity tools (as described above) come into play. To reduce user errors in ad-hoc solutions and increase fidelity and efficiency, this project aims to investigate and develop a user-friendly scoping tool to address the thermal-hydraulic designing needs during preconceptual experiment design, i.e. Thermal-hydraulic Research Universal Scoping Tool (TRUST). The success of TRUST will provide the nuclear engineers with an easy-to-use and affordable calculator for early reactor system design and optimization.

42 ENGINEERING↗
NASA NTRS2001

Airborne Sunphotometer Studies of Aerosol Properties and Effects, Including Closure Among Satellite, Suborbital Remote, and In situ Measurements

Airborne sunphotometry has been used to measure aerosols from North America, Europe, and Africa in coordination with satellite and in situ measurements in TARFOX (1996), ACE-2 (1997), PRIDE (2000), and SAFARI 2000. Similar coordinated measurements of Asian aerosols are being conducted this spring in ACE-Asia and are planned for North American aerosols this summer in CLAMS. This paper summarizes the approaches used, key results, and implications for aerosol properties and effects, such as single scattering albedo and regional radiative forcing. The approaches exploit the three-dimensional mobility of airborne sunphotometry to access satellite scenes over diverse surfaces (including open ocean with and without sunglint) and to match exactly the atmospheric layers sampled by airborne in situ measurements and other radiometers. These measurements permit tests of the consistency, or closure, among such diverse measurements as aerosol size-resolved chemical composition; number or mass concentration; light extinction, absorption, and scattering (total, hemispheric back and 180 deg.); and radiative fluxes. In this way the airborne sunphotometer measurements provide a key link between satellite and in situ measurements that helps to understand any discrepancies that are found. These comparisons have led to several characteristic results. Typically these include: (1) Better agreement among different types of remote measurements than between remote and in situ measurements. (2) More extinction derived from transmission measurements than from in situ measurements. (3) Larger aerosol absorption inferred from flux radiometry than from in situ measurements. Aerosol intensive properties derived from these closure studies have been combined with satellite-retrieved fields of optical depth to produce fields of regional radiative forcing. We show results for the North Atlantic derived from AVHRR optical depths and aerosol intensive properties from TARFOX and ACE-2. Companion papers show analogous, preliminary results for Asian-Pacific aerosols and results of SAFARI-2000 closure studies on African aerosols.

Russlee, Philip B.↗
DOE OSTI2022

Evaluation of thermodynamic closure models for partially reacted two-phase mixture of condensed phase explosives

One of the key fundamental issues that is crucial in the continuum modeling of reactive flow phenomena is the thermodynamically consistent description of reaction mixture properties. To define the mixture properties, thermodynamic closure rules that relate the properties of the individual reaction components to the mixture properties are required. In the context of reactive two-phase modeling approaches, various strategies to define the thermodynamic closures have been adopted such as pressure temperature (PT) equilibrium between the individual reaction components, pressure (specific) volume (PV) equilibrium, etc. The choice of closure rules determines the relative distribution of specific volume and energy across the reaction components that comprise the mixture. Therefore, depending on the choice of the closure, the mixture thermodynamic behavior can vary. The present work examines the effect of different closure approaches on the thermodynamic properties of the reaction mixture. The analysis is performed for a condensed phase HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) based plastic bonded explosive (PBX) 9501 explosive using four different thermodynamic closures, viz., PT equilibrium, PV equilibrium, volume temperature (VT) equilibrium, and pressure (P) equilibrium with reactants on an isentrope. Furthermore, the relative variations in the thermodynamic properties of the mixture are analyzed and compared under both compression and expansion loading regimes. It is shown that out of the four closure models, only PT equilibrium and P equilibrium closures lead to a thermodynamically accurate description of the mixture under both compression and expansion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Comprehensive characterization of the irradiation effects of glassy carbon

Carbon materials have become increasingly diverse, finding applications in high-temperature and high-radiation environments. Glassy carbon, an allotrope known for its exceptional chemical inertness and desirable mechanical properties. However, understanding neutron irradiation effects in glassy carbon has proven challenging, primarily because of its unique nanopore structure. Here, this study presents a highly detailed microstructural characterization investigation of neutron-induced changes in glassy carbon, revealing how changes in nanopore structure and crystallinity impact the irradiation-induced shrinkage. Aberration-corrected scanning transmission electron microscopy (STEM) reveals pore closure that leads to material densification in the irradiated samples. Dimensional analysis combined with comparison to historical data suggest significant length shrinkage to occur. Neutron and in situ electron irradiation experiments suggest that glassy carbon transforms into so-called carbon onions, supporting the concept of shrinkage saturation. Investigating irradiation temperature effects using STEM, electron energy loss spectroscopy, x-ray diffraction, and Raman spectroscopy revealed partial amorphization at 210 °C–230 °C and preserved order in glassy carbon at 860 °C, coinciding with pore closure. Thermal property measurements were also conducted to assess the effects of densification and other changes in the atomic structure of glassy carbon. The results of this study have broad implications in the deployment of glassy carbon to nuclear environments, based around the observed changes in the thermal properties, and demonstrates the operational window for the onset of densification.

36 MATERIALS SCIENCE↗
NASA NTRS2002

Scale Closure in Upper Ocean Optical Properties: From Single Particles to Ocean Color

Predictions of chlorophyll concentration from satellite ocean color are an indicator of primary productivity, with implications for foodwebs, fisheries, and the global carbon cycle. Models describing the relationship between optical properties and chlorophyll do not account for much of the optical variability observed in natural waters, because of the presence of seawater constituents that do not covary with phytoplankton pigments. in order to understand variability in these models, the optical contributions of seawater constituents were investigated. A combination of Mie theory and flow cytometry was used to determine the diameter, complex refractive index, and optical cross-sections of individual particles. In New England continental shelf waters, eukaryotic phytoplankton were the main particle contributors to absorption and scaftering. Minerals were the main contributor to backscattering (bb) in the spring, whereas in the summer both minerals and detritus contributed to bb. Synechococcus and heterotrophic bacteria were relatively unimportant optically. Seasonal differences in the spectral shape of remote sensing reflectance, Rrs, were contributed to approximately equally by eukaryotic phytoplankton absorption, dissolved absorption, and non-phytoplankton bb. Differences between measurements of bb and Prs and modeled values based on chlorophyll concentration were caused by higher dissolved absorption and non-phytoplankton bb than were assumed by the model.

Green, Rebecca E.↗
DOE OSTI2023

Data-driven, structure-preserving approximations to entropy-based moment closures for kinetic equations

In this study, we present a data-driven approach for approximating entropy-based closures of moment systems from kinetic equations. The proposed closure learns the entropy function by fitting the map between the moments and the entropy of the moment system, and thus does not depend on the spacetime discretization of the moment system or specific problem configurations such as initial and boundary conditions. With convex and C 2 approximations, this data-driven closure inherits several structural properties from entropy-based closures, such as entropy dissipation, hyperbolicity, and H-Theorem. We construct convex approximations to the Maxwell–Boltzmann entropy using convex splines and neural networks, test them on the plane source benchmark problem for linear transport in slab geometry, and compare the results to the standard, entropy-based systems which solve a convex optimization problem to find the closure. Numerical results indicate that these data-driven closures provide accurate solutions in much less computation time than that required by the optimization routine.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

High strain-rate strength response of single crystal tantalum through in-situ hole closure imaging experiments

The properties of crystalline materials often depend on directionality and operating conditions. Specifically, the strength of materials can depend anisotropically on crystal direction and the loading condition. To probe these effects, a preliminary series of high strain-rate (> 105/s) strength plate-impact hole closure experiments were performed on high purity single crystal Tantalum cubes. The orientation of the single crystals with respect to impact/loading were varied to provide data to inform crystal plasticity modeling efforts. The experiments consist of in-situ high-resolution X-ray radiographic imaging of the hole collapse under dynamic compression conditions to infer the material strength via its resistance to closure at increasing levels of plastic strain. The experiments are compared against hydrocode simulation predictions. Here, a comparison with simple elastic perfectly plastic strength model predictions is presented to elucidate the response of the different crystal orientations at high strain-rate and large plastic strains.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Near-wall turbine closure for curved flows

At present, turbulence closures for curved flows only account for curvature effects in the fully turbulent region where the Reynolds number is large. The justification is that, near a wall, viscous effects dominate and curvature effects are only of secondary importance. Recent direct simulation data show that this assumption is not valid, even for simple two-dimensional fully developed turbulent curved channel flows. This paper presents an approach to develop a near-wall turbulence closure for wall-bounded curved flows. The curved channel direct simulation data is used as a guide to held develop such a closure. The proposed closure has the unique property of approaching conventional high-Reynolds-number Reynolds-stress closures far away from the wall. Hence, curvature effects in both the near-wall and the fully turbulent parts of the flow are accounted for properly. Validations of the closure are carried out with a set of low-Reynolds-number simulation data and with experimental measurements at high Reynolds number. Good agreement is obtained in both cases; in particular, the anisotropic behavior of the normal stresses and the shear stress behavior near the convex and concave walls.

So, R. M. C.↗
NASA NTRS2000

North Atlantic Aerosol Properties for Radiative Impact Assessments. Derived from Column Closure Analyses in TARFOX and ACE-2

Aerosol effects on atmospheric radiative fluxes provide a forcing function that can change the climate in potentially significant ways. This aerosol radiative forcing is a major source of uncertainty in understanding the climate change of the past century and predicting future climate. To help reduce this uncertainty, the 1996 Tropospheric Aerosol Radiative Forcing Observational Experiment (TARFOX) and the 1997 Aerosol Characterization Experiment (ACE-2) measured the properties and radiative effects of aerosols over the Atlantic Ocean. Both experiments used remote and in situ measurements from aircraft and the surface, coordinated with overpasses by a variety of satellite radiometers. TARFOX focused on the urban-industrial haze plume flowing from the United States over the western Atlantic, whereas ACE-2 studied aerosols over the eastern Atlantic from both Europe and Africa. These aerosols often have a marked impact on satellite-measured radiances. However, accurate derivation of flux changes, or radiative forcing, from the satellite measured radiances or retrieved aerosol optical depths (AODs) remains a difficult challenge. Here we summarize key initial results from TARFOX and ACE-2, with a focus on closure analyses that yield aerosol microphysical models for use in improved assessments of flux changes. We show how one such model gives computed radiative flux sensitivities (dF/dAOD) that agree with values measured in TARFOX and preliminary values computed for the polluted marine boundary layer in ACE-2. A companion paper uses the model to compute aerosol-induced flux changes over the North Atlantic from AVHRR-derived AOD fields.

Russell, Philip A.↗
NASA NTRS2008

Energetic Consistency and Coupling of the Mean and Covariance Dynamics

The dynamical state of the ocean and atmosphere is taken to be a large dimensional random vector in a range of large-scale computational applications, including data assimilation, ensemble prediction, sensitivity analysis, and predictability studies. In each of these applications, numerical evolution of the covariance matrix of the random state plays a central role, because this matrix is used to quantify uncertainty in the state of the dynamical system. Since atmospheric and ocean dynamics are nonlinear, there is no closed evolution equation for the covariance matrix, nor for the mean state. Therefore approximate evolution equations must be used. This article studies theoretical properties of the evolution equations for the mean state and covariance matrix that arise in the second-moment closure approximation (third- and higher-order moment discard). This approximation was introduced by EPSTEIN [1969] in an early effort to introduce a stochastic element into deterministic weather forecasting, and was studied further by FLEMING [1971a,b], EPSTEIN and PITCHER [1972], and PITCHER [1977], also in the context of atmospheric predictability. It has since fallen into disuse, with a simpler one being used in current large-scale applications. The theoretical results of this article make a case that this approximation should be reconsidered for use in large-scale applications, however, because the second moment closure equations possess a property of energetic consistency that the approximate equations now in common use do not possess. A number of properties of solutions of the second-moment closure equations that result from this energetic consistency will be established.

Cohn, Stephen E.↗
NASA NTRS1978

Kinetic model of turbulence in an incompressible fluid

A statistical description of turbulence in an incompressible fluid obeying the Navier-Stokes equations is proposed, where pressure is regarded as a potential for the interaction between fluid elements. A scaling procedure divides a fluctuation into three ranks representing the three transport processes of macroscopic evolution, transport property, and relaxation. Closure is obtained by relaxation, and a kinetic equation is obtained for the fluctuation of the macroscopic rank of the distribution function. The solution gives the transfer function and eddy viscosity. When applied to the inertia subrange of the energy spectrum the analysis recovers the Kolmogorov law and its numerical coefficient.

Tchen, C. M.↗
NASA NTRS1979

A kinetic approach to compressible turbulence

A kinetic theory of strong turbulence is developed by decomposing fluctuation of distribution function into scaled components, or ranks, to represent three transport processes: macroscopic evolution, transport property and relaxation. Closure is obtained by formulating a relaxation process for the approach of eddy diffusivity to equilibrium. The kinetic equation is solved and three transport functions of turbulence in adiabatic gas are derived: two transfer functions describe turbulent mode transfer, and a coupling function describes the build-up of kinetic energy at the expense of internal energy. The energy balance in the inertial subrange of homogeneous and isotropic turbulence in an adiabatic gas yields a k to the -3rd law, in agreement with numerical computations from one dimensional model of compressible turbulence.

Tchen, C. M.↗
NASA NTRS2000

North Atlantic Aerosol Radiative Impacts Based on Satellite Measurements and Aerosol Intensive Properties from TARFOX and ACE-2

We estimate the impact of North Atlantic aerosols on the net short-wave flux at the tropopause by combining satellite-derived aerosol optical depth (AOD) maps with model aerosol properties determined via closure analyses in TARFOX and ACE 2. We exclude African dust, primarily by restricting latitudes to 25-60 N. The analyses use in situ aerosol composition measurements and air- and ship-borne sun-photometer measurements of AOD spectra. The aerosol model yields computed flux sensitivities (dFlux/dAOD) that agree with measurements by airborne flux radiometers in TARFOX. Its midvisible single-scattering albedo is 0.9. which is in the range obtained from in situ measurements of scattering and absorption in both TARFOX and ACE 2. Combining satellite-derived AOD maps with the aerosol model yields maps of 24-hour average net radiative flux changes. For simultaneous AVHRR, radiance measurements exceeded the sunphotometer AODs by about 0.04. However. shipboard sunphotometer and AVHRR AODs agreed Within 0.02 for data acquired during satellite overflights on two other days. We discuss attempts to demonstrate column closure within the MBL by comparing shipboard sunphotometer AODs and values calculated from simultaneous shipboard in-situ aerosol size distribution measurements. These comparisons were mostly unsuccessful, but they illustrate the difficulties inherent in this type of closure analysis. Specifically, AODs derived from near-surface in-situ size distribution measurements are extremely sensitive to the assumed hygroscopic growth model that itself requires an assumption of particle composition as a function of height and size, to the radiosonde-measured relative humidity, and to the vertical profile of particle number. We investigate further the effects of hygroscopic particle growth within the MBL by using shipboard lidar aerosol backscatter profiles together with the sunphotometer AOD.

Russell, P. B.↗