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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↗
DOE OSTI2012

Deep Geologic Nuclear Waste Disposal - No New Taxes - 12469

To some, the perceived inability of the United States to dispose of high-level nuclear waste justifies a moratorium on expansion of nuclear power in this country. Instead, it is more an example of how science yields to social pressure, even on a subject as technical as nuclear waste. Most of the problems, however, stem from confusion on the part of the public and their elected officials, not from a lack of scientific knowledge. We know where to put nuclear waste, how to put it there, how much it will cost, and how well it will work. And it's all about the geology. The President's Blue Ribbon Commission on America's Nuclear Future has drafted a number of recommendations addressing nuclear energy and waste issues (BRC 2011) and three recommendations, in particular, have set the stage for a new strategy to dispose of high-level nuclear waste and to manage spent nuclear fuel in the United States: 1) interim storage for spent nuclear fuel, 2) resumption of the site selection process for a second repository, and 3) a quasi-government entity to execute the program and take control of the Nuclear Waste Fund in order to do so. The first two recommendations allow removal and storage of spent fuel from reactor sites to be used in the future, and allows permanent disposal of actual waste, while the third controls cost and administration. The Nuclear Waste Policy Act of 1982 (NPWA 1982) provides the second repository different waste criteria, retrievability, and schedule, so massive salt returns as the candidate formation of choice. The cost (in 2007 dollars) of disposing of 83,000 metric tons of heavy metal (MTHM) high-level waste (HLW) is about $ 83 billion (b) in volcanic tuff, $ 29 b in massive salt, and $ 77 b in crystalline rock. Only in salt is the annual revenue stream from the Nuclear Waste Fund more than sufficient to accomplish this program without additional taxes or rate hikes. The cost is determined primarily by the suitability of the geologic formation, i.e., how well it performs on its own for millions of years with little engineering assistance from humans. It is critical that the states most affected by this issue (WA, SC, ID, TN, NM and perhaps others) develop an independent multi-state agreement in order for a successful program to move forward. Federal approval would follow. Unknown to most, the United States has a successful operating deep permanent geologic nuclear repository for high and low activity waste, called the Waste Isolation Pilot Plant (WIPP) near Carlsbad, New Mexico. Its success results from several factors, including an optimal geologic and physio-graphic setting, a strong scientific basis, early regional community support, frequent interactions among stakeholders at all stages of the process, long-term commitment from the upper management of the U.S. Department of Energy (DOE) over several administrations, strong New Mexico State involvement and oversight, and constant environmental monitoring from before nuclear waste was first emplaced in the WIPP underground (in 1999) to the present. WIPP is located in the massive bedded salts of the Salado Formation, whose geological, physical, chemical, redox, thermal, and creep-closure properties make it an ideal formation for long-term disposal, long-term in this case being greater than 200 million years. These properties also mean minimal engineering requirements as the rock does most of the work of isolating the waste. WIPP has been operating for twelve years, and as of this writing, has disposed of over 80,000 m{sup 3} of nuclear weapons waste, called transuranic or TRU waste (>100 nCurie/g but <23 Curie/1000 cm{sup 3}) including some high activity waste from reprocessing of spent fuel from old weapons reactors. All nuclear waste of any type from any source can be disposed in this formation better, safer and cheaper than in any other geologic formation. At the same time, it is critical that we complete the Yucca Mountain license application review so as not to undermine the credibility of the Nuclear Regulatory Commission and the scientific community. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
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↗
DOE OSTI2016

A radiation closure study of Arctic stratus cloud microphysical properties using the collocated satellite-surface data and Fu-Liou radiative transfer model

Retrievals of cloud microphysical properties based on passive satellite imagery are especially difficult over snow-covered surfaces because of the bright and cold surface. To help quantify their uncertainties, single-layered overcast liquid-phase Arctic stratus cloud microphysical properties retrieved by using the Clouds and the Earth's Radiant Energy System Edition 2 and Edition 4 (CERES Ed2 and Ed4) algorithms are compared with ground-based retrievals at the Atmospheric Radiation Measurement North Slope of Alaska (ARM NSA) site at Barrow, AK, during the period from March 2000 to December 2006. A total of 206 and 140 snow-free cases (Rsfc ≤ 0.3), and 108 and 106 snow cases (R sfc > 0.3), respectively, were selected from Terra and Aqua satellite passes over the ARM NSA site. The CERES Ed4 and Ed2 optical depth (τ) and liquid water path (LWP) retrievals from both Terra and Aqua are almost identical and have excellent agreement with ARM retrievals under snow-free and snow conditions. In order to reach a radiation closure study for both the surface and top of atmosphere (TOA) radiation budgets, the ARM precision spectral pyranometer-measured surface albedos were adjusted (63.6% and 80% of the ARM surface albedos for snow-free and snow cases, respectively) to account for the water and land components of the domain of 30 km × 30 km. Most of the radiative transfer model calculated SW↓ sfc and SW↑ TOA fluxes by using ARM and CERES cloud retrievals and the domain mean albedos as input agree with the ARM and CERES flux observations within 10 W m -2 for both snow-free and snow conditions. Sensitivity studies show that the ARM LWP and r e retrievals are less dependent on solar zenith angle (SZA), but all retrieved optical depths increase with SZA.

54 ENVIRONMENTAL SCIENCES↗
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.↗
DOE OSTI2011

A GLOBAL TURBULENCE MODEL FOR NEUTRINO-DRIVEN CONVECTION IN CORE-COLLAPSE SUPERNOVAE

Simulations of core-collapse supernovae (CCSNe) result in successful explosions once the neutrino luminosity exceeds a critical curve, and recent simulations indicate that turbulence further enables explosion by reducing this critical neutrino luminosity. We propose a theoretical framework to derive this result and take the first steps by deriving the governing mean-field equations. Using Reynolds decomposition, we decompose flow variables into background and turbulent flows and derive self-consistent averaged equations for their evolution. As basic requirements for the CCSN problem, these equations naturally incorporate steady-state accretion, neutrino heating and cooling, non-zero entropy gradients, and turbulence terms associated with buoyant driving, redistribution, and dissipation. Furthermore, analysis of two-dimensional (2D) CCSN simulations validate these Reynolds-averaged equations, and we show that the physics of turbulence entirely accounts for the differences between 1D and 2D CCSN simulations. As a prelude to deriving the reduction in the critical luminosity, we identify the turbulent terms that most influence the conditions for explosion. Generically, turbulence equations require closure models, but these closure models depend upon the macroscopic properties of the flow. To derive a closure model that is appropriate for CCSNe, we cull the literature for relevant closure models and compare each with 2D simulations. These models employ local closure approximations and fail to reproduce the global properties of neutrino-driven turbulence. Motivated by the generic failure of these local models, we propose an original model for turbulence which incorporates global properties of the flow. This global model accurately reproduces the turbulence profiles and evolution of 2D CCSN simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
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.↗
DOE OSTI2015

Deriving Arctic Cloud Microphysics at Barrow, Alaska. Algorithms, Results, and Radiative Closure

Cloud phase and microphysical properties control the radiative effects of clouds in the climate system and are therefore crucial to characterize in a variety of conditions and locations. An Arctic-specific, ground-based, multi-sensor cloud retrieval system is described here and applied to two years of observations from Barrow, Alaska. Over these two years, clouds occurred 75% of the time, with cloud ice and liquid each occurring nearly 60% of the time. Liquid water occurred at least 25% of the time even in the winter, and existed up to heights of 8 km. The vertically integrated mass of liquid was typically larger than that of ice. While it is generally difficult to evaluate the overall uncertainty of a comprehensive cloud retrieval system of this type, radiative flux closure analyses were performed where flux calculations using the derived microphysical properties were compared to measurements at the surface and top-of-atmosphere. Radiative closure biases were generally smaller for cloudy scenes relative to clear skies, while the variability of flux closure results was only moderately larger than under clear skies. The best closure at the surface was obtained for liquid-containing clouds. Radiative closure results were compared to those based on a similar, yet simpler, cloud retrieval system. These comparisons demonstrated the importance of accurate cloud phase classification, and specifically the identification of liquid water, for determining radiative fluxes. Enhanced retrievals of liquid water path for thin clouds were also shown to improve radiative flux calculations.

97 MATHEMATICS AND COMPUTING↗