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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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DOE OSTI2020

Enhancement of Thermal Conductivity of Bentonite Buffer Materials with Copper Wires/Meshes for High-Level Radioactive Waste Disposal

In high-level radioactive waste disposal, a heat-generating waste canister is generally encased with a layer of bentonite-based buffer material acting as an engineered barrier to limit water percolation and radionuclide release. The low thermal conductivity of bentonite (~0.5 W/m∙K) combined with a high thermal loading waste package may result in a high surface temperature on the package that can potentially impact the structural integrity of the package itself as well as the surrounding buffer material. We show in this paper that the thermal conductivity of bentonite can be effectively enhanced by embedding copper wires/meshes across the buffer layer to form fully connected high heat conduction pathways. A simple calculation based on Rayleigh’s model shows that a required thermal conductivity of 5 W/m∙K for effective heat dissipation can be achieved simply by adding ~1 vol % of copper wires/meshes into bentonite. As a result, the peak surface temperature on a large waste package such as a dual-purpose canister can be reduced by up to 300°C, leading to a significant reduction in the surface storage time for waste cooling and therefore the overall cost for direct disposal of such waste packages. Because of the ensured full thermal percolation across the buffer layer, copper wires/meshes turn out to be much more effective than any other materials currently suggested (such as graphene or graphite) in enhancing the thermal conductivity of buffer material. Furthermore, the embedded copper wires/meshes can help reinforce the mechanical strength of the buffer material, thus preventing the material from a potential erosion by a possible intrusion of dilute groundwater.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Pressio

Reduced-order Models (ROMs). ROMs are "compressed" approximations of high-fidelity computational models. Implementing ROM methods in production codes is typically intrusive, i.e. the native codes must be adapted and modified, with individual ROM methods reimplemented in every application code. This clearly constitutes an obstacle to users who want to use ROMs. To address this, we have developed Pressio, which is a C++ header-only ROM library that can be used by an application code in a non-intrusive fashion. The main objectives behind the design of Pressio are: (a) support for general computational models (data structures, PDE types); (b) heterogeneous hardware (CPU, GPU); (c) performance; and (d) extensibility. Using metaprogramming techniques, Pressio detects and leverages the application?s native linear algebra data structures (e.g. vector and matrix) to run the ROM methods. The application only needs to expose the velocity vector and Jacobian matrix via an adapter class. Pressio checks at compile time that the target application meets the correct API. The library is structured in several modular packages including (a) non-linear least-square solvers (e.g. Gauss-Newton with and without line-search); (b) singular value decomposition (for the computation of the ROM generalized coordinates) and (c) algebraic hyper-reduction.SAND2019-5878 M

Blonigan, Patrick↗

DOE OSTI2019

Pressio v.1.0

Blonigan, Patrick↗

DOE OSTI2017

Evolution of Substrate Specificity in A Retained Enzyme Driven by Gene Loss

The connection between gene loss and the functional adaptation of retained proteins is still poorly understood. Here, we apply phylogenomics and metabolic modeling to detect bacterial species that are evolving by gene loss, with the finding that Actinomycetaceae genomes from human cavities are undergoing sizable reductions, including loss of L-histidine and L-tryptophan biosynthesis. We also observe that the dual-substrate phosphoribosyl isomerase A or priA gene, at which these pathways converge, appears to coevolve with the occurrence of trp and his genes. Characterization of a dozen PriA homologs shows that these enzymes adapt from bifunctionality in the largest genomes, to a monofunctional, yet not necessarily specialized, inefficient form in genomes undergoing reduction. These functional changes are accomplished via mutations, which result from relaxation of purifying selection, in residues structurally mapped after sequence and X-ray structural analyses. These results show how gene loss can drive the evolution of substrate specificity from retained enzymes.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1984

Embedded shear layer computations for increased drag reduction

One of the most promising methods of minimizing drag is the reduction of skin friction by injection of low momentum fluid into the near-wall region of turbulent boundary layer flows. This method could be made more effective by limiting the spread rate of the resulting mixing region. In order to achieve a better understanding of how this goal might be achieved, numerical investigations of the relevant fluid dynamic processes governing these regions have been conducted. A compact finite-difference algorithm has been applied to the complete form of the governing conservation equations for a two-dimensional laminar mixing layer. The ability of this computational approach to model successfully the formation and interaction of the large scale vortical structures which dominate such flow fields is verified in the present study. Parameters which affect the spread rate of the mixing region are also identified. In addition, the relative importance of viscous and momentum transport effects in the vortex interactions is determined.

Gatski, T. B.↗

NASA NTRS2001

Rapid flow-induced responses in endothelial cells

Endothelial cells alter their morphology, growth rate, and metabolism in response to fluid shear stress. To study rapid flow-induced responses in the 3D endothelial cell morphology and calcium distribution, coupled fluorescence microscopy with optical sectioning, digital imaging, and numerical deconvolution techniques have been utilized. Results demonstrate that within the first minutes of flow application nuclear calcium is increasing. In the same time frame whole cell height and nuclear height are reduced by about 1 microm. Whole cell height changes may facilitate reduction of shear stress gradients on the luminal surface, whereas nuclear structural changes may be important for modulating endothelial growth rate and metabolism. To study the role of the cytoskeleton in these responses, endothelial cells have been treated with specific disrupters (acrylamide, cytochalasin D, and colchicine) of each of the cytoskeleton elements (intermediate filaments, microfilaments, and microtubules, respectively). None of these compounds had any effect on the shear-induced calcium response. Cytochalasin D and acrylamide did not affect the shear-induced nuclear morphology changes. Colchicine, however, completely abrogated the response, indicating that microtubules may be implicated in force transmission from the plasma membrane to the nucleus. A pedagogical model based on tensegrity theory principles is presented that is consistent with the results on the 3D endothelial morphology.

Non-NASA Center↗

NASA NTRS2016

Conceptual Design and Structural Optimization of NASA Environmentally Responsible Aviation (ERA) Hybrid Wing Body Aircraft

Simultaneously achieving the fuel consumption and noise reduction goals set forth by NASA's Environmentally Responsible Aviation (ERA) project requires innovative and unconventional aircraft concepts. In response, advanced hybrid wing body (HWB) aircraft concepts have been proposed and analyzed as a means of meeting these objectives. For the current study, several HWB concepts were analyzed using the Hybrid wing body Conceptual Design and structural optimization (HCDstruct) analysis code. HCDstruct is a medium-fidelity finite element based conceptual design and structural optimization tool developed to fill the critical analysis gap existing between lower order structural sizing approaches and detailed, often finite element based sizing methods for HWB aircraft concepts. Whereas prior versions of the tool used a half-model approach in building the representative finite element model, a full wing-tip-to-wing-tip modeling capability was recently added to HCDstruct, which alleviated the symmetry constraints at the model centerline in place of a free-flying model and allowed for more realistic center body, aft body, and wing loading and trim response. The latest version of HCDstruct was applied to two ERA reference cases, including the Boeing Open Rotor Engine Integration On an HWB (OREIO) concept and the Boeing ERA-0009H1 concept, and results agreed favorably with detailed Boeing design data and related Flight Optimization System (FLOPS) analyses. Following these benchmark cases, HCDstruct was used to size NASA's ERA HWB concepts and to perform a related scaling study.

Quinlan, Jesse R.↗

DOE OSTI2013

Presentation of the MERC work-flow for the computation of a 2D radial reflector in a PWR

This paper presents a work-flow for computing an equivalent 2D radial reflector in a pressurized water reactor (PWR) core, in adequacy with a reference power distribution, computed with the method of characteristics (MOC) of the lattice code APOLLO2. The Multi-modelling Equivalent Reflector Computation (MERC) work-flow is a coherent association of the lattice code APOLLO2 and the core code COCAGNE, structured around the ADAO (Assimilation de Donnees et Aide a l'Optimisation) module of the SALOME platform, based on the data assimilation theory. This study leads to the computation of equivalent few-groups reflectors, that can be spatially heterogeneous, which have been compared to those obtained with the OPTEX similar methodology developed with the core code DONJON, as a first validation step. Subsequently, the MERC work-flow is used to compute the most accurate reflector in consistency with all the R and D choices made at Electricite de France (EDF) for the core modelling, in terms of number of energy groups and simplified transport solvers. We observe important reductions of the power discrepancies distribution over the core when using equivalent reflectors obtained with the MERC work-flow. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2026

Multi-resolution Arctic Shrub Cover Dataset Derived from UAS and Airborne SfM and LiDAR (2013-2025)

We synthesized 177 unoccupied aerial system flights and 77 airborne flights across the Arctic and created a multi-resolution benchmark data of low-to-tall shrub fractional cover leveraging Structure-from-Motion and Light Detection and Ranging. The resulting dataset covered a total of 1899 km2 across Alaska, Western Canada, Sweden, and Siberian Arctic, including key sites from the Oro Arctic to the High Arctic. The dataset is organized into 6 primary data collection directories (“Abisko,” “AWI,” “ERE,” “Fairbanks,” “NGEE,” “Toolik”), each containing site and flight subdirectories. Flight directories include shrub cover rasters (*.tifs) at 1 m, 5 m, and 30 m resolution, the canopy height model at 1 m resolution (*.tifs), and a bounding box *.kml file. For the AWI, Abisko, NGEE, and Fairbanks collections, we also include the GCC raster at 1 m resolution (*.tif). Files are organized by Collection > Site > Flight Name > Data Files. Flight rasters are in the local UTM zone and the .kml files are in the geographic coordinate system EPSG 4326. We also include a .csv file that details the source datasets for every flight. The Next-Generation Ecosystem Experiments in the Arctic (NGEE Arctic) project is a research effort to reduce uncertainty in the Department of Energy’s Energy Exascale Earth System Model (E3SM) by developing a predictive understanding of Arctic tundra ecosystems underlain by permafrost and to quantify feedbacks from the Arctic tundra to the Earth system. NGEE Arctic is supported by the Department of Energy's Office of Biological and Environmental Research. Over Phases 1–3, observations made by the NGEE Arctic team across a gradient of permafrost landscapes in Arctic Alaska improved the representation of tundra processes in the land surface component of E3SM (the E3SM Land Model, ELM). Model improvements emphasized unique aspects of permafrost environments and explored reductions in model complexity while retaining predictive power. The Arctic-informed ELM developed by NGEE Arctic has been used to make novel predictions on processes ranging from permafrost thaw to soil biogeochemical cycling to Earth system feedbacks associated with the unique characteristics of tundra plants. In Phase 4, the NGEE Arctic team is evaluating our new predictive understanding under novel conditions across the Arctic domain. In collaboration with partners at long-term pan-Arctic research sites we are examining whether an Arctic-informed ELM can faithfully simulate interactions among surface and subsurface processes at site, regional, and pan-Arctic scales. In turn, we are using variety of tools to dynamically extend and evaluate ELM inference, with an emphasis on data synthesis and pan-Arctic model evaluation, reintegration of code with an evolving E3SM, scaling across heterogeneous Arctic landscapes, and the appropriate representation of the impacts of increasingly frequent Arctic disturbances.

canopy height model↗

DOE OSTI2011

Roles for Cardiac MyBP-C in Maintaining Myofilament Lattice Rigidity and Prolonging Myosin Cross-Bridge Lifetime

We investigated the influence of cardiac myosin binding protein-C (cMyBP-C) and its constitutively unphosphorylated status on the radial and longitudinal stiffnesses of the myofilament lattice in chemically skinned myocardial strips of the following mouse models: nontransgenic (NTG), effective null for cMyBP-C (t/t), wild-type cMyBP-C expressed into t/t (WT{sub t/t}), and constitutively unphosphorylated cMyBP-C (AllP{sub -t/t}). We found that the absence of cMyBP-C in the t/t and the unphosphorylated cMyBP-C in the AllP{sub -t/t} resulted in a compressible cardiac myofilament lattice induced by rigor not observed in the NTG and WT{sub t/t}. These results suggest that the presence and phosphorylation of the N-terminus of cMyBP-C provides structural support and radial rigidity to the myofilament lattice. Examination of myofilament longitudinal stiffness under rigor conditions demonstrated a significant reduction in cross-bridge-dependent stiffness in the t/t compared with NTG controls, but not in the AllP{sub -t/t} compared with WT{sub t/t} controls. The absence of cMyBP-C in the t/t and the unphosphorylated cMyBP-C in the AllP{sub -t/t} both resulted in a shorter myosin cross-bridge lifetime when myosin isoform was controlled. These data collectively suggest that cMyBP-C provides radial rigidity to the myofilament lattice through the N-terminus, and that disruption of the phosphorylation of cMyBP-C is sufficient to abolish this structural role of the N-terminus and shorten cross-bridge lifetime. Although the presence of cMyBP-C also provides longitudinal rigidity, phosphorylation of the N-terminus is not necessary to maintain longitudinal rigidity of the lattice, in contrast to radial rigidity.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2015

Dynamic Metabolic Modeling of Denitrifying Bacterial Growth: The Cybernetic Approach

Denitrification is a multistage reduction process converting nitrate ultimately to nitrogen gas, carried out mostly by facultative bacteria. Modeling of the denitrification process is challenging due to the complex metabolic regulation that modulates sequential formation and consumption of a series of nitrogen oxide intermediates, which serve as the final electron acceptors for denitrifying bacteria. In this work, we examined the effectiveness and accuracy of the cybernetic modeling framework in simulating the growth dynamics of denitrifying bacteria in comparison with kinetic models. In four different case studies using the literature data, we successfully simulated diauxic and triauxic growth patterns observed in anoxic and aerobic conditions, only by tuning two or three parameters. In order to understand the regulatory structure of the cybernetic model, we systematically analyzed the effect of cybernetic control variables on simulation accuracy. The results showed that the consideration of both enzyme synthesis and activity control through u- and v-variables is necessary and relevant and that uvariables are of greater importance in comparison to v-variables. In contrast, simple kinetic models were unable to accurately capture dynamic metabolic shifts across alternative electron acceptors, unless an inhibition term was additionally incorporated. Therefore, the denitrification process represents a reasonable example highlighting the criticality of considering dynamic regulation for successful metabolic modeling.

cybernetic model↗

DOE OSTI2023

Molybdenum sulphide clusters as redox-active supports for low-valent uranium

The preparation of an actinide substituted cubane cluster, (Cp* 3 Mo 3 S 4 )Cp*UI 2 , and its reduced derivatives are reported. Structural and spectroscopic investigations provide insight into the unique interactions between the actinide and its redox-active molybdenum sulphide metalloligand, serving as a model to study atomically-dispersed, low-valent actinide ions on MoS 2 surfaces. To probe the ability of the assembly to facilitate multielectron small molecule activation, the reactivity of the fully-reduced cluster, (Cp* 3 Mo 3 S 4 )Cp*U, with azobenzene was investigated. Addition of the substrate results in the formation of a cis-bis-imido cluster, (Cp* 3 Mo 3 S 4 )Cp*U(=NPh) 2 . Here, cooperative reactivity between the actinide and redox-active support facilitates the 4e − -reduction of substrate.

Patra, Kamaless↗

DOE OSTI2023

Mitigating the noise of DESI mocks using analytic control variates

In order to address fundamental questions related to the expansion history of the Universe and its primordial nature with the next generation of galaxy experiments, we need to model reliably large-scale structure observables such as the correlation function and the power spectrum. Cosmological N-body simulations provide a reference through which we can test our models, but their output suffers from sample variance on large scales. Fortunately, this is the regime where accurate analytic approximations exist. To reduce the variance, which is key to making optimal use of these simulations, we can leverage the accuracy and precision of such analytic descriptions using Control Variates (CV). The power of control variates stems from utilizing inexpensive but highly correlated surrogates of the statistics one wishes to measure. The stronger the correlation between the surrogate and the statistic of interest, the larger the variance reduction delivered by the method. We apply two control variate formulations to mock catalogs generated in anticipation of upcoming data from the Dark Energy Spectroscopic Instrument (DESI) to test the robustness of its analysis pipeline. Our CV-reduced measurements offer a factor of 5-10 improvement in the measurement error compared with the raw measurements. We explore the relevant properties of the galaxy samples that dictate this reduction and comment on the improvements we find on some of the derived quantities relevant to Baryon Acoustic Oscillation (BAO) analysis.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2018

An Improved Formulation for Hybridizable Discontinuous Galerkin Fluid-Structure Interaction Modeling with Reduced Computational Expense

Here, this work presents two computational efficiency improvements for the hybridizable discontinuous Galerkin (HDG) fluid-structure interaction (FSI) model presented by Sheldon et al. A new formulation for the solid is presented that eliminates the global displacement, resulting in the velocity being the only global solid variable. This necessitates a change to the solid-mesh displacement coupling, which is accounted for by coupling the local solid displacement to the global mesh displacement. Additionally, the mesh basis and test functions are restricted to linear polynomials, rather than being equal-order with the fluid and solid. This change increases the computational efficiency dynamically, with greater benefit the higher order the computation, when compared to an equal-order formulation. These two improvements result in a 50% reduction in the number of global degrees of freedom for high-order simulations for both the fluid and solid domains, as well as an approximately 50% reduction in the number of local fluid domain degrees of freedom for high-order simulations. Finally, the new, more efficient formulation is compared against that from Sheldon et al. and negligible change of accuracy is found.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1978

Analytical and numerical investigation of structural response of compliant wall materials, part 1

Surface motion of compliant walls in drag reduction experiments was analyzed. Critical comparison was made between the dynamic motion of the structure and the postulated mechanism of drag reduction. The spectrum of surface motion indicated that membranes over deep cavities respond at low frequencies and large wavelengths. The membrane over a deep cavity is therefore found not to yield the desired response predicted by the postulated mechanism. The membrane over a thin air gap is found to act as a wavelength chopper, and analysis of the nonlinear response of that compliant surface indicated its possible suitability for compliant wall experiments. Periodic structures are found to lock in the desired wavelengths of motion, and it was shown that at least in Kramer's initial experiments they produced high frequency surface motions. Laminated structures are found to be very ineffective as compliant models, except when there is no bonding between the membrane and the backing. Computer programs developed for these analyses are documented.

Balasubramanian, R.↗

NASA NTRS1990

Flight service evaluation of composite helicopter components

An assessment is presented of ten composite tail rotor spars and four horizontal stabilizers exposed to the effects of in-flight commercial service for up to nine years to establish realistic environmental factors for use in future designs. This evaluation is supported by test results of helicopter components and panels which have been exposed to outdoor environmental effects since 1979. Full scale static and fatigue tests were conducted on graphite/epoxy and Kevlar/epoxy composite components removed from Sikorsky Model S-76 helicopters in commercial operations off the Gulf Coast of Louisiana. Small scale static and fatigue tests were conducted on coupons obtained from panels exposed to outdoor conditions in Stratford, CT and West Palm Beach, Florida. The panel materials and ply configurations were representative of the S-76 components. The results are discussed of moisture analyses and strength tests on both the S-76 components and composite panels after up to nine years of outdoor exposure. Full scale tests performed on the helicopter components did not disclose any significant reductions from the baseline strengths. The results increased confidence in the long term durability of advanced composite materials in helicopter structural applications.

Mardoian, George H.↗

DOE OSTI2016

The extended Baryon Oscillation Spectroscopic Survey: Variability selection and quasar luminosity function

The extended Baryon Oscillation Spectroscopic Survey of the Sloan Digital Sky Survey (SDSS-IV/eBOSS) has an extensive quasar program that combines several selection methods. Among these, the photometric variability technique provides highly uniform samples, which are unaffected by the redshift bias of traditional optical-color selections, when z = 2.7-3.5 quasars cross the stellar locus or when host galaxy light affects quasar colors at z< 0.9. We present the variability selection of quasars in eBOSS, focusing on a specific program that led to a sample of 13 876 quasars to g dered = 22.5 over a 94.5 deg 2 region in Stripe 82, which has an areal density 1.5 times higher than over the rest of the eBOSS footprint. We use these variability-selected data to provide a new measurement of the quasar luminosity function (QLF) in the redshift range of 0.68 g (z = 2) = -21.80 at low redshift and to M g (z = 2) = -26.20 at z ~ 4. We fit the QLF using two independent double-power-law models with ten free parameters each. The first model is a pure luminosity-function evolution (PLE) with bright-end and faint-end slopes allowed to be different on either side of z = 2.2. The other is a simple PLE at z< 2.2, combined with a model that comprises both luminosity and density evolution (LEDE) at z> 2.2. Both models are constrained to be continuous at z = 2.2. They present a flattening of the bright-end slope at high redshift. The LEDE model indicates a reduction of the break density with increasing redshift, but the evolution of the break magnitude depends on the parameterization. The models are in excellent accord, predicting quasar counts that agree within 0.3% (resp., 1.1%) to g< 22.5 (resp., g< 23). The models are also in good agreement over the entire redshift range with models from previous studies.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

Analysis and Reduction of Complex Networks Under Uncertainty

This effort was a collaboration with Youssef Marzouk of MIT, Omar Knio of Duke University (at the time at Johns Hopkins University) and Habib Najm of Sandia National Laboratories. The objective of this effort was to develop the mathematical and algorithmic capacity to analyze complex networks under uncertainty. Of interest were chemical reaction networks and smart grid networks. The statements of work for USC focused on the development of stochastic reduced models for uncertain networks. The USC team was led by Professor Roger Ghanem and consisted of one graduate student and a postdoc. The contributions completed by the USC team consisted of 1) methodology and algorithms to address the eigenvalue problem, a problem of significance in the stability of networks under stochastic perturbations, 2) methodology and algorithms to characterize probability measures on graph structures with random flows. This is an important problem in characterizing random demand (encountered in smart grid) and random degradation (encountered in infrastructure systems), as well as modeling errors in Markov Chains (with ubiquitous relevance!). 3) methodology and algorithms for treating inequalities in uncertain systems. This is an important problem in the context of models for material failure and network flows under uncertainty where conditions of failure or flow are described in the form of inequalities between the state variables.

97 MATHEMATICS AND COMPUTING↗

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