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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 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Off-shell single-top-quark production in the Standard Model Effective Field Theory

We present a fully differential and spin-dependent t-channel single-top-quark calculation at next-to-leading order (NLO) in QCD including off-shell effects by using the complex mass scheme in the Standard Model (SM) and in the Standard Model Effective Field Theory (SMEFT). We include all relevant SMEFT operators at 1/Λ$^{2}$ that contribute at NLO in QCD for a fully consistent comparison to the SM at NLO. In addition, we include chirality flipping operators that do not interfere with the SM amplitude and contribute only at 1/Λ$^{4}$ with a massless b-quark. Such higher order effects are usually captured by considering anomalous right-handed Wtb and left-handed Wtb tensor couplings. Despite their formal suppression in the SMEFT, they describe an important class of models for new physics. Our calculation and analysis framework is publicly available in MCFM.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Off-shell effective energy theory: A unified treatment of the Hubbard model from $\textit{d} = 1$ to $\textit{d = ∞}$

Here we propose an exact formalism, off-shell effective energy theory (OET), which provides a thermodynamic description of a generic quantum Hamiltonian. The OET is based on a partitioning of the Hamiltonian and a corresponding density matrix ansatz constructed from an off-shell extension of the equilibrium density matrix; and there are dual realizations based on a given partitioning. To approximate OET, we introduce the central point expansion (CPE), which is an expansion of the density matrix ansatz, and we renormalize the CPE using a standard expansion of the ground-state energy. In this work we showcase the OET for the one-band Hubbard model in $\textit{d}$ = 1 , 2, and $\infty$, using a partitioning between kinetic and potential energy, yielding two realizations denoted as $\mathcal{K}$ and $\mathcal{X}$. OET shows favorable agreement with exact or state-of-the-art results over all parameter space, and has a negligible computational cost. Physically, $\mathcal{K}$ describes the Fermi liquid, while $\mathcal{X}$ gives an analogous description of both the Luttinger liquid and the Mott insulator. Our approach should find broad applicability in lattice model Hamiltonians, in addition to real materials systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2007

Simulating Space Capsule Water Landing with Explicit Finite Element Method

A study of using an explicit nonlinear dynamic finite element code for simulating the water landing of a space capsule was performed. The finite element model contains Lagrangian shell elements for the space capsule and Eulerian solid elements for the water and air. An Arbitrary Lagrangian Eulerian (ALE) solver and a penalty coupling method were used for predicting the fluid and structure interaction forces. The space capsule was first assumed to be rigid, so the numerical results could be correlated with closed form solutions. The water and air meshes were continuously refined until the solution was converged. The converged maximum deceleration predicted is bounded by the classical von Karman and Wagner solutions and is considered to be an adequate solution. The refined water and air meshes were then used in the models for simulating the water landing of a capsule model that has a flexible bottom. For small pitch angle cases, the maximum deceleration from the flexible capsule model was found to be significantly greater than the maximum deceleration obtained from the corresponding rigid model. For large pitch angle cases, the difference between the maximum deceleration of the flexible model and that of its corresponding rigid model is smaller. Test data of Apollo space capsules with a flexible heat shield qualitatively support the findings presented in this paper.

Wang, John T.↗
DOE OSTI2015

The fate of dead radio-loud active galactic nuclei: A new prediction of long-lived shell emission

We examine the fate of a dead radio source in which jet injection from the central engine has stopped at an early stage of its evolution (t=t{sub j}≲10{sup 5} years). To this aim, we theoretically evaluate the evolution of the emission from both the lobe and the shell, which are composed of shocked jet matter and a shocked ambient medium (i.e., shell), respectively. Based on a simple dynamical model of expanding lobe and shell, we clarify how the broadband spectrum of each component evolves before and after the cessation of the jet activity. It is shown that the spectrum is strongly dominated by the lobe emission while the jet is active (t⩽t{sub j}). On the other hand, once the jet activity has ceased (t>t{sub j}), the lobe emission fades out rapidly, since fresh electrons are no longer supplied from the jet. Meanwhile, shell emission only shows a gradual decrease, since fresh electrons are continuously supplied from the bow shock that is propagating into the ambient medium. As a result, overall emission from the shell overwhelms that from the lobe at a wide range of frequencies from radio up to gamma-ray soon after the jet activity has ceased. Our result predicts a new class of dead radio sources that are dominated by shell emission. We suggest that the emission from the shell can be probed in particular at radio wavelengths with the Square Kilometer Array phase 1.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

NuGrid stellar data set – II. Stellar yields from H to Bi for stellar models with MZAMS = 1–25 M⊙ and Z = 0.0001–0.02

We provide here a significant extension of the NuGrid Set 1 models in mass coverage and towards lower metallicity, adopting the same physics assumptions. The combined data set now includes the initial masses M ZAMS /M ⊙ = 1, 1.65, 2, 3, 4, 5, 6, 7, 12, 15, 20, 25 for Z = 0.02, 0.01, 0.006, 0.001, 0.0001 with α-enhanced composition for the lowest three metallicities. These models are computed with the MESA stellar evolution code and are evolved up to the AGB, the white dwarf stage, or until core collapse. The nucleosynthesis was calculated for all isotopes in post-processing with the NuGrid MPPNP code. Explosive nucleosynthesis is based on semi-analytic 1D shock models. Metallicity-dependent mass-loss, convective boundary mixing in low- and intermediate-mass models and H and He core burning massive star models are included. Convective O-C shell mergers in some stellar models lead to the strong production of odd-Z elements P, Cl, K, and Sc. In AGB models with hot dredge-up, the convective boundary mixing efficiency is reduced to accommodate for its energetic feedback. In both low-mass and massive star models at the lowest metallicity, H-ingestion events are observed and lead to i-process nucleosynthesis and substantial 15 N production. Finally, complete yield data tables, derived data products and online analytic data access are provided.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Exact and Model Exchange-Correlation Potentials for Open-Shell Systems

The conventional approaches to the inverse density functional theory problem typically assume nondegeneracy of the Kohn–Sham (KS) eigenvalues, greatly hindering their use in open-shell systems. Here, we present a generalization of the inverse density functional theory problem that can seamlessly admit degenerate KS eigenvalues. Additionally, we allow for fractional occupancy of the Kohn–Sham orbitals to also handle noninteracting ensemble-v-representable densities, as opposed to just noninteracting pure-v-representable densities. We present the exact exchange-correlation (XC) potentials for six open-shell systems–four atoms (Li, C, N, and O) and two molecules (CN and CH 2 )–using accurate ground-state densities from configuration interaction calculations. We compare these exact XC potentials with model XC potentials obtained using nonlocal (B3LYP, SCAN0) and local/semilocal (SCAN, PBE, PW92) XC functionals. Although the relative errors in the densities obtained from these DFT functionals are of $O$(10 –3 to 10 –2 ), the relative errors in the model XC potentials remain substantially large–$O$(10 –1 to 10 0 ).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2018

Overview of the Digitization Workflow Post Image Acquisition of Apollo Lunar and Antarctic Meteorite Samples Using Agisoft Photoscan for the NASA 3D Astromaterials Virtual Samples Collection

The 3D Virtual Astromaterials Samples (3DVAS) collection is a multi-year funded project to create a digital database of sixty Apollo Lunar and Antarctic Meteorite samples following non-destructive documentation conservation protocols. After initial image processing, the photos are evaluated and processed using unique structure-from-motion photogrammetric techniques in a high performance modelling software designed to create a 3D model from 2D images: Agisoft Photoscan Pro. Agisoft Photoscan Pro uses image processing algorithms and techniques originating in computer vision to resolve 3D models for accurate and detailed visualization of a subject. The software provides a stepwise process that is tailored per model based on spatial and specular reflectance properties, for example. The process includes: photo alignment, creation of a dense point cloud, mesh, and finally texture. Photo alignment is dependent on model properties. The 3DVAS process requires a special rotation platform with calibrated photogrammetric targets, specific distance rotation protocols, and a contrasting background for alignment and scale accuracy. As a result of the photographic process, alignment will complete with two mirrored hemispheres that, in a sense, represent the 2D images overlapping to create a 3D model. Each dense point cloud is analyzed with provided statistical measures in a gradual selection process to eliminate outliers. The point cloud is reduced to include only data valuable to the final model. When a precise dense point cloud is achieved, a mesh and texture are applied. Each model is scaled with scale bar accuracies within 100 microns. Each sample has its own intimate process for modelling; there is no standard for the parameters required in the final creation of a high resolution model. By processing multiple samples, a skill is gained in practice to allow a close definition of the original sample and will result in the most detailed version of the sample shell. This process completes one-fifth of the 3DVAS protocol for providing accurate digital documentation. Each model shell is merged with X-ray Computed Tomography data to create a full volumetric sample. All 3DVAS data will be served on NASA's Astromaterials Acquisition and Curation website with an early subset of data available in 2019 and the 3D Virtual Astromaterials Samples Collection launch in 2020.

Thomas, Andi B.↗
DOE OSTI2023

Correlative chemical and elemental nano-imaging of morphology and disorder at the nacre-prismatic region interface in Pinctada margaritifera

Abstract Understanding biomineralization relies on imaging chemically heterogeneous organic–inorganic interfaces across a hierarchy of spatial scales. Further, organic minority phases are often responsible for emergent inorganic structures from the atomic arrangement of different polymorphs, to nano- and micrometer crystal dimensions, up to meter size mollusk shells. The desired simultaneous chemical and elemental imaging to identify sparse organic moieties across a large field-of-view with nanometer spatial resolution has not yet been achieved. Here, we combine nanoscale secondary ion mass spectroscopy (NanoSIMS) with spectroscopic IR s -SNOM imaging for simultaneous chemical, molecular, and elemental nanoimaging. At the example of Pinctada margaritifera mollusk shells we identify and resolve ~ 50 nm interlamellar protein sheets periodically arranged in regular ~ 600 nm intervals. The striations typically appear ~ 15 µm from the nacre-prism boundary at the interface between disordered neonacre to mature nacre. Using the polymorph distinctive IR-vibrational carbonate resonance, the nacre and prismatic regions are consistently identified as aragonite ( $${\overline{\nu }}_{a}=860$$ ν ¯ a = 860 cm −1 ) and calcite ( $${\overline{\nu }}_{c}=880$$ ν ¯ c = 880 cm −1 ), respectively. We observe previously unreported morphological features including aragonite subdomains encapsulated in extensions of the prism-covering organic membrane and regions of irregular nacre tablet formation coincident with dispersed organics. We also identify a ~ 200 nm region in the incipient nacre region with less well-defined crystal structure and integrated organics. These results show with the identification of the interlamellar protein layer how correlative nano-IR chemical and NanoSIMS elemental imaging can help distinguish different models proposed for shell growth in particular, and how organic function may relate to inorganic structure in other biomineralized systems in general.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Localised plasmons in sphere-like fullerenes and nanoparticles with conducting shells: Classical electrodynamic approach

Based on the classical electrodynamic approach, we consider localised plasmons in fullerenes and small particles with metal layers and shells. At low energies of the radiation quantum, models of fullerenes as conducting shells are used taking into account the contribution of only π electrons, and at high energies, of both π and σ electrons. The obtained maxima of the scattering cross sections correspond to the values of 20 and 27 eV that were determined experimentally and in quantum models for the maxima of the photoionisation cross sections of fullerenes C{sub 60} and C{sub 28}, respectively. Approximate analytical results are presented for resonant frequencies, Q factors, radiation patterns, scattering and absorption cross sections for sphere-like particles and fullerenes, as well as integral equations and functionals for dielectric particles with a conducting shell of arbitrary shape. Analysis relies on the use of effective surface conductivity. (plasmons)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2006

Calculation of Thermally-Induced Displacements in Spherically Domed Ion Engine Grids

An analytical method for predicting the thermally-induced normal and tangential displacements of spherically domed ion optics grids under an axisymmetric thermal loading is presented. A fixed edge support that could be thermally expanded is used for this analysis. Equations for the displacements both normal and tangential to the surface of the spherical shell are derived. A simplified equation for the displacement at the center of the spherical dome is also derived. The effects of plate perforation on displacements and stresses are determined by modeling the perforated plate as an equivalent solid plate with modified, or effective, material properties. Analytical model results are compared to the results from a finite element model. For the solid shell, comparisons showed that the analytical model produces results that closely match the finite element model results. The simplified equation for the normal displacement of the spherical dome center is also found to accurately predict this displacement. For the perforated shells, the analytical solution and simplified equation produce accurate results for materials with low thermal expansion coefficients.

Soulas, George C.↗
NASA NTRS2021

Development of a Numerical Modeling Approach for Buckling Analysis of Sandwich Composite Cylindrical Shells with Selected Results

The buckling response of geometrically perfect and imperfect cylindrical sandwich shells can be investigated using nonlinear finite element analyses with two-dimensional general-purpose shell elements. Such analyses are used in the NASA Engineering and Safety Center Shell Buckling Knockdown Factor Project, which has the goal of developing new analysis-based buckling design recommendations for select classes of sandwich composite cylindrical structures under uniaxial compressive load. As such, finite element models of sandwich composite cylinders were developed and analyses were performed to predict the buckling responses of geometrically perfect and imperfect sandwich composite cylinders. The development of the selected finite-element modeling approach for a sandwich composite cylinder is discussed. Buckling-response sensitivity of geometrically imperfect sandwich cylinders for various shell element types were investigated as part of this study. Preliminary results of geometric imperfections influence on buckling response of sandwich cylinders are also presented.

Structural Modeling↗
DOE OSTI2021

Crystallization by Amorphous Particle Attachment: On the Evolution of Texture

Abstract Crystallization by particle attachment (CPA) is a gradual process where each step has its own thermodynamic and kinetic constrains defining a unique pathway of crystal growth. An important example is biomineralization of calcium carbonate through amorphous precursors that are morphed into shapes and textural patterns that cannot be envisioned by the classical monomer‐by‐monomer approach. Here, a mechanistic link between the collective kinetics of mineral deposition and the emergence of crystallographic texture is established. Using the prismatic ultrastructure in bivalve shells as a model, a fundamental leap is made in the ability to analytically describe the evolution of form and texture of biological mineralized tissues and to design the structure and crystallographic properties of synthetic materials formed by CPA.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Self‐Assembly Methods Induce Different Individual‐Polymer‐Block Solvation Responses

An understanding of block-specific responses to stimuli in self-assembled copolymers is essential for the effective design of responsive materials. Here, materials formed from different post-reaction processing methods of the same ROMP block copolymer exhibit different block-specific solvent responses, as characterized in situ by fluorescence lifetime imaging microscopy (FLIM). FLIM data were acquired by tagging the polar or nonpolar block separately with a covalently incorporated viscosity-sensitive fluorescent molecular rotor to measure the changing tightness or looseness of assembly upon changes in solvent composition. Rapid precipitation from an insoluble solvent to form a film results in tighter assembly and less difference in tightness/looseness between the two blocks. Further, it interrupts individual block-solvent response behavior. Both results indicate an apparent disruption of the core–shell assembly. This model from FLIM is further supported by differential scanning calorimetry (DSC) and small-angle X-ray scattering (SAXS) data from isolated solids, which show tighter long-range interactions and more long-range order in these kinetically trapped states. Here, the experiments develop FLIM as a method for pinpointing stimuli-responsive behaviors from different processing methods to individual blocks. Together these outcomes provide a future handle for tailoring solvent-triggered assembly/disassembly behavior.

López, Pía A. [University of California, Irvine, C↗
DOE OSTI2018

Small-angle X-ray and neutron scattering demonstrates that cell-free expression produces properly formed disc-shaped nanolipoprotein particles

Nanolipoprotein particles (NLPs), composed of membrane scaffold proteins and lipids, have been used to support membrane proteins in a native-like bilayer environment for biochemical and structural studies. Traditionally, these NLPs have been prepared by the controlled removal of detergent from a detergent-solubilized protein-lipid mixture. Recently, an alternative method has been developed using direct cell-free expression of the membrane scaffold protein in the presence of preformed lipid vesicles, which spontaneously produces NLPs without the need for detergent at any stage. Using SANS/SAXS, we show here that NLPs produced by this cell-free expression method are structurally indistinguishable from those produced using detergent removal methodologies. This further supports the utility of single step cell-free methods for the production of lipid binding proteins. Lastly, in addition, detailed structural information describing these NLPs can be obtained by fitting a capped core-shell cylinder type model to all SANS/SAXS data simultaneously.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Novel evaporator architecture with entrance-length crossflow-paths for supercritical Organic Rankine Cycles

Here in this article, a novel geometry is proposed for evaporators that are used in Supercritical Organic Rankine Cycles. The proposed geometry consists of successive plenums at several length-scale levels, creating a multi-scale heat exchanger (HX). The channels at the lowest length-scale levels were considered to have their length determined by the thermal entrance-length. Numerical simulations based on turbulent flow correlations for supercritical R134a and water were used to evaluate the performance of heat exchangers. Using the data on pumping power and area of heat exchange, the total present cost was evaluated using a cost model for shell-and-tube heat exchangers. With respect to the shell-and-tube baseline case, the cost per heat load and total costs of new HXs is lowered by approximately 20–26% and 15–30%, respectively. This reduction in present costs of the new HXs were found to be attributed to higher operational costs for the shell-and-tube HXs, as evidenced by the higher pumping power, as well their capital investment costs. The cost savings in the new HX designs compared to those of the shell-and-tube HXs, at similar heat load performance, indicate that the new HX architectures proposed in this paper are valid alternatives to traditional HX designs.

42 ENGINEERING↗