SEARCH · Engineering Papers

Results for “structural alignment”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 523 records · Page 29

All sources NASA NTRS DOE OSTI

NASA NTRS2011

Observations of Low-Latitude Plasma Density Enhancements and their Associated Plasma Drifts

Plasma density structures are frequently encountered in the nighttime low-latitude ionosphere by probes on the Communication/Navigation Outage Forecasting System (C/NOFS) satellite. Of particular interest to us here are plasma density enhancements, which are typically observed +/- 15 deg away from the magnetic equator. The low inclination of the C/NOFS satellite offers an unprecedented opportunity to examine these structures and their associated electric fields and plasma velocities, including their field-aligned components, along an east-west trajectory. Among other observations, the data reveal a clear asymmetry in the velocity structure within and around these density enhancements. Previous observations have shown that the peak change in drift velocity associated with a density enhancement occurs simultaneously both perpendicular and parallel to the magnetic field, while the 1results in this paper show that the peak change in parallel fl ow typically occurs 25-100 km to the east of the peak perpendicular ow. We discuss this and other aspects of the observations in relation to the characteristics of the plasma depletions formed near the magnetic equator detected by the same probes on the C/NOFS satellite and to previous observations and theories.

Klenzing, J. H.↗

NASA NTRS2000

A Tool for Automatic Data Distribution for CFD Applications on Structured Grids

Development of HPF versions of NPB and ARC3D has shown that HPF provides an efficient, concise way to express parallelism and to organize data traffic. The use of HPF, as noted in the papers, requires an intimate knowledge of the applications and a detailed analysis of data affinity, data movement, and data granularity. To simplify and accelerate the task of developing HPF versions of existing CFD applications we have designed and implemented ADAPT (Automatic Data Alignment and Placement Tool). ADAPT analyzes a CFD application working on a single structured grid and generates HPF TEMPLATE, (RE)DISTRIBUTION, ALIGNMENT, and INDEPENDENT directives. The directives can be generated on the nest level, subroutine level, application level, or on the application interface level. ADAPT annotates an existing CFD FORTRAN application, performing computations on single or multiple grids. On each grid the application is considered as a sequence of operators, each applied to a set of variables defined in a particular grid domain. ADAPT automatically detects implicit operators (i.e., having data dependences) and explicit operators (without data dependences). For parallelization of an explicit operator ADAPT creates a template for the operator domain, aligns arrays used in the operator with the template, distributes the template, and declares the loops over the distributed dimensions as INDEPENDENT. For parallelization of an implicit operator, the distribution of the operator's domain should be consistent with the operator's dependences. Any dependence between sections distributed on different processors would preclude parallelization if the compiler does not have an ability to pipeline computations. If a data distribution is "orthogonal" to the dependences of an implicit operator, then the loop which implements the operator can be declared as INDEPENDENT. ADAPT starts with an analysis of array index expressions of the loop nests. For each pair of arrays referenced in an assignment statement, it generates an arc in the alignment graph and annotates it with an affinity relation. The template, alignment, and distribution directives for a particular loop nest are then derived from a transitive closure of the affinity relation. A compromise of data distributions in different nests and subroutines is achieved by merging annotated alignment graphs for adjacent nests/stibroutine calls in the nest/call graph of the application in the process called distribution lifting. ADAPT has been implemented as a C++ program running in conjunction with a parallelization tool called CAPTools. ADAPT uses the parse tree, interprocedural analysis and application database generated by CAPTools. It also uses the Directed Graph class, initially implemented in p2d2 (parallel debugger oi distributed programs), and some other classes supporting symbolic computations. ADAPT uses data distribution techniques described. ADAPT was tested with ARC3D and the FT benchmark and has demonstrated a code performance within a factor of 1.5 of handwritten versions.

Frumkin, Michael↗

DOE OSTI2022

Targeted Adjusting Molecular Arrangement in Organic Solar Cells via a Universal Solid Additive

The incorporation of solid additive has been considered as an effective strategy for developing organic photovoltaics with multi-components, which is independent of dynamics, playing unique roles in morphology adjustment. However, their complex working mechanisms involving specific chemical structures are selective to material systems, hence limiting their university and flexibility in application. Herein, an inert small-molecular compound naphtho[1,2-c:5,6-c′]bis[1,2,5]thiadiazole (NT) is introduced into the bulk-heterojunction blend as the solid additive, which can function with various material systems and solvents, depending on its simple π-conjugated structure and S⋯N interaction for adjusting molecular alignment. It is interesting to note that the introduced NT can not only improve device performance, but also simplify complicated pre- or post-processing methods, reduce impact from batch-to-batch differences, construct sufficient energy transfer channel as well as improve device stability. The resulting devices based on PTzBI-dF:Y6-BO system show an impressive power conversion efficiency of 17.4% with obviously enhanced T 80 lifetime of >1200 h. These findings provide useful guidelines for exploring potential universal solid additives benefitting toward commercial application.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Impacts of annealing treatment on the microstructure of U-Mo monolithic fuel plates

The objective of this paper is to analyze the effect of different heat treatments on the fuel microstructure and texture in laboratory scale monolithic U-Mo fuel plates. Such analyses are relevant as they could possibly inform future fabrication methods for the optimization of microstructure and of material properties to ultimately improve fuel performance during irradiation. For this reason, detail characterization including Energy x-ray dispersive spectroscopy (EDS) and electron backscattered diffraction (EBSD) techniques were applied on U-Mo plates fabricated with different heat treatments to understand the influence of fabrication on fuel microstructure. Here, U-Mo fresh fuel specimens with or without annealing treatments (homogenization and stress release annealing) after rolling were analyzed in this work. In this study for the first time EBSD was systematically used to analyze the heat treatments influence on texture present in fresh fuel monolithic U-Mo fuel plates. Such changes were connected to other known microstructural and chemical changes. In this work minimization of molybdenum concentration variation and gamma phase decomposition of the U-Mo fuel core after homogenization was observed. Also, an increase in the interaction layer of the U-Mo fuel core with the Zr interlayer diffusion barrier was observed with the UZr 2 growing up to 1 µm in thickness. Such microstructural changes were aligned to the changes in texture and grain structure. Indeed, common texture observed in body-centered cubic (BCC) metal after cold rolling (e.g., α, ξ, γ fibers) were minimized by the annealing/homogenization process. Moreover, grain structure was influenced by the fabrication route with elongated grains formed in the rolled sample and equiaxed grains found after annealing. Such features are relevant since the formation of microstructural features formed during fuel fabrication can impact fuel performance in reactor.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Gaussian integral method for void fraction

Here, a novel method, the Gaussian Integral Method (GIM), is presented for calculating void fractions in Computational Fluid Dynamics–Discrete Element Method (CFD-DEM) simulations. GIM is versatile and applicable to various grid types, including structured and unstructured polyhedral meshes, without requiring special boundary treatments. An optimization technique is introduced to make GIM independent of grid resolution and type. The method is validated against experimental data from a fluidized bed, demonstrating that GIM produces realistic simulations closely resembling experimental observations. Additionally, unstructured polyhedral grids using GIM outperform structured grids of equivalent resolution, yielding results more aligned with experimental data. The gradient of the void fraction is computed in the CFD solver and utilized in the DEM solver for precise estimation at particle locations. Overall, GIM provides an effective solution for void fraction calculations in particulate media simulations with complex geometries, enhancing the accuracy and applicability of CFD-DEM simulations for industrial processes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2021

Laponite-Incorporated UiO-66-NH2-Polyethylene Oxide Composite Membranes for Protection against Chemical Warfare Agent Simulants

A strategy is developed to enhance the barrier protection of polyethylene oxide (PEO)-metal–organic framework (MOF) composite films against chemical warfare agent simulants. To achieve enhanced protection, an impermeable high-aspect-ratio filler in the form of Laponite RD (LRD) clay platelets was incorporated into a composite PEO film containing MOF UiO-66-NH 2 . The inclusion of the platelets aids in mitigating permeation of inert hydrocarbons (octane) and toxic chemicals (2-chloroethyl ethyl sulfide, 2-CEES) of dimensions/chemistry similar to prominent vesicant threats while still maintaining high water vapor transport rates (WVTR). By utilizing small-angle neutron scattering, small-angle X-ray scattering, and wide-angle X-ray scattering, the LRD platelet alignment of the films was determined, and the structure of the films was correlated with performance as a barrier material. Performance of the membranes against toxic chemical threats was assessed using permeation testing of octane and 2-CEES, a common simulant for the vesicant mustard gas, and breathability of the membranes was assessed using WVTR measurements. To assess their robustness, chemical exposure (in situ diffuse reflectance infrared Fourier transform spectroscopy) and mechanical (tensile strength) measurements were also performed. It was demonstrated that the barrier performance of the film upon inclusion of the LRD platelets exceeds that of other MOF-polymer composites found in the literature and that this approach establishes a new path for improving permselective materials for chemical protection applications.

36 MATERIALS SCIENCE↗

DOE OSTI2026

High-throughput computation of electric polarization in solids via Berry flux diagonalization

Electric polarization in the absence of an externally applied electric field is a key property of polar materials, but the standard interpolation-based ab initio approach to compute polarization differences within the modern theory of polarization presents challenges for automated high-throughput calculations. Berry flux diagonalization [J. Bonini et al., Phys. Rev. B 102, 045141 (2020)] has been proposed as an efficient and reliable alternative, though it has yet to be widely deployed. Here, we assess Berry flux diagonalization using ab initio calculations of a large set of materials, introducing and validating heuristics that ensure branch alignment with a minimal number of intermediate interpolated structures. Our automated implementation of Berry flux diagonalization succeeds in cases where prior interpolation-based workflows fail due to band-gap closures or branch ambiguities. Benchmarking with ab initio calculations of 176 candidate ferroelectrics, we demonstrate the efficacy of the approach on a broad range of insulating materials and obtain accurate effective polarization values with fewer interpolated structures than prior automated interpolation-based workflows. Our real-space heuristics that can predict gauge stability a priori from ionic displacements enable a general automated framework for reliable polarization calculations and efficient high-throughput screening of chemically and structurally diverse polar insulators. These results establish Berry flux diagonalization as a robust and efficient method to compute the effective polarization of solids and to accelerate the data-driven discovery of functional polar materials.

Poteshman, Abigail N. [University of Chicago, IL (↗

DOE OSTI2025

Fusion and fission of particle-like chiral nematic vortex knots

Vortex knots have been seen decaying in many physical systems. Here we describe topologically protected vortex knots, which remain stable and undergo fusion and fission and conserve a topological invariant. The host medium, a chiral nematic liquid crystal, exhibits intrinsic chirality of molecular alignment, whereas cores of the vortex lines are structurally achiral regions in which a molecular twist cannot be defined. We can reversibly switch between fusion and fission of these vortex knots by applying electric pulses. This reveals the physical embodiments of concepts in knot theory, such as connected sums of knots and band surgeries. Our findings demonstrate the interplay of chirality effects at hierarchical levels from constituent molecules to the host medium and the energetically stable chiral vortex knots. This emergent physical behaviour may enable applications in electro-optics and photonics in which such fusion and fission processes of vortex knots can be used for controlling light.

Applied mathematics↗

DOE OSTI2024

Sheath constraints on turbulent magnetised plasmas

Abstract A solid target in contact with a plasma charges (negatively) to reflect the more mobile species (electrons) and thus keep the bulk plasma quasineutral. To shield the bulk plasma from the charged target, there is an oppositely (positively) charged sheath with a sharp electrostatic potential variation on the Debye length scale λ D . In magnetised plasmas where the magnetic field is inclined at an oblique angle α with the target, some of the sheath potential variation occurs also on the ion sound gyroradius length scale ρ S cos ⁡ α , caused by finite ion gyro-orbit distortion and losses. We consider a collisionless and steady-state magnetised plasma sheath whose thickness l ms ∼ max ( λ D , ρ S cos ⁡ α ) is smaller than the characteristic length scale L of spatial fluctuations in the bulk plasma, such that the limit l ms / L → 0 is appropriate. Spatial structures are assumed to be magnetic field-aligned. In the case of small magnetic field angle α ∼ δ ≡ ρ S / L ≪ 1 , electric fields tangential to the target transport ions towards the target via E × B drifts at a rate comparable to the one from parallel streaming. A generalised form of the kinetic Bohm–Chodura criterion at the sheath entrance is derived by requiring that the sheath electric field have a monotonic spatial decay far from the target. The criterion depends on tangential gradients of potential and ion distribution function, with additional nontrivial conditions.

kinetic Bohm–Chodura condition↗

DOE OSTI2020

Chaperone-tip adhesin complex is vital for synergistic activation of CFA/I fimbriae biogenesis

Colonization factor CFA/I defines the major adhesive fimbriae of enterotoxigenic Escherichia coli and mediates bacterial attachment to host intestinal epithelial cells. The CFA/I fimbria consists of a tip-localized minor adhesive subunit, CfaE, and thousands of copies of the major subunit CfaB polymerized into an ordered helical rod. Biosynthesis of CFA/I fimbriae requires the assistance of the periplasmic chaperone CfaA and outer membrane usher CfaC. Although the CfaE subunit is proposed to initiate the assembly of CFA/I fimbriae, how it performs this function remains elusive. Here, we report the establishment of an in vitro assay for CFA/I fimbria assembly and show that stabilized CfaA-CfaB and CfaA-CfaE binary complexes together with CfaC are sufficient to drive fimbria formation. The presence of both CfaA-CfaE and CfaC accelerates fimbria formation, while the absence of either component leads to linearized CfaB polymers in vitro. We further report the crystal structure of the stabilized CfaA-CfaE complex, revealing features unique for biogenesis of Class 5 fimbriae.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Oxides related to cadmium telluride solar cells

Polycrystalline cadmium telluride (CdTe) is a leading material in photovoltaic technology due to its high absorption coefficient and near-optimum bandgap of 1.44 eV. It is known that CdTe film processing can promote surface oxidation depending on the growth environment and upon exposure to different oxidation conditions. For example, CdTeO3 forms when the CdTe film is treated in heated dry air, while in humid air, CdTe2O5 is detected. These oxides feature tellurium in the oxidation state +4 compared to the +2 state in CdTe. Other possible relevant oxides are CdO, TeO2, and TeO3. Using hybrid density functional calculations, we studied the electronic structure of these oxide materials and their band alignment to CdTe, which are essential parameters in the characterization of the interfaces at grain boundaries. The goal is to understand their stability and possible effects on passivating grain boundaries. The results are compared to the available experimental data.

14 SOLAR ENERGY↗

NASA NTRS1978

Friction of thick laminates

Technique which improves fiber alignment and reduces void content of thick laminated structures is readily applicable to structures that contain sections such as ribs, channels, or bosses joined to thin stems of same material.

Dickerson, G. E.↗

NASA NTRS1984

Radial SI latches vibration test data review

Dynamic testing of the Space Telescope Scientific Instrument Radial Latches was performed as specified by the designated test criteria. No structural failures were observed during the test. The alignment stability of the instrument simulator was within required tolerances after testing. Particulates were discovered around the latch bases, after testing, due to wearing at the B and C latch interface surfaces. This report covers criteria derivation, testing, and test results.

Harrison, P. M.↗

NASA NTRS1987

Kinematics and dynamics of the Uranian rings

The self-gravity model of apse alignment was tested by comparing its predictions about structure within the epsilon ring with an extensive set of observed occultation profiles covering a wide range of ring longitudes. The self-gravity model as presently constructed is inconsistent with the observations. The Lindblad resonance survey and Shepherd satellite ring perturbation are discussed. The kinematic model of the Uranian ring orbit was enhanced to accommodate Voyager observations as well as ground-based occultation observations.

French, Richard G.↗

NASA NTRS1986

Characteristics of auroral electron precipitation on the morningside

A quantitative description of the electron precipitation within the morningside aurora is presented based on observations of precipitating electrons obtained from the low-altitude DMSP-F6 satellite. The equatorward region of the diffuse aurora is found to have precipitating electron energy fluxes which typically reach 10 ergs/sq cm-s, and such fluxes can extend over several degrees in latitude. Energy spectra over the diffuse aurora are quite hard and show no evidence of acceleration by field-aligned potential drop. The poleward region of the structured aurora includes a soft background of relatively weak, uniform precipitation. Omega band waves are occasionally observed along the poleward boundary of the diffuse aurora.

Lyons, L. R.↗

NASA NTRS1991

Optical polarization of a complete sample of radio sources

The radio and optical properties of a complete 5 GHz sample of strong radio sources are studied. High polarization is strongly correlated with the fraction of the total 5 GHz flux density found in a milliarcsec core. The detection rate of radio galaxies containing optical cores with high polarization is consistent with the hypothesis that all radio sources contain optically polarized cores, with strength proportional to the core radio flux density. High optical polarization, optical power-law fraction, line-to-continuum ratio, emission lines of small equivalent widths, and large amplitude flux variability are all strongly correlated with the fraction of the 5 GHz radio flux density that is unresolved on VLBI scales. The distributions of these properties are well matched by a model where radio and optical radiation have the same beaming geometry and with Doppler boosting of a factor of 10-100 in the optical. A striking alignment of the position angle of the VLBI structure axis and the position angle of optical polarization in highly polarized sources is confirmed.

Impey, C. D.↗

NASA NTRS1991

Magnetic field draping at the low-latitude magnetopause

Magnetohydrodynamic simulations are used to investigate the structure of the low-latitude magnetopause for interplanetary magnetic field conditions with a dominant southward component. The structure is self-consistently calculated as an initial-value problem in which the system is allowed to evolve into a quasi-steady state. All components of the 3D velocity and magnetic field as well as compressibility, resistivity, and viscosity are included in the 2D calculation. The simulation model shows that magnetic field draping can occur at the magnetopause boundary when magnetic merging takes place in the presence of a tangential shear flow. For 'normal' (positive Bx) draping, the higher-latitude portion of the field lines are curved toward the sun on the magnetospheric side of the magnetopause and away from the sun on the magnetosheath side. The thickness of the normal draping structure scales with the viscosity. The field-aligned current system that accompanies normal magnetic draping is consistent with the sense of the region 1 currents that flow into the dayside ionosphere.

Richard, R. L.↗

NASA NTRS1991

The dust enshrouded quasar in the ultraluminous galaxy Markarian 463 - Radio, near-infrared, and optical imaging

New imaging data are presented at radio, near-infrared, and optical wavelengths to elucidate the processes associated with the ongoing merger and nuclear activity in Mrk 463. Imaging at 20 cm reveals previously unknown components 4 arcsec north and 18 arcsec south of Mrk 463E, and a source 10 arcsec to the northwest which is believed to be linked to the nuclear region. The western nucleus, Mrk 463W, was detected at 6 and 20 cm; it has a radio luminosity comparable to that of a moderately luminous Seyfert galaxy or a highly luminous starburst galaxy. Near-infrared images at wavelengths less than 2.3 microns show the two nuclei; only Mrk 463E has been detected at 3.7 microns. Brightness profiles of Mrk 463E are unresolved at K and L-prime, but extended at J. It is inferred from the fact that radio continuum components 4-18 kpc from the nucleus are aligned with previously known 0.05-1.5 kpc radio structure and extended conical O-III forbidden omission lines that Mrk 463E is powering weak radio lobes and therefore exemplifies a transition between the confined linear sources in Seyfert galaxies and the extended lobes in classical quasars and radio galaxies.

Mazzarella, J. M.↗