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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Theoretical investigations on the structure and properties of p-n-alkoxy benzoic acid based liquid crystals

The present study focused on the structural conformations, alkoxy chain lengths and mesogenic properties of two mole of alkoxy benzoic acid(nOBA) and one mole of suberic acid (SA) hydrogen bonded (nOBASA) complexes (n=8 to 10) by density functional theory (DFT) calculations and the Fourier Transform Infrared (FT-IR) spectrum. The intermolecular hydrogen bond formation was confirmed by the optimized geometric bond lengths and bond angles obtained by computation. Using the natural bond orbital (NBO) analysis, the stability of the molecule arising from hyper conjugative interactions and charge delocalization has been analyzed. Results obtained shows that the charge in electron density (ED) in σ*and π* antibonding orbital and second order delocalization energies E(2) authorizes the occurrence of intermolecular charge transfer. The molecular electrostatic potential (MEP) surface map is plotted over the optimized geometry of the molecule to obtain the chemical reactivity of the molecule. From the local charge distributions, the mesomorphic behavior and the nematic phase stabilities for each of the molecule have been predicted. Finally the calculated result is applied to simulated infrared spectra of 8OBASA mesogens which shows good agreement with the observed spectra. The comparison of the theoretical results obtained with the experimental ones shows the reliability of this DFT method.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1993

IGES transformer and NURBS in grid generation

In the field of Grid Generation and the CAD/CAM, there are numerous geometry output formats which require the designer to spend a great deal of time manipulating geometrical entities in order to achieve a useful sculptured geometrical description for grid generation. Also in this process, there is a danger of losing fidelity of the geometry under consideration. This stresses the importance of a standard geometry definition for the communication link between varying CAD/CAM and grid system. The IGES (Initial Graphics Exchange Specification) file is a widely used communication between CAD/CAM and the analysis tools. The scientists at NASA Research Centers - including NASA Ames, NASA Langley, NASA Lewis, NASA Marshall - have recognized this importance and, therefore, in 1992 they formed the committee of the 'NASA-IGES' which is the subset of the standard IGES. This committee stresses the importance and encourages the CFD community to use the standard IGES file for the interface between the CAD/CAM and CFD analysis. Also, two of the IGES entities -- the NURBS Curve (Entity 126) and NURBS Surface (Entity 128) -- which have many useful geometric properties -- like the convex hull property, local control property and affine invariance, also widely utilized analytical geometries can be accurately represented using NURBS. This is important in today grid generation tools because of the emphasis of the interactive design. To satisfy the geometry transformation between the CAD/CAM system and Grid Generation field, the CAGI (Computer Aided Geometry Design) developed, which include the Geometry Transformation, Geometry Manipulation and Geometry Generation as well as the user interface. This paper will present the successful development IGES file transformer and application of NURBS definition in the grid generation.

Yu, Tzu-Yi↗
DOE OSTI2018

Low-field-actuated giant magnetocaloric effect and excellent mechanical properties in a NiMn-based multiferroic alloy

Multiferroic magnetic shape memory alloys with first-order magntostructural transformation exhibit much enhanced magnetocaloric effect which incorporates the latent heat associated with the phase transformation itself, but they suffer from the drawbacks of large hysteresis and transformation interval and consequently too high critical field to actuate the magnetocaloric effect, greatly impeding their applications. Here, by generating a kind of specific stacking-mediated structure of martensite through minor Al substitution to improve the geometric compatibility between martensite and austenite in the Ni 40 Co 10 Mn 40 Sn 9 Al 1 alloy, we greatly reduced the thermal hysteresis and transformation temperature interval while conserving the large magnetization difference between the two phases. Consequently, a low-field-actuated giant magnetocaloric effect with isothermal entropy change of 23 J kg –1 K –1 for a field change from 0 to 2 T, which is among the highest values reported heretofore for all magnetocaloric materials, was successfully achieved. Meanwhile, with minor Al substitution, the present single-phase multiferroic alloy that is intermetallic in nature exhibits superior mechanical properties, including excellent compressive properties over a wide temperature range and a relatively high fracture toughness, which are quite beneficial for practical applications. Lastly, by incorporating the advantages of low cost, environment friendliness and easy fabrication, this alloy shows great potential for magnetocaloric applications.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Baseline estimation with semidynamic and geometric satellite methods

The potential of a semidynamic method for an estimation of satellite position was investigated in a real data environment, using observations of Lageos collected during the MERIT campaign. In this method, quasi-simultaneous laser range observations of Lageos by pairs of stations were transformed to simultaneous range differences (SRDs), in order to reduce the effects of orbital and observational residual biases. Baselines obtained via the SRD method were compared to those obtained by the geometric method. It was found that, for baselines of regional extent, the SRD method is very efficient and at least as accurate as the more complex dynamic methods.

Dedes, George C.↗
DOE OSTI2022

Dislocation-induced stop-and-go kinetics of interfacial transformations

Most engineering materials are based on multiphase microstructures produced either through the control of phase equilibria or by the fabrication of different materials as in thin-film processing. In both processes, the microstructure relaxes towards equilibrium by mismatch dislocations (or geometric misfit dislocations) across the heterophase interfaces (1-5) . Despite their ubiquitous presence, directly probing the dynamic action of mismatch dislocations has been unachievable owing to their buried nature. In this work, using the interfacial transformation of copper oxide to copper as an example, we demonstrate the role of mismatch dislocations in modulating oxide-to-metal interfacial transformations in an intermittent manner, by which the lateral flow of interfacial ledges is pinned at the core of mismatch dislocations until the dislocation climbs to the new oxide/metal interface location. Together with atomistic calculations, we identify that the pinning effect is associated with the non-local transport of metal atoms to fill vacancies at the dislocation core. These results provide mechanistic insight into solid-solid interfacial transformations and have substantial implications for utilizing structural defects at buried interfaces to modulate mass transport and transformation kinetics.

25 ENERGY STORAGE↗
DOE OSTI2025

Additively-manufactured monocrystalline YBCO superconductor

Abstract Single-crystal microstructures enable high-performance YBa 2 Cu 3 O 7-x superconductors which are however limited to simple shapes due to their brittleness. Additive manufacturing can fabricate YBa 2 Cu 3 O 7-x superconductor with complex shapes, albeit with a polycrystalline microstructure. Here, we demonstrate a route to grow single-crystals from 3D-ink-printed, polycrystalline, sintered superconducting YBa 2 Cu 3 O 7-x (YBCO or Y123) + Y 2 BaCuO 5 (Y211), manufacturing objects with complex architectures displaying both high critical current density (J c =2.1 × 10 4 A . cm –2 , 77 K) and high critical temperature (T c = 88-89.5 K). An ink containing precursor powders (Y 2 O 3 , BaCO 3 , and CuO) is 3D-extruded into complex geometries and then reaction-sintered to obtain polycrystalline Y123 + Y211. A seed is then utilized to transform these 3D-printed parts from polycrystal to monocrystal via the melt growth method. The geometric details of 3D-printed parts survive the process without slumping, sagging or collapse, despite the long-term presence of liquid above the peritectic temperature. Origami structures can be created by sheet folding after 3D-printing. This additive approach enables the facile fabrication of superconducting devices with complex shapes and architectures, such as advanced undulator magnets to generate synchrotron radiation and microwave cavities for dark-matter axion search. This work highlights the potential of additive manufacturing for producing monocrystalline cuprate superconductors and opens the door to additive manufacturing of other monocrystalline functional ceramic or semiconductor materials.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Radiation power and linewidth of a semifluxon-based Josephson oscillator

We demonstrate a high-frequency generator operating at ∼200 GHz based on flipping a semifluxon in a Josephson junction of moderate normalized length. The semifluxon spontaneously appears at the π discontinuity of the Josephson phase artificially created by means of two tiny current injectors. The radiation is detected by an on-chip detector (tunnel junction). The estimated radiation power (at the detector) is ∼8 nW and should be compared with the dc power of ∼100 nW consumed by the generator. The measured radiation linewidth, as low as 1.1 MHz, is typical for geometrical (Fiske) resonances, although we tried to suppress such resonances by placing well-matched microwave transformers at its both ends. Making use of a phase-locking feedback loop, we are able to reduce the radiation linewidth to less than 1 Hz measured relative to the reference oscillator and defined just by the resolution of our measurement setup.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Electron-scale current sheets and energy dissipation in 3D kinetic-scale plasma turbulence with low electron beta

ABSTRACT Three-dimensional kinetic-scale turbulence is studied numerically in the regime where electrons are strongly magnetized (the ratio of plasma species pressure to magnetic pressure is βe = 0.1 for electrons and βi = 1 for ions). Such a regime is relevant in the vicinity of the solar corona, the Earth’s magnetosheath, and other astrophysical systems. The simulations, performed using the fluid-kinetic spectral plasma solver (sps) code, demonstrate that the turbulent cascade in such regimes can reach scales smaller than the electron inertial scale, and results in the formation of electron-scale current sheets (ESCS). Statistical analysis of the geometrical properties of the detected ESCS is performed using an algorithm based on the medial axis transform. A typical half-thickness of the current sheets is found to be on the order of electron inertial length or below, while their half-length falls between the electron and ion inertial length. The pressure–strain interaction, used as a measure of energy dissipation, exhibits high intermittency, with the majority of the total energy exchange occurring in current structures occupying approximately 20 per cent of the total volume. Some of the current sheets corresponding to the largest pressure–strain interaction are found to be associated with Alfvénic electron jets and magnetic configurations typical of reconnection. These reconnection candidates represent about 1 per cent of all the current sheets identified.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Simultaneous stoquasticity

Stoquastic Hamiltonians play a role in the computational complexity of the local Hamiltonian problem as well as the study of classical simulability. In particular, stoquastic Hamiltonians can be straightforwardly simulated using Monte Carlo techniques. We address the question of whether two or more Hamiltonians may be made simultaneously stoquastic via a unitary transformation. This question has important implications for the complexity of simulating quantum annealing where quantum advantage is related to the stoquasticity of the Hamiltonians involved in the anneal. We find that for almost all problems no such unitary exists and show that the problem of determining the existence of such a unitary is equivalent to identifying if there is a solution to a system of polynomial (in)equalities in the matrix elements of the initial and transformed Hamiltonians. Furthermore, solving such a system of equations is NP-hard. We highlight a geometric understanding of this problem in terms of a collection of generalized Bloch vectors.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1977

Digital exploitation of synthetic aperture radar

A digital processing and analysis scheme for use with digitized synthetic aperture radar data was developed. Using data from a four channel system, the imagery is preprocessed using specially designed software and then analyzed using preexisting facilities originally intended for use with MSS type data. Geometric and radiometric correction may be performed if desired, as well as classification analysis, Fast Fourier transform, filtering and level slice and display functions. The system provides low cost output in real time, permitting interactive imagery analysis. System information flow diagrams as well as sample output products are shown.

Wagner, H. L.↗
NASA NTRS1979

Analysis of NOAA-MSFC GOES X-ray telescope

The general telescope system was assumed to be a paraboloid-hyperboloid in a Wolter Type 1 configuration. The equations which specify the telescope parameters and the resolution as a function of the collecting area are discussed as well as the spot size and point response function for off-axis rays. The measured resolution of the Goddard ATM X-ray telescope (S-056) is compared to the rms blur circle radius and the full width half maximum of the line spread function. An empirical scaling formula, Eq. 26, which transforms the rms blur circle radius into a more accurate measure of resolution, is introduced. The geometrical imaging properties of the proposed NOAA-MSFC GOES X-ray telescope are considered. Conclusions and alternate mirror designs are included.

Shealy, D. L.↗
DOE OSTI2018

Non-minimally coupled scalar field in Kantowski–Sachs model and symmetry analysis

The paper deals with a non-minimally coupled scalar field in the background of homogeneous but anisotropic Kantowski–Sachs space–time model. The form of the coupling function of the scalar field with gravity and the potential function of the scalar field are not assumed phenomenologically, rather they are evaluated by imposing Noether symmetry to the Lagrangian of the present physical system. The physical system gets considerable mathematical simplification by a suitable transformation of the augmented variables (a,b,ϕ)→(u,v,w) and by the use of the conserved quantities due to the geometrical symmetry. Finally, cosmological solutions are evaluated and analyzed from the point of view of the present evolution of the Universe.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Wilson lines in the MHV action

The MHV action is the Yang-Mills action quantized on the light-front, where the two explicit physical gluonic degrees of freedom have been canonically transformed to a new set of fields. This transformation leads to the action with vertices being off-shell continuations of the MHV amplitudes. We show that the solution to the field transformation expressing one of the new fields in terms of the Yang-Mills field is a certain type of the Wilson line. More precisely, it is a straight infinite gauge link with a slope extending to the light-cone minus and the transverse direction. One of the consequences of that fact is that certain MHV vertices reduced partially on-shell are gauge invariant — a fact discovered before using conventional light-front perturbation theory. We also analyze the diagrammatic content of the field transformations leading to the MHV action. We found that the diagrams for the solution to the transformation (given by the Wilson line) and its inverse differ only by light-front energy denominators. Further, we investigate the coordinate space version of the inverse solution to the one given by the Wilson line. We find an explicit expression given by a power series in fields. We also give a geometric interpretation to it by means of a specially defined vector field. Finally, we discuss the fact that the Wilson line solution to the transformation is directly related to the all-like helicity gluon wave function, while the inverse functional is a generating functional for solutions of self-dual Yang-Mills equations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1979

Acceleration of linear and logarithmic convergence

Eleven different methods for accelerating convergence of sequences and series have been tested and compared on a wide range of test problems, including both linearly and logarithmically convergent series, monotone and alternating series. All but one of these methods are already in the literature, and they include both linear and nonlinear methods. The only methods found to accelerate convergence across the board were the u and v transforms of Levin and the theta algorithm of Brezinski. The paper gives detailed comparisons of all the tested methods on the basis of number of correct digits in the answer as a function of number of terms of the series used. A theorem of Germain-Bonne states that methods of a certain form which are exact on geometric series will accelerate linear convergence. The theorem applies to theta sub 2, and we have extended it to apply to Levin's transforms. No corresponding theorem is known for logarithmic convergence, but u, v, and theta are exact on certain large classes of logarithmic series, and all tested methods lacking this property failed to accelerate some logarithmically convergent series.

Smith, D. A.↗
DOE OSTI2014

Differences in volatile methyl siloxane (VMS) profiles in biogas from landfills and anaerobic digesters and energetics of VMS transformations

Highlights: • In the digester gas, D4 and D5 comprised the 62% and 27% if siloxanes, respectively. • In landfill gas, the bulk of siloxanes were TMSOH (58%) followed by D4 (17%). • Methane utilization may be a possible mechanism for TMSOH formation in the landfills. • The geometric configurations of D4 and D5 molecules make them very stable. - Abstract: The objectives of this study were to compare the types and levels of volatile methyl siloxanes (VMS) present in biogas generated in the anaerobic digesters and landfills, evaluate the energetics of siloxane transformations under anaerobic conditions, compare the conditions in anaerobic digesters and municipal solid waste (MSW) landfills which result in differences in siloxane compositions. Biogas samples were collected at the South District Wastewater Treatment Plant and South Dade Landfill in Miami, Florida. In the digester gas, D4 and D5 comprised the bulk of total siloxanes (62% and 27%, respectively) whereas in the landfill gas, the bulk of siloxanes were trimethylsilanol (TMSOH) (58%) followed by D4 (17%). Presence of high levels of TMSOH in the landfill gas indicates that methane utilization may be a possible reaction mechanism for TMSOH formation. The free energy change for transformation of D5 and D4 to TMSOH either by hydrogen or methane utilization are thermodynamically favorable. Either hydrogen or methane should be present at relatively high concentrations for TMSOH formation which explains the high levels present in the landfill gas. The high bond energy and bond distance of the Si–O bond, in view of the atomic sizes of Si and O atoms, indicate that Si atoms can provide a barrier, making it difficult to break the Si–O bonds especially for molecules with specific geometric configurations such as D4 and D5 where oxygen atoms are positioned inside the frame formed by the large Si atoms which are surrounded by the methyl groups.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Sonic Boom Propagation Model Based on a Single-Ray Jacobian

A sonic boom is a nonlinear event whose propagation can be modeled involving two stages. The first stage consists of ray path calculations using linear approximations, while the second stage deals with a nonlinear transport of the acoustic energy along these paths. This presentation discusses a second-order finite difference numerical approach used to predict the ray paths in range-dependent atmospheres and compares it to existing finite difference schemes. The approach is validated using exact solutions obtained for stratified atmospheres. In the second stage, the geometrical spreading effect needed in determining sonic boom waveforms from a Burgers' equation is obtained using a method that only needs a single ray rather than four rays required by most existing sonic boom propagation codes. The single-ray method calculates the Jacobian, associated with the coordinate transformation from a suitable ray coordinate system to the Cartesian coordinate system, directly from the ray tracing equations. While the four-ray method approximates the geometrical spreading using a finite difference scheme involving the four rays, the single-ray method does not rely on this approximation and instead depends purely on the acoustical kinematic properties of the atmosphere. Comparisons of results using these two methods are discussed.

sonic boom↗
DOE OSTI2014

Cigarettes vs. e-cigarettes: Passive exposure at home measured by means of airborne marker and biomarkers

Background: There is scarce evidence about passive exposure to the vapour released or exhaled from electronic cigarettes (e-cigarettes) under real conditions. The aim of this study is to characterise passive exposure to nicotine from e-cigarettes' vapour and conventional cigarettes' smoke at home among non-smokers under real-use conditions. Methods: We conducted an observational study with 54 non-smoker volunteers from different homes: 25 living at home with conventional smokers, 5 living with nicotine e-cigarette users, and 24 from control homes (not using conventional cigarettes neither e-cigarettes). We measured airborne nicotine at home and biomarkers (cotinine in saliva and urine). We calculated geometric mean (GM) and geometric standard deviations (GSD). We also performed ANOVA and Student's t tests for the log-transformed data. We used Bonferroni-corrected t-tests to control the family error rate for multiple comparisons at 5%. Results: The GMs of airborne nicotine were 0.74 μg/m{sup 3} (GSD=4.05) in the smokers’ homes, 0.13 μg/m{sup 3} (GSD=2.4) in the e-cigarettes users’ homes, and 0.02 μg/m{sup 3} (GSD=3.51) in the control homes. The GMs of salivary cotinine were 0.38 ng/ml (GSD=2.34) in the smokers’ homes, 0.19 ng/ml (GSD=2.17) in the e-cigarettes users’ homes, and 0.07 ng/ml (GSD=1.79) in the control homes. Salivary cotinine concentrations of the non-smokers exposed to e-cigarette's vapour at home (all exposed ≥2 h/day) were statistically significant different that those found in non-smokers exposed to second-hand smoke ≥2 h/day and in non-smokers from control homes. Conclusions: The airborne markers were statistically higher in conventional cigarette homes than in e-cigarettes homes (5.7 times higher). However, concentrations of both biomarkers among non-smokers exposed to conventional cigarettes and e-cigarettes’ vapour were statistically similar (only 2 and 1.4 times higher, respectively). The levels of airborne nicotine and cotinine concentrations in the homes with e-cigarette users were higher than control homes (differences statistically significant). Our results show that non-smokers passively exposed to e-cigarettes absorb nicotine. - Highlights: • This is the first study of e-cigarette exposure at home under real-use conditions. • Airborne nicotine in homes with smokers were 5.7 times higher than in e-cig homes. • Cotinine of non-smokers exposed to e-cig and conventional cigarettes was similar. • Airborne nicotine in homes with e-cig users was higher than control homes. • Cotinine of non-smokers exposed to e-cig users was higher than in those no exposed.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1980

Geometric methods in computational fluid dynamics

General methods for the construction of geometric computational fluid dynamic algorithms are presented which simulate a variety of flow fields in various nontrivial regions. Included are: basic developments with tensors; various forms for the equations of motion; generalized numerical methods and boundary conditions; and methods for mesh generation to meet the strong geometric constraints of turbomachines. Coordinate generation is shown generally to yield mesh descriptions from one or more transformations that are smoothly joined together to form a composite mesh.

Eiseman, P. R.↗