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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Tuning of strong nonlinearity in radio-frequency superconducting-quantum-interference-device meta-atoms

Strong nonlinearity of a self-resonant radio-frequency (rf) superconducting-quantum-interference-device (SQUID) meta-atom is explored via intermodulation (IM) measurements. Previous work in zero dc magnetic flux showed a sharp onset of IM response as the frequency sweeps through the resonance. A second onset at higher frequency was also observed, creating a prominent gap in the IM response. By extending those measurements to nonzero dc flux, different dynamics are revealed, including dc flux tunability of the aforementioned gaps and enhanced IM response near geometric resonance of the rf SQUID. These features observed experimentally are understood and analyzed theoretically through a combination of a steady-state analytical modeling and a full numerical treatment of the rf SQUID dynamics. The latter in addition predicts the presence of chaos in narrow parameter regimes. Here, the understanding of intermodulation in rf SQUID metamaterials is important for producing low-noise amplification of microwave signals and tunable filters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1990

Trajectory optimization for an asymmetric launch vehicle

A numerical optimization technique is used to fully automate the trajectory design process for an symmetric configuration of the proposed Advanced Launch System (ALS). The objective of the ALS trajectory design process is the maximization of the vehicle mass when it reaches the desired orbit. The trajectories used were based on a simple shape that could be described by a small set of parameters. The use of a simple trajectory model can significantly reduce the computation time required for trajectory optimization. A predictive simulation was developed to determine the on-orbit mass given an initial vehicle state, wind information, and a set of trajectory parameters. This simulation utilizes an idealized control system to speed computation by increasing the integration time step. The conjugate gradient method is used for the numerical optimization of on-orbit mass. The method requires only the evaluation of the on-orbit mass function using the predictive simulation, and the gradient of the on-orbit mass function with respect to the trajectory parameters. The gradient is approximated with finite differencing. Prelaunch trajectory designs were carried out using the optimization procedure. The predictive simulation is used in flight to redesign the trajectory to account for trajectory deviations produced by off-nominal conditions, e.g., stronger than expected head winds.

Sullivan, Jeanne Marie↗
NASA NTRS2018

Cyclic Symmetry Finite Element Forced Response Analysis of a Distortion-Tolerant Fan with Boundary Layer Ingestion

Accurate prediction of the blade vibration stress is required to determine overall durability of fan blade design under Boundary Layer Ingestion (BLI) distorted flow environments. Traditional single blade modeling technique is incapable of representing accurate modeling for the entire rotor blade system subject to complex dynamic loading behaviors and vibrations in distorted flow conditions. A particular objective of our work was to develop a high-fidelity full-rotor aeromechanics analysis capability for a system subjected to a distorted inlet flow by applying cyclic symmetry finite element modeling methodology. This reduction modeling method allows computationally very efficient analysis using a small periodic section of the full rotor blade system. Experimental testing by the use of the 8-foot by 6-foot Supersonic Wind Tunnel Test facility at NASA Glenn Research Center was also carried out for the system designated as the Boundary Layer Ingesting Inlet/Distortion-Tolerant Fan (BLI2DTF) technology development. The results obtained from the present numerical modeling technique were evaluated with those of the wind tunnel experimental test, toward establishing a computationally efficient aeromechanics analysis modeling tool facilitating for analyses of the full rotor blade systems subjected to a distorted inlet flow conditions. Fairly good correlations were achieved hence our computational modeling techniques were fully demonstrated. The analysis result showed that the safety margin requirement set in the BLI2DTF fan blade design provided a sufficient margin with respect to the operating speed range.

forced response analysis↗
NASA NTRS1994

Three-dimensional fully spectral numerical method for mantle convection with depth-dependent properties

A semi-implicit fully spectral collocation method for the simulation of three-dimensional mantle convection with depth-dependent thermo-dynamic and transport properties is presented. The variable property Navier-Stokes equation expressed in terms of the primitive variable velocity and pressure is solved with the mass continuity and temperature equations. The periodic horizontal boundary conditions allow a Fourier expansion for the two horizontal directions. The stress-free, impermeable isothermal boundary conditions along with the depth dependent coefficients are handled with a Chebyshev expansion in the vertical direction. In the limit of an infinite Prandtl number appropriate to mantle convection, the inertial terms in the momentum equation are unimportant. In this case an explicit solution of a Poisson equation for pressure can be avoided; instead a fourth-order equation for vertical velocity can be solved. Simultaneous imposition of both impermeable and continuity boundary conditions during the vertical velocity evaluation is discussed. The pressure distributions on the top and bottom bounding planes were determined by means of an influence matrix technique. The numerical method employed here avoids time-splitting errors and enforces velocity boundary conditions and continuity over the entire domain, including the boundaries, to machine accuracy. Strongly time-dependent three-dimensional solutions up to a surface Rayleigh number of 1 x 10(exp 7) have been obtained. Strong upwellings, pulsating chaotically, are formed by the collective merging of cylindrical plumes.

Balachandar, S.↗
DOE OSTI2022

Critical points of the random cluster model with Newman–Ziff sampling

Here, we present a method for computing transition points of the random cluster model using a generalization of the Newman–Ziff algorithm, a celebrated technique in numerical percolation, to the random cluster model. The new method is straightforward to implement and works for real cluster weight q > 0. Furthermore, results for an arbitrary number of values of q can be found at once within a single simulation. Because the algorithm used to sweep through bond configurations is identical to that of Newman and Ziff, which was conceived for percolation, the method loses accuracy for large lattices when q > 1. However, by sampling the critical polynomial, accurate estimates of critical points in two dimensions can be found using relatively small lattice sizes, which we demonstrate here by computing critical points for non-integer values of q on the square lattice, to compare with the exact solution, and on the unsolved non-planar square matching lattice. The latter results would be much more difficult to obtain using other techniques.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1998

Flow and Turbulence Modeling and Computation of Shock Buffet Onset for Conventional and Supercritical Airfoils

Flow and turbulence models applied to the problem of shock buffet onset are studied. The accuracy of the interactive boundary layer and the thin-layer Navier-Stokes equations solved with recent upwind techniques using similar transport field equation turbulence models is assessed for standard steady test cases, including conditions having significant shock separation. The two methods are found to compare well in the shock buffet onset region of a supercritical airfoil that involves strong trailing-edge separation. A computational analysis using the interactive-boundary layer has revealed a Reynolds scaling effect in the shock buffet onset of the supercritical airfoil, which compares well with experiment. The methods are next applied to a conventional airfoil. Steady shock-separated computations of the conventional airfoil with the two methods compare well with experiment. Although the interactive boundary layer computations in the shock buffet region compare well with experiment for the conventional airfoil, the thin-layer Navier-Stokes computations do not. These findings are discussed in connection with possible mechanisms important in the onset of shock buffet and the constraints imposed by current numerical modeling techniques.

Bartels, Robert E.↗
NASA NTRS1975

A computerized symbolic integration technique for development of triangular and quadrilateral composite shallow-shell finite elements

Computerized symbolic integration was used in conjunction with group-theoretic techniques to obtain analytic expressions for the stiffness, geometric stiffness, consistent mass, and consistent load matrices of composite shallow shell structural elements. The elements are shear flexible and have variable curvature. A stiffness (displacement) formulation was used with the fundamental unknowns consisting of both the displacement and rotation components of the reference surface of the shell. The triangular elements have six and ten nodes; the quadrilateral elements have four and eight nodes and can have internal degrees of freedom associated with displacement modes which vanish along the edges of the element (bubble modes). The stiffness, geometric stiffness, consistent mass, and consistent load coefficients are expressed as linear combinations of integrals (over the element domain) whose integrands are products of shape functions and their derivatives. The evaluation of the elemental matrices is divided into two separate problems - determination of the coefficients in the linear combination and evaluation of the integrals. The integrals are performed symbolically by using the symbolic-and-algebraic-manipulation language MACSYMA. The efficiency of using symbolic integration in the element development is demonstrated by comparing the number of floating-point arithmetic operations required in this approach with those required by a commonly used numerical quadrature technique.

Anderson, C. M.↗
DOE OSTI2021

The Application of Differential Scanning Calorimetry to Investigate Precipitation Behavior in Nickel-Base Superalloys Under Continuous Cooling and Heating Conditions

In this study, a suite of experimental tools and fast-acting, numerical-simulation techniques was used to quantify the precipitation behavior of three nickel-base superalloys: IN-100, LSHR, and 718. Experimental methods comprised differential scanning calorimetry (DSC) to establish the specific heat as a function of temperature and selected direct-resistance heating trials (using a Gleeble ® machine) to obtain samples for microstructural analysis. For the DSC experiments, each alloy was cooled at a prescribed constant rate (between 5 and 20 K/min) after an initial soak/equilibration in the high-temperature, single-phase (supersolvus) temperature regime. On-heating DSC trials beginning at ambient temperature were also performed on alloy 718 in three different starting conditions: super- δ -solvus solution treated and water quenched (denoted as ST), solution treated and aged (STA), and solution treated and overaged (STOA). DSC results, revealing the thermal signatures associated with the kinetics of precipitation of γ ' (IN-100, LSHR) or γ ' and γ " (718), were interpreted using a previously-developed fast-acting routine that treats concurrent nucleation, growth, coarsening, and dissolution. For these simulations, special attention was paid to various thermo-kinetic input parameters including equilibrium solvus-approach curves, bulk free energies of transformation, matrix-precipitate interface energies, and effective diffusivities. For the γ - γ ' superalloys (IN-100 and LSHR), estimates of precipitate volume fraction as a function of temperature from the specific-heat data revealed semi-quantitative agreement with simulation predictions. For the γ - γ '- γ " superalloy (718), simulation predictions of precipitate volume fractions were converted to specific heat as a function of temperature and showed semi-quantitative agreement with the direct measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2025

CFD modeling of turbulent air flow in self-heated gyroid TPMS structures: Thermal-hydraulic performance and validation

The application of mathematically derived geometries, such as triply periodic minimal surface (TPMS) lattices, has garnered significant interest across various fields, including the nuclear sector, due to their superior thermal-hydraulic characteristics for heat transfer compared to traditional plain or finned tubes. Here, this study validates a computational fluid dynamics (CFD) model, evaluates different turbulence models and CFD model settings, and performs uncertainty quantification to provide a comprehensive analysis. Despite extensive research on CFD modeling of TPMS lattices, such as gyroid and diamond geometries, there is a notable lack of publicly available literature providing comprehensive details on numerical analysis aspects, including convergence and methodological best practices. This study embarks on a benchmark analysis of a gyroid geometry to evaluate its thermal-hydraulic performance under turbulent flow conditions and scrutinize various CFD model configurations. The main contributions of this work include validating the CFD model, assessing and comparing different turbulence models, and enhancing pressure drop and temperature prediction capabilities. The results aim to support the development of methodologies needed to benchmark and enhance numerical analysis techniques for TPMS lattices. This work seeks to complement the existing body of knowledge, support the development of TPMS reactor concepts, and improve best practices for CFD modeling of TPMS lattices, ultimately advancing methodologies to support future applications in this domain.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Shock compression behavior of stainless steel 316L octet-truss lattice structures

Lattice structures offer desirable mechanical properties for applications of energy absorption and impact mitigation but limited research has been carried out on their shock compression behavior. In this work, the shock compression behavior of stainless steel 316L (SS316L) octet-truss lattice structures was investigated through experimental techniques and numerical simulations. Plate impact experiments with high-speed imaging were conducted at impact velocities of 270 – 390 m/s on lattice specimens with 5x5x10 unit cell geometries additively manufactured (AM) using direct metal laser sintering. High-speed imaging together with digital image correlation was used to extract full-field measurements and define a two-wave structure consisting of an elastic wave and planar compaction (shock) wave which propagated along the impact direction. A linear shock velocity versus particle velocity relation was found to approximate the measurements with a unit slope and a linear fit constant equal to the crushing speed. Furthermore, the shock velocity versus particle velocity relation, full-field measurements, and elastic limit together with the Eulerian form of the Rankine-Hugoniot jump conditions were used to find relations for the stress and internal energy behind the shock. Stress behind the shock increased with relative density and particle velocity, and specific internal energy converged to a single curve similar to that of bulk AM SS316L. Explicit finite element analysis using the Johnson-Cook constitutive model demonstrated similar shock behavior observed in experiments and a linear shock velocity versus particle velocity relation and corresponding Hugoniot calculations were found to be in agreement with experimental results. Numerical simulations confirmed negligible effects of exterior versus interior measurements and further validated the application of one-dimensional shock theory.

42 ENGINEERING↗
DOE OSTI2024

Direct Mapping of Polyclonal Epitopes in Serum by HDX-MS

Elucidating the interactions that drive antigen recognition is central to understanding antibody-mediated protection and is vital for the rational design of immunogens. Often, structural knowledge of epitopes targeted by antibodies is derived from isolated studies of monoclonal antibodies, for which numerous structural techniques exist. In contrast, there are very few approaches capable of mapping the full scope of antigen surfaces targeted by polyclonal sera through the course of a natural antibody response. Here, in this study, we develop an approach using immobilized antigen coupled to hydrogen/deuterium exchange with mass spectrometry (HDX-MS) to probe epitope targeting in the context of the fully native serum environment. Using the well-characterized Staphylococcal enterotoxin B (SEB) as a model system, we show that complex combinations of epitopes can be detected and subtle differences across different anti-sera can be discerned. This work reveals new insight into how neutralizing antibodies and antisera target SEB, and more importantly, establishes a novel method for directly mapping the epitope landscape of polyclonal sera.

antigens↗
DOE OSTI2020

Spectrally reconfigurable quantum emitters enabled by optimized fast modulation

The ability to shape photon emission facilitates strong photon-mediated interactions between disparate physical systems, thereby enabling applications in quantum information processing, simulation and communication. Spectral control in solid state platforms such as color centers, rare earth ions, and quantum dots is particularly attractive for realizing such applications on-chip. Here we propose the use of frequency-modulated optical transitions for spectral engineering of single photon emission. Using a scattering-matrix formalism, we find that a two-level system, when modulated faster than its optical lifetime, can be treated as a single-photon source with a widely reconfigurable photon spectrum that is amenable to standard numerical optimization techniques. To enable the experimental demonstration of this spectral control scheme, we investigate the Stark tuning properties of the silicon vacancy in silicon carbide, a color center with promise for optical quantum information processing technologies. We find that the silicon vacancy possesses excellent spectral stability and tuning characteristics, allowing us to probe its fast modulation regime, observe the theoretically-predicted two-photon correlations, and demonstrate spectral engineering. Our results suggest that frequency modulation is a powerful technique for the generation of new light states with unprecedented control over the spectral and temporal properties of single photons.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Chiral population analysis: a real space visualization of X-ray circular dichroism

The microscopic understanding of probing and controlling molecular chirality is of considerable interest. Numerous spectroscopic techniques are capable of monitoring molecular asymmetry and its consequences, ranging from the infrared to the X-ray regime. Resonant X-rays have long been used to investigate local atomic sites within molecules thanks to the localized nature of core electronic transitions. These techniques can be used to determine the extent to which chirality is a local versus a delocalized property. However, how to systematically partition dichroic contributions from the point of view of electronic structure simulations remains an open question. Here, we introduce the concept of chiral population analysis that connects chirality to the atomic orbital picture. In analogy with Mulliken population analysis, which assigns charges to atomic orbitals, chiral populations allow the dichroic response to be distributed among the participating atomic orbitals. This decomposition can be further visualized in real space by representing it in terms of isosurface plots, providing an intuitive way to connect the dichroic response to its origins. Thus chiral population analysis can be particularly useful to assess the extent to which a given electronic transition is sensitive to chirality as a local or global feature of the molecular geometry.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Chapter 15: Summary and Outlook

In the various chapters of this book, numerous characterization techniques are presented that can be applied to thin-film solar cells to determine (micro)structural, compositional, electrical, and optoelectronic properties. What has yet to be more fully elucidated is to what extent these characterization techniques can be combined, in a correlative way, to enhance the information gathered on materials and devices. Indeed, it is valuable to consider combining techniques to verify the relevance of the measured materials properties or to obtain them on different length scales-to compare surface with bulk properties, or to correlate structure and composition of materials with electrical and optoelectronic properties.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2022

An investigation of the star-forming main sequence considering the nebular continuum emission at low- z

Galaxy evolution has been studied by interpreting the spectral energy distribution of galaxies using spectral synthesis codes. This method has been crucial in discovering different pillars of modern galaxy evolution theories. However, this analysis was mostly carried out using spectral synthesis codes that are purely stellar, that is, they assume that the nebular contribution to the total continuum is negligible. The code FADO is the first publicly available population spectral synthesis tool that treats the contribution from ionised gas to the observed emission self-consistently. This is expected to have a particularly strong effect in star-forming (SF) galaxies. We study the impact of the nebular contribution on the determination of the star formation rate (SFR), stellar mass, and consequent effect on the star-forming main sequence (SFMS) at low redshift. We applied FADO to the spectral database of the SDSS to derive the physical properties of galaxies. As a comparison, we used the data in the MPA-JHU catalogue, which contains the properties of SDSS galaxies derived without the nebular contribution. We selected a sample of SF galaxies with Hα and Hβ flux measurements, and we corrected the fluxes for the nebular extinction through the Balmer decrement. We then calculated the Hα luminosity to estimate the SFR. Then, by combining the stellar mass and SFR estimates from FADO and MPA-JHU, the SFMS was obtained. The Hα flux estimates are similar between FADO and MPA-JHU. Because the Hα flux was used as tracer of the SFR, FADO and MPA-JHU agree in their SFR. The stellar mass estimates are slightly higher for FADO than for MPA-JHU on average. However, considering the uncertainties, the differences are negligible. With similar SFR and stellar mass estimates, the derived SFMS is also similar between FADO and MPA-JHU. Our results show that for SDSS normal SF galaxies, the additional modelling of the nebular contribution does not affect the retrieved fluxes and consequentially also does not influence SFR estimators based on the extinction-corrected Hα luminosity. For the stellar masses, the results point to the same conclusion. These results are a consequence of the fact that the vast majority of normal SF galaxies in the SDSS have a low nebular contribution. However, the obtained agreement might only hold for local SF galaxies, but higher-redshift galaxies might show different physical properties when FADO is used. This would then be an effect of the expected increased nebular contribution.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Flux-driven algebraic damping of m = 2 diocotron mode

Experiments with pure electron plasmas in a Malmberg–Penning trap have observed linear in time, algebraic damping of m = 2 diocotron modes. Transport due to small field asymmetries produces a low-density halo of electrons moving radially outward from the plasma core, and the mode damping begins when the halo reaches the resonant radius of the mode. The damping rate is proportional to the flux of halo particles through the resonant layer. The damping is related to, but distinct from spatial Landau damping in which a linear wave–particle resonance produces exponential damping. This paper reports an analytic theory that captures the main signatures reported for this novel damping, namely, that the damping begins when the halo particles reach the resonant radius and that the damping is algebraic in time with nearly constant damping rate. The model also predicts a nonlinear frequency shift. The model provides two ways to think about the damping. It results from a transfer of canonical angular momentum from the mode to halo particles being swept by the mode field through the nonlinear cat's eye orbits of the resonant region. More mechanistically, the electric field produced by the perturbed charge density of the resonant particles acts back on the plasma core causing E × B drift that gives rise to the damping and nonlinear frequency shift.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Nuclear–electronic orbital approach to quantization of protons in periodic electronic structure calculations

The nuclear–electronic orbital (NEO) method is a well-established approach for treating nuclei quantum mechanically in molecular systems beyond the usual Born–Oppenheimer approximation. In this work, we present a strategy to implement the NEO method for periodic electronic structure calculations, particularly focused on multicomponent density functional theory (DFT). The NEO-DFT method is implemented in an all-electron electronic structure code, FHI-aims, using a combination of analytical and numerical integration techniques as well as a resolution of the identity scheme to enhance computational efficiency. After validating this implementation, proof-of-concept applications are presented to illustrate the effects of quantized protons on the physical properties of extended systems, such as two-dimensional materials and liquid–semiconductor interfaces. Specifically, periodic NEO-DFT calculations are performed for a trans-polyacetylene chain, a hydrogen boride sheet, and a titanium oxide–water interface. The zero-point energy effects of the protons as well as electron–proton correlation are shown to noticeably impact the density of states and band structures for these systems. These developments provide a foundation for the application of multicomponent DFT to a wide range of other extended condensed matter systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗