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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 1,657 records · Page 92
All sourcesNASA NTRSDOE OSTI
NASA NTRS1996

Effect of Surface Waviness on Transition in Three-Dimensional Boundary-Layer Flow

The effect of a surface wave on transition in three-dimensional boundary-layer flow over an infinite swept wing was studied. The mean flow computed using interacting boundary-layer theory, and transition was predicted using linear stability theory coupled with the empirical eN method. It was found that decreasing the wave height, sweep angle, or freestream unit Reynolds number, and increasing the freestream Mach number or suction level all stabilized the flow and moved transition onset to downstream locations.

Masad, Jamal A.↗
DOE OSTI2014

Solar radius determination from SODISM/PICARD and HMI/SDO observations of the decrease of the spectral solar radiance during the 2012 June Venus transit

On 2012 June 5-6, the transit of Venus provided a rare opportunity to determine the radius of the Sun using solar imagers observing a well-defined object, namely, the planet and its atmosphere, partially occulting the Sun. A new method has been developed to estimate the solar radius during a planetary transit. It is based on the estimation of the spectral solar radiance decrease in a region around the contact between the planet and the Sun at the beginning of the ingress and at the end of the egress. The extrapolation to zero of the radiance decrease versus the Sun-to-Venus apparent angular distance allows estimation of the solar radius at the time of first and fourth contacts. This method presents the advantage of being almost independent on the plate scale, the distortion, the refraction by the planetary atmosphere, and on the point-spread function of the imager. It has been applied to two space solar visible imagers, SODISM/PICARD and HMI/SDO. The found results are mutually consistent, despite their different error budgets: 959.''85 ± 0.''19 (1σ) for SODISM at 607.1 nm and 959.''90 ± 0.''06 (1σ) for HMI at 617.3 nm.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Development of algorithms for augmenting and replacing conventional process control using reinforcement learning

Here, this work seeks to allow for the online operation and training of model-free reinforcement learning (RL) agents but limit the risk to system equipment and personnel. The parallel implementation of RL alongside more conventional process control (CPC) allows for the RL algorithm to learn from CPC. The past performance of both methods are assessed on a continuous basis allowing for a transition from CPC to RL and, if needed, transitioning back to CPC from RL. This allows for the RL algorithm to slowly and safely assume control of the process without significant degradation in control performance. It is shown that the RL can derive a near optimal policy even when coupled with a suboptimal CPC. It is also demonstrated that the coupled RL-CPC algorithm learns at a faster rate than traditional RL methods of exploration while the algorithm’s performance does not deteriorate below CPC, even when exposed to an unknown operating condition.

30 DIRECT ENERGY CONVERSION↗
NASA NTRS1992

A continuum method for modeling surface tension

In the novel method presented for modeling the effects of surface tension on fluid motion, the interfaces between fluids with different, color-represented properties are finite-thickness transition regions across which the color varies continuously. A force density proportional to the surface curvature of constant color is defined at each point in the transition region; this force-density is normalized in such a way that the conventional description of surface tension on an interface is recovered when the ratio of local transition-reion thickness to local curvature radius approaches zero. The properties of the method are illustrated by computational results for 2D flows.

Brackbill, J. U.↗
DOE OSTI2019

Automated Multiscale Approach To Predict Self-Diffusion from a Potential Energy Field

For large-scale screening studies there is a need to estimate the diffusion of gas molecules in nanoporous materials more efficiently than (brute force) molecular dynamics. In particular for systems with low diffusion coefficients molecular dynamics can be prohibitively expensive. An alternative is to compute the hopping rates between adsorption sites using transition state theory. For large-scale screening this requires the automatic detection of the transition states between the adsorption sites along the different diffusion paths. Here an algorithm is presented that analyzes energy grids for the moving particles. It detects the energies at which diffusion paths are formed, together with their directions. This allows for easy identification of nondiffusive systems. For diffusive systems, it partitions the grid coordinates assigned to energy basins and transitions states, permitting a transition state theory based analysis of the diffusion. We test our method on CH 4 diffusion in zeolites, using a standard kinetic Monte Carlo simulation based on the output of our grid analysis. We find that it is accurate, fast, and rigorous without limitations to the geometries of the diffusion tunnels or transition states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Computationally Guided Discovery of a Catalytic Cobalt-Decorated Metal–Organic Framework for Ethylene Dimerization

The catalytic performance of a cobalt(II) single-site catalyst supported on the zirconia-like nodes of the metal organic–framework (MOF) NU-1000 is herein characterized by quantum chemical methods and compared to an iso-structural analogue incorporating nickel(II) as the active transition metal. The mechanisms of atomic layer deposition in MOFs and of catalysis are examined using density functional theory. We compare the catalytic activity of Co and Ni installed on the zirconia-like nodes for ethylene dimerization, considering three plausible pathways. We employ multiconfigurational wave function theory methods to further characterize the electronic structures of key transition states and intermediates. Finally, we report confirmation of Co catalytic activity for ethylene dimerization from experiments that were prompted by the computational prediction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Magnetic phase transition in coupled spin-lattice systems: A replica-exchange Wang-Landau study

Coupled, dynamical spin-lattice models provide a unique test ground for simulations investigating the finite-temperature magnetic properties of materials under the direct influence of the lattice vibrations. These models are constructed by combining a coordinate-dependent interatomic potential with a Heisenberg-like spin Hamiltonian, facilitating the treatment of both the atomic coordinates and the spins as explicit phase variables. Using a model parameterized for bcc iron, we study the magnetic phase transition in these complex systems via the recently introduced, massively parallel replica-exchange Wang-Landau Monte Carlo method. Comparison with the results obtained from rigid lattice (spin-only) simulations shows that the transition temperature as well as the amplitude of the peak in the specific heat curve is marginally affected by the lattice vibrations. Moreover, we report the results were found to be sensitive to the particular choice of interatomic potential.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Measurements of emittance at low energy

Ideally, experimental measurements of all beam parameters should be made at the exit of the injector. This has not been possible on DARHT Axis-II for various practical reasons. In particular, the emittance has not been measured there. This note reviews the methods we have used for emittance measurements on the linear induction accelerator (LIA) at low-energy (< 10 MeV). It includes a discussion of some of the issues associated with making those measurements on a beam from the injector. A successful plan for emittance measurements at any energy should incorporate measures to deal with these issues. To begin with, it should be recognized that emittance measurements at the injector are not critical for beam physics in the accelerator. The emittance at the injector has very little effect on accelerator beam dynamics except for an increase in size near the end, where the beam becomes emittance dominated. Therefore, imperfect knowledge has little effect on the design and implementation of a tune. This point is illustrated in Fig. 1, which shows beam envelope calculations for our present tune over a wide range of emittances. Compare this with using the wrong diode voltage in the tune design. Figure 2 shows the effect on the beam envelope of a 2% error in the measurement of diode voltage. Therefore, a few years ago, when we made plans for beam measurements at the diode while we were upgrading the injector cells, our highest priority was on magnetic spectrometer measurements of energy. These measurements were to be used to cross calibrate the diode-voltage monitor, so that accurate diode voltage measurements could be made on every shot after the spectrometer was removed. If emittance measurements at the injector are required, then three widely used methods should be considered. These are focusing magnet scans, the use of an emittance mask (pepper pot), and optical transition radiation (OTR). We have used all three of these on our accelerators. These are invasive methods. There are noninvasive methods that we have not yet used. For example, under some conditions the beam size obtained with diamagnetic loops can be used in conjunction with the envelope equation to infer emittance. To date our diamagnetic loop data has not been of sufficient quality to do this. Another technique is to measure the beam-distribution quadrupole moment with BPMs dispersed in a quadrupole magnet lattice. Our BPMs have this capability, but the only quad lattice is in the downstream transport (DST), so this method is deferred until we operate the DST. All three methods reviewed here are invasive, and require the insertion of a target into the beam. Therefore, there is always the accompanying risk of inadvertent destruction of the target, and scattering of target material throughout the accelerator or injector. The target damage mechanism is target heating to a temperature hot enough to evolve gas, which is impact ionized by the beam, which is then ion focused to a small enough spot for the energy density to damage the target material, often destructively. Target heating is directly proportional to beam current density and pulse length. Therefore, the key to minimizing risk of target damage is to design for a large beam at the target, low current from the diode, and the shortest possible current pulse. The large-beam requirement compromises emittance measurements with OTR or focal scans, but not with the pepper pot technique. Finally, to ensure a short pulse even if the crowbar fails, the Marx generator should be reconfigured to produce the shortest possible pulse.

43 PARTICLE ACCELERATORS↗
NASA NTRS1986

Global Timing With Low- and High-Orbiting Satellites

Report summarizes method for synchronizing clocks at intercontinental distances employing satellites of Global Positioning System (GPS) in high Earth orbit and transit satellite in orbit at relatively low altitude of about 1,300 km. When fully implemented, method expected to supply precise time measurements for world-wide communication and navigation.

Wu, S. C.↗
DOE OSTI2014

Behavior of the magnetocaloric effect and critical exponents in La{sub 0.67}Sr{sub 0.33}Mn{sub 1−x}V{sub x}O{sub 3} manganite oxide

We have investigated the magnetocaloric effect along with magnetic phase transition and critical exponent analysis in mixed manganite La{sub 0.67}Sr{sub 0.33}Mn{sub 1−x}V{sub x}O{sub 3} (0≤x≤0.15). To determine the nature of the paramagnetic to ferromagnetic phase transition, found to be of second-order, we performed a critical exponents study by dc-magnetization M(H,T) measurements around the Curie temperature T{sub C}. Modified Arrott plot method has been adopted to study the critical behavior of the compounds at their transition region, the values of critical exponents β, γ and δ are close to those expected for three-dimensional Heisenberg class with short-range interaction. A large magnetic entropy change |ΔS{sub M}| deduced from isothermal magnetization curves, has been observed in our samples with a peak centered on their respective T{sub C}. With increase in vanadium content, the temperature corresponding to the maximum entropy change as well as the magnetic transition temperature gradually shifts to low temperatures. The field dependence of the magnetic entropy change is also analyzed, which shows the power law dependence namely, ΔS{sub M}∝H{sup n}. Relative cooling power increases from 205 J/kg for x=0.00 to 258 J/Kg for x=0.15 making these materials a promising candidates for magnetic refrigeration near room temperature. - Graphical abstract: Scaling plot below and above T{sub C} using the β and γ exponents determined from the Arrot plot method of La{sub 0.67}Sr{sub 0.33}Mn{sub 1−x}V{sub x}O{sub 3} for x=0.15. - Highlights: • The paramagnetic to ferromagnetic phase transition of La{sub 0.67}Sr{sub 0.33}Mn{sub 1−x}V{sub x}O{sub 3} (0≤x≤0.15) is found to be of second-order. • The field dependence of the magnetic entropy shows the power law dependence namely, ΔS{sub M}∝H{sup n}. • Moderate values of −ΔS{sub M}{sup max} and RCP make the La{sub 0.67}Sr{sub 0.33}Mn{sub 1−x}V{sub x}O{sub 3} compounds potential candidates for magnetic refrigeration applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Measurement of U 238 ( n , n ' γ ) cross section data and their impact on reaction models

A better knowledge of (n,xn) reaction cross sections is important for both reaction modeling and energy applications. This article focuses on inelastic scattering of neutrons off 238 U for which improvements are needed to better constrain evaluations and solve inconsistencies in nuclear power reactor calculations. A new precise measurement of (n,xnγ) reaction cross sections on 238 U has been performed at the GELINA (Geel Electron LINear Accelerator) neutron facility operated by EC-JRC-Geel (Belgium) with the GRAPhEME (GeRmanium array for Actinides PrEcise MEasurements) setup. The prompt γ-ray spectroscopy method coupled to time-of-flight measurements is used to extract (n,xnγ) cross section values which can be further combined to infer the total neutron inelastic scattering cross section. Cross section data for 18 γ transitions (five never measured before) are presented and compared to the data in the literature. Here, emphasis is especially given to the uncertainty determination to produce partial cross section data as accurate as possible. Due to intrinsic limitations of the experimental method, the use of additional nuclear structure information coupled with theoretical modeling is required to determine the total (n, n') cross section over the whole neutron energy range. We have investigated modeling aspects of the 238 U(n,n'γ) cross sections related to the description of compound nucleus and preequilibirum mechanisms as well as the discrete part of nuclear structure. Through comparison between experimental and calculated (n,n'γ) cross sections, we pinpoint inaccuracies in the description of specific reaction mechanisms and challenge recently implemented models. This helps improving the whole modeling of the (n, n') reaction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

REVISITING SPITZER TRANSIT OBSERVATIONS WITH INDEPENDENT COMPONENT ANALYSIS: NEW RESULTS FOR THE GJ 436 SYSTEM

We analyzed four Spitzer/IRAC observations at 3.6 and 4.5 μm of the primary transit of the exoplanet GJ 436b, by using blind source separation techniques. These observations are important for investigating the atmospheric composition of the planet GJ 436b. Previous analyses claimed strong inter-epoch variations of the transit parameters due to stellar variability, casting doubts on the possibility of conclusively extracting an atmospheric signal. Those analyses also reported discrepant results, hence the necessity of this reanalysis. The method we used has been proposed in Morello et al. to analyze 3.6 μm transit light curves of the hot Jupiter HD 189733b. It performes an Independent Component Analysis on a set of pixel light curves, i.e., time series read by individual pixels, from the same photometric observation. Our method only assumes the independence of instrumental and astrophysical signals, and therefore guarantees a higher degree of objectivity compared to parametric detrending techniques published in the literature. The data sets we analyzed in this paper represent a more challenging test than the previous ones. Contrary to previous results reported in the literature, our results (1) do not support any detectable inter-epoch variations of orbital and stellar parameters, (2) are photometrically stable at the level ∼10{sup −4} in the IR, and (3) the transit depth measurements at the two wavelengths are consistent within 1σ. We also (4) detect a possible transit duration variation of ∼80 s (2σ significance level) that has not been pointed out in the literature, and (5) confirm no transit timing variations ≳30 s.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Precision measurement of the forbidden 2{sup 1}S{sub 0} – 2{sup 3}S{sub 1} transition frequency in a helium atom

We demonstrate the possibility of measuring the forbidden 2{sup 1}S{sub 0} – 2{sup 3}S{sub 1} transition frequency (λ = 1557 nm) of a helium atom by the method of stimulated Raman scattering through the intermediate 2{sup 3}P{sub 1} level. Singlet (2{sup 1}S{sub 0}) and triplet (2{sup 3}S{sub 1}) states have long lifetimes of 20 ms and 8000 s, respectively. The transition is important for the spectroscopy of the helium atom because it relates the singlet and triplet parts of the spectrum. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1939

Comparison of Profile-drag and Boundary-layer Measurements Obtained in Flight and in the Full-scale Wind Tunnel

The effect of the existing turbulence in the full scale tunnel was determined from measurements of the profile drag of an N-22 section by the momentum method under corresponding conditions in flight and the tunnel. The transition-point location on the upper surface of the air-foil was also determined from velocity surveys in the boundary layer. The measurements were made at section lift coefficients from 0.480 to 0.635 with a range of Reynolds Numbers from 4,600,000 to 3,900,000. The results show that the end of transition occurs at approximately the same point on the airfoil in flight and in the tunnel. The transition region was somewhat broader in the tunnel and started farther forward than in flight. The laminar profiles in the tunnel had some characteristics of transition profiles in the tunnel and had a much steeper slope near the surface than did the laminar profiles obtained in flight. These differences, however, caused an increase of only 0.0001 in the profile-drag coefficients, as determined by the momentum method.

Goett, Harry J↗
DOE OSTI2017

Combinatorial appraisal of transition states for in situ pair distribution function analysis

In situ total scattering measurements are increasingly utilized to follow atomic and nanoscale structural details of phase transitions and other transient processes in materials. This contribution presents an automated method and associated tool set to analyze series of diffraction and pair distribution function data with a linear combination of end-member states. It is demonstrated that the combinatorial appraisal of transition states (CATS) software tracks phase changes, relative phase fractions and length scales of interest in experimental data series. Here it is further demonstrated, using a series of local structure data simulations, that the misfit of such a model can reveal details of phase aggregation and growth related to the pair distribution function's sensitivity to interphase correlations. CATS may be applied to quantitative evaluation of many transient processes, including amorphous-to-crystalline phase transitions, the evolution of solid-solution behaviors, the precipitation and growth of aggregates, and other atomic to nanoscale details of crystallization and phase transformation phenomena.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Enhanced Sampling of Crystal Nucleation with Graph Representation Learnt Variables

In this study, we present a graph neural network-based learning approach using an autoencoder setup to derive low-dimensional variables from features observed in experimental crystal structures. These variables are then biased in enhanced sampling to observe state-to-state transitions and reliable thermodynamic weights. Our approach uses simple convolution and pooling methods. To verify the effectiveness of our protocol, we examined the nucleation of various allotropes and polymorphs of iron and glycine from their molten states. Our graph latent variables when biased in well-tempered metadynamics consistently show transitions between states and achieve accurate free energy calculations in agreement with experiments, both of which are indicators of dependable sampling. This underscores the strength and promise of our graph neural net variables for improved sampling. Furthermore, the protocol shown here should be applicable for other systems and with other sampling methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Phase transition and enhanced magneto-dielectric response in BiFeO{sub 3}-DyMnO{sub 3} multiferroics

We report systematic studies on crystal structure and magneto-dielectric properties of (1 − x) BiFeO{sub 3}-x DyMnO{sub 3} (0.0 ≤ x ≤ 0.2) nanoceramics synthesized by auto-combustion method. Rietveld refinement of X-ray diffraction data indicates a structural transition from R3c to R3c + Pn2{sub 1}a at x = 0.1. Field emission scanning electron micrographs display a decrease in grain size with increase in x. The presence of dielectric anomalies around antiferromagnetic transition temperature implies the magnetoelectric coupling. Dielectric measurements showed decrease in magnetic ordering temperature with increasing x in agreement with differential scanning calorimetry results. A significant increase in magnetization has been found with increasing DyMnO{sub 3} substitution. Magneto-impedance spectroscopy reveals a significant change (∼18%) in dielectric permittivity at H = 2 T for x = 0.2.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Few layer graphene synthesis on transition metal ferrite catalysts

Development of cheap, green and up scalable production methods for graphene is one of the most challenging problems in its manufacture on an industrial scale. We report here a large scale substrate-free fluidized bed catalytic chemical vapour deposition (FB-CCVD) process for few layer graphene (FLG) powder production that uses a crystalline oxide catalyst of the general formula A(x)B(3-x)O(4), wherein the FLG layer thickness and domain sizes can be varied. A and B can be chosen from a list of transition elements including Co, Fe, Ni, Mn, Cu and Zn. The best results in terms of activity and selectivity are obtained for the CoxFe3-xO4 system. We also investigated the reaction mechanism using in situ EXAFS and Raman spectroscopy, and electron tomography. Since FB-CCVD processes are already used for industrial scale production of carbon nanotubes, this process should enable the large scale production of free standing FLG in the near future.

Bacsa, Revathi R.↗