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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 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

Design and Operation of an Electrochemical Methanol Concentration Sensor for Direct Methanol Fuel Cell Systems

The development of a 150-Watt packaged power source based on liquid feed direct methanol fuel cells is being pursued currently at the Jet propulsion Laboratory for defense applications. In our studies we find that the concentration of methanol in the fuel circulation loop affects the electrical performance and efficiency the direct methanol fuel cell systems significantly. The practical operation of direct methanol fuel cell systems, therefore, requires accurate monitoring and control of methanol concentration. The present paper reports on the principle and demonstration of an in-house developed electrochemical sensor suitable for direct methanol fuel cell systems.

Narayanan, S. R.↗
DOE OSTI2019

Three-dimensional character of the deformation twin in magnesium

Deformation twins are three-dimensional domains, traditionally viewed as ellipsoids because of their two-dimensional lenticular sections. In this work, we performed statistical analysis of twin shapes viewing along three orthogonal directions: the ‘dark side’ (DS) view along the twin shear direction (η 1 ), the twinning plane normal (TPN) view (k 1 ) and the ‘bright side’ (BS) view along the direction λ(=k 1 × η 1 ). Our electron back-scatter diffraction results show that twins in the DS and BS views normally exhibit a lenticular shape, whereas they show an irregular shape in the TPN view. Moreover, the findings in the TPN view revealed that twins grow faster along λ the lateral direction than along η 1 the forward propagation direction at the initial stages of twin growth. These twin sections are irregular, indicating that growth is locally controlled and the overall shape is not perfectly ellipsoidal. We explain these findings using atomistic models, and ascribe them to differences in the mobility of the edge and screw components of the twinning dislocations.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Theory of gradient drift instabilities in low-temperature, partially magnetised plasmas

A fluid dispersion theory in partially magnetised plasmas is analysed to examine the conditions under which large-wavelength modes develop in Penning-type configurations, that is, where an electric field is imposed perpendicular to a homogeneous magnetic field. The fluid dispersion relation assuming a slab geometry shows that two types of low-frequency, gradient drift instabilities occur in the direction of the E×B and diamagnetic drifts. One type of instability, observed when the equilibrium electric field and plasma density gradient are in the same direction, is similar to the classic modified Simon–Hoh instability. A second instability is found for conditions in which (i) the diamagnetic drift is in the direction opposite to the E×B drift and (ii) the magnitude of the diamagnetic drift is sufficiently larger than the electron thermal speed. The present fluid dispersion theory suggests that the rotating spokes driven by such fluid instabilities propagate in the same direction as the diamagnetic drift, which can be in the same direction as or opposite to the E×B drift, depending on the plasma conditions. This finding may account for the observation, in some plasma devices, of the rotation of large-scale structures in both the E×B and -E×B directions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Scheduling and Pricing for Expected Ramp Capability in Real-Time Power Markets

Higher variable renewable generation penetrations are occurring throughout the world on different power systems. These resources increase the variability and uncertainty on the system which must be accommodated by an increase in the flexibility of the system resources in order to maintain reliability. Many scheduling strategies have been discussed and introduced to ensure that this flexibility is available at multiple timescales. To meet variability, that is, the expected changes in system conditions, two recent strategies have been introduced: time-coupled multi-period market clearing models and the incorporation of ramp capability constraints. To appropriately evaluate these methods, it is important to assess both efficiency and reliability. But it is also important to assess the incentive structure to ensure that resources asked to perform in different ways have the proper incentives to follow these directions, which is a step often ignored in simulation studies. Here we find that there are advantages and disadvantages to both approaches. We also find that look-ahead horizon length in multi-period market models can impact incentives. This paper proposes scheduling and pricing methods that ensure expected ramps are met reliably, efficiently, and with associated prices based on true marginal costs that incentivize resources to do as directed by the market. Case studies show improvements of the new method.

25 ENERGY STORAGE↗
DOE OSTI2022

Multiple Roles of Alkanethiolate‐Ligands in Direct Formation of H 2 O 2 over Pd Nanoparticles

Abstract Coadsorbed organic species including thiolates can promote direct synthesis of hydrogen peroxide from H 2 and O 2 over Pd particles. Here, density functional theory based kinetic modeling, augmented with activity measurements and vibrational spectroscopy are used to provide atomistic understanding of direct H 2 O 2 formation over alkylthiolate(RS) Pd. We find that the RS species are oxidized during reaction conditions yielding RSO 2 as the effective ligand. The RSO 2 ligand shows superior ability for proton transfer to the intermediate surface species OOH, which accelerates the formation of H 2 O 2 . The ligands promote the selectivity also by blocking sites for unselective water formation and by modifying the electronic structure of Pd. The work rationalizes observations of enhanced selectivity of direct H 2 O 2 formation over ligand‐funtionalized Pd nanoparticles and shows that engineering of organic surface modifiers can be used to promote desired hydrogen transfer routes.

Chen, Lin↗
DOE OSTI2022

Multiple Roles of Alkanethiolate‐Ligands in Direct Formation of H 2 O 2 over Pd Nanoparticles

Abstract Coadsorbed organic species including thiolates can promote direct synthesis of hydrogen peroxide from H 2 and O 2 over Pd particles. Here, density functional theory based kinetic modeling, augmented with activity measurements and vibrational spectroscopy are used to provide atomistic understanding of direct H 2 O 2 formation over alkylthiolate(RS) Pd. We find that the RS species are oxidized during reaction conditions yielding RSO 2 as the effective ligand. The RSO 2 ligand shows superior ability for proton transfer to the intermediate surface species OOH, which accelerates the formation of H 2 O 2 . The ligands promote the selectivity also by blocking sites for unselective water formation and by modifying the electronic structure of Pd. The work rationalizes observations of enhanced selectivity of direct H 2 O 2 formation over ligand‐funtionalized Pd nanoparticles and shows that engineering of organic surface modifiers can be used to promote desired hydrogen transfer routes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

Silent and Efficient Supersonic Bi-Directional Flying Wing

The supersonic bi-directional (SBiDir) flying wing (FW) concept has a great potential to achieve low sonic boom with high supersonic aerodynamic performance due to removal of performance conflict between high speed and low speed by rotating goo in flight. This NIAC Phase 1 research has achieved three objectives: 2) prove the concept based on simulation that it can achieve very low boom with smooth Sine wave ground over-pressure signature and excellent aerodynamic efficiency; 3) conduct trade study to correlate the geometric parameters with sonic boom and aerodynamic performance for further automated design optimization in Phase II. The design methodology developed in Phase I includes three parts: 1) an advanced geometry model, which can vary airfoil meanline angle distribution to control the expansion and shock waves on the airplane surface to mitigate sonic boom and improve aerodynamic efficiency. 2) a validated CFD procedure to resolve near field flow with accurate shock strength. The sonic boom propagation from near field to far field ground is simulated by NASA NF Boom code. The surface friction drag prediction is based on fiat plate correlation adopted by Seebass and supported by the experimental study of Winter and Smith, which is on the conservative side and is more reliable than CFD RANS simulation. 3) a mission analysis tool based on Corke's model that provides design requirements and constraints of supersonic airplanes for range, payload, volume, size, weight, etc. The design mission target is a supersonic transport with cruise Mach number 1.6, 100 passengers, and 4000nm range. The trade study has several very important findings: 1) The far field ground sonic boom signature is directly related to the smoothness of the flow on the airplane surface. The meanline angle distribution is a very effective control methodology to mitigate surface shock and expansion wave strength, and mitigating compression wave coalescing by achieving smooth loading distribution chord-wise. Compared with a linear meanline angle distribution, a design using nonlinear and non-monotonic meanline angle distribution is able to reduce the sonic boom ground loudness by over 20dBP1. The design achieves sonic boom ground loudness less than 70dBP1 and aerodynamic dynamic efficiency 1/D of 8.4. 2) Decreasing sweep angle within the Mach cone will increase 1/D as well as sonic boom. A design with variable sweep from 84° at the very leading edge to 68° at the tip achieves an extraordinarily high 1/D of 10.4 at Mach number 1.6 due to the low wave drag. If no sonic boom constraint is attached, SBiDir-FW concept still has a lot of room to increase the 1/D. 3) The round leading edge and trailing edge under high sweep angle are beneficial to improve aerodynamic performance, sonic boom, and to increase volume of the airplane. 4) Subsonic performance is benefited greatly from the high slenderness of supersonic configuration after rotating goo. A design with excellent supersonic aspect ratio of 0.44, 1/D of 8.g, gives an extraordinary subsonic aspect ration of 10 and 1/D of 1g.7. Two configurations are designed in details to install internal seats, landing gears, and engine installation to demonstrate the feasibility of SBiDir-FW configuration to accommodate all the required volume for realistic airplane. Here we emphasize that the qualitative findings in Phase I are very encouraging, more important than the quantitative results. Qualitative findings give the understanding of physics and provide the path to achieve the ultimate high performance design. The promising quantitative results achieved in Phase I need to be confirmed by wind tunnel testing in Phase II and ultimately proved by flight test. The other important step forward will be made to study the rotation transition from both CFD unsteady simulation and wind tunnel testing.

Zha, Gecheng↗
DOE OSTI2021

Microemulsions in the driven Widom-Rowlinson lattice gas

An investigation of the two-dimensional Widom-Rowlinson lattice gas under an applied drive uncovered a remarkable nonequilibrium steady state in which uniform stripes (reminiscent of an equilibrium lamellar phase) form perpendicular to the drive direction [R. Dickman and R. K. P. Zia, Phys. Rev. E 97, 062126 (2018)]. Here we study this model at low particle densities in two and three dimensions, where we find a disordered phase with a characteristic length scale (a “microemulsion”) along the drive direction. Further we develop a continuum theory of this disordered phase to derive a coarse-grained field-theoretic action for the nonequilibrium dynamics. The action has the form of two coupled driven diffusive systems with different characteristic velocities, generated by an interplay between the particle repulsion and the drive. We then show how fluctuation corrections in the field theory may generate the characteristic features of the microemulsion phase, including a peak in the static structure factor corresponding to the characteristic length scale. This work lays the foundation for understanding the stripe phenomenon more generally.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Grain growth competition during thin-sample directional solidification of dendritic microstructures: A phase-field study

Here we present the results of a comprehensive phase-field study of columnar grain growth competition in bi-crystalline samples in two dimensions (2D) and in three dimensions (3D) for small sample thicknesses allowing a single row of dendrites to form. We focus on the selection of grain boundary (GB) orientation during directional solidification in the steady-state dendritic regime, and study its dependence upon the orientation of two competing grains. In 2D, we map the entire orientation range for both grains, performing several simulations for each configuration to account for the stochasticity of GB orientation selection and to assess the average GB behavior. We find that GB orientation selection depends strongly on whether the primary dendrite growth directions have lateral components (i.e. components perpendicular to the axis of the temperature gradient) that point in the same or opposite directions in the two grains. Here, we identify a range of grain orientations in which grain selection follows the classical description of Walton and Chalmers. We also identify conditions that favor unusual overgrowth of favorably-oriented dendrites at a converging GB. We propose a simple analytical description that reproduces the average GB orientation selection from 2D simulations within statistical fluctuations of a few degrees. In 3D, we find a similar GB orientation selection as in 2D when secondary branches grow in planes parallel and perpendicular to the sample walls. Remarkably, quasi-2D behavior is also observed even when those perpendicular sidebranching planes are rotated by a finite azimuthal angle about the primary dendrite growth axis as long as the absolute values of those azimuthal angles are equal in both grains. In contrast, when the absolute values of those azimuthal angles differ markedly, we find that unusual overgrowth events at a converging GB are promoted by a high azimuthal angle in the least-favorably-oriented grain. We also find that diverging GBs can be strongly affected by those azimuthal angles, while converging GBs exhibit a weak dependence on those angles. Finally, for diverging GBs, GB orientation is also strongly affected by the relative signs of the lateral components of the primary dendrite growth directions in both grains.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Dynamic density functional theory with hydrodynamic interactions and fluctuations

We derive a closed equation for the empirical concentration of colloidal particles in the presence of both hydrodynamic and direct interactions. The ensemble average of our functional Langevin equation reproduces known deterministic Dynamic Density Functional Theory (DDFT) [M. Rex and H. Löwen, “Dynamical density functional theory with hydrodynamic interactions and colloids in unstable traps,” Phys. Rev. Lett. 101(14), 148302 (2008)], and, at the same time, it also describes the microscopic fluctuations around the mean behavior. We suggest separating the ideal (non-interacting) contribution from additional corrections due to pairwise interactions. We find that, for an incompressible fluid and in the absence of direct interactions, the mean concentration follows Fick's law just as for uncorrelated walkers. At the same time, the nature of the stochastic terms in fluctuating DDFT is shown to be distinctly different for hydrodynamically-correlated and uncorrelated walkers. This leads to striking differences in the behavior of the fluctuations around Fick's law, even in the absence of pairwise interactions. We connect our own prior work [A. Donev, T. G. Fai, and E. Vanden-Eijnden, “A reversible mesoscopic model of diffusion in liquids: from giant fluctuations to Fick's law,” J. Stat. Mech.: Theory Exp. (2014) P04004] on fluctuating hydrodynamics of diffusion in liquids to the DDFT literature, and demonstrate that the fluid cannot easily be eliminated from consideration if one wants to describe the collective diffusion in colloidal suspensions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Aerosols in Central California: Unexpectedly Large Contribution of Coarse Mode to Aerosol Radiative Forcing

The majority of previous studies dealing with effect of coarse-mode aerosols on the radiation budget have focused primary on polluted regions with substantial aerosol loadings. We reexamine this effect for a relatively "pristine" area using a unique 1-month dataset collected during recent Carbonaceous Aerosol and Radiative Effects Study (CARES). We demonstrate that the coarse-mode (supermicron) particles can contribute substantially (more than 50%) and frequently (up to 85% of time) to the total volume. In contrast to the conventional expectations that the radiative impact of coarse-mode aerosols should be small for "pristine" regions, we find that the neglecting of the large particles may lead to significant overestimation (up to 45%) of direct aerosol radiative forcing at the top-of atmosphere despite of very small aerosol optical depth (about 0.05 at 0.5 ). Our findings highlight the potential for widespread impacts of the coarse-mode aerosols on the pristine radiative properties over land and the need for more explicit inclusion of the coarse-mode aerosols in climate-related observational and model studies.

aerosols↗
DOE OSTI2021

Learning to Unknot

We introduce natural language processing into the study of knot theory, as made natural by the braid word representation of knots. We study the UNKNOT problem of determining whether or not a given knot is the unknot. After describing an algorithm to randomly generate N-crossing braids and their knot closures and discussing the induced prior on the distribution of knots, we apply binary classification to the UNKNOT decision problem. We find that the Reformer and shared-QK Transformer network architectures outperform fully-connected networks, though all perform at 95% accuracy. Perhaps surprisingly, we find that accuracy increases with the length of the braid word, and that the networks learn a direct correlation between the confidence of their predictions and the degree of the Jones polynomial. Finally, we utilize reinforcement learning (RL) to find sequences of Markov moves and braid relations that simplify knots and can identify unknots by explicitly giving the sequence of unknotting actions. Trust region policy optimization (TRPO) performs consistently well, reducing 80% of the unknots with up to 96 crossings we tested to the empty braid word, and thoroughly outperformed other RL algorithms and random walkers. Studying these actions, we find that braid relations are more useful in simplifying to the unknot than one of the Markov moves.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2011

Directions for Development of the Field of Electroactive Polymer (EAP)

In last few years, the rate of development and advances in the field of EAP has accelerated significantly and it is increasingly getting closer to the point of finding them used in commercial products. Substantial development has been reported in the understanding of their drive mechanisms and the parameters that control their electro-activation behavior. Further, efforts are being made to develop mass production techniques with greatly improved actuation capability and operation durability. The recent efforts to develop energy harvesting techniques, haptic interfacing (including refreshable braille displays), and toys are further increasing the likelihood of finding niches for these materials. In this paper, the author sought to examine the potential directions for the future development of the field of EAP in relation to the state-of-the-art.

actuators↗
NASA NTRS2025

A Comparison of Bank Control and Direct Force Control for Aerocapture at Uranus

We compare bank angle control and direct force control for aerocapture at Uranus. We utilize the Fully Numerical Predictor-corrector Aerocapture Guidance for both configurations and discuss modifications to the direct force control corrector to handle multiple roots. Using the Genesis flight mechanics simulation, we analyze both nominal and dispersed three-degree-of-freedom trajectories with perfect navigation and control. We present Monte Carlo results and discuss differences between the performance of the two control approaches. We find that increased bank angle rate and acceleration limits do not increase the performance of the bank control configuration. We analyze a variation with tighter angle of attack bounds and find that the tuning and performance of the two configurations converges, because direct force control is less able to modulate drag.

Sergio A Sandoval↗
DOE OSTI2015

Shapiro steps for skyrmion motion on a washboard potential with longitudinal and transverse ac drives

In this work, we numerically study the behavior of two-dimensional skyrmions in the presence of a quasi-one-dimensional sinusoidal substrate under the influence of externally applied dc and ac drives. In the overdamped limit, when both dc and ac drives are aligned in the longitudinal direction parallel to the direction of the substrate modulation, the velocity-force curves exhibit classic Shapiro step features when the frequency of the ac drive matches the washboard frequency that is dynamically generated by the motion of the skyrmions over the substrate, similar to previous observations in superconducting vortex systems. In the case of skyrmions, the additional contribution to the skyrmion motion from a nondissipative Magnus force shifts the location of the locking steps to higher dc drives, and we find that the skyrmions move at an angle with respect to the direction of the dc drive. For a longitudinal dc drive and a perpendicular or transverse ac drive, the overdamped system exhibits no Shapiro steps; however, when a finite Magnus force is present, we find pronounced transverse Shapiro steps along with complex two-dimensional periodic orbits of the skyrmions in the phase-locked regimes. Both the longitudinal and transverse ac drives produce locking steps whose widths oscillate with increasing ac drive amplitude. We examine the role of collective skyrmion interactions and find that additional fractional locking steps occur for both longitudinal and transverse ac drives. Finally, at higher skyrmion densities, the system undergoes a series of dynamical order-disorder transitions, with the skyrmions forming a moving solid on the phase locking steps and a fluctuating dynamical liquid in regimes between the steps.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Ti interstitial flows giving rutile TiO 2 reoxidation process enhancement in (001) surface

In this work we revisited ab initio evaluations of the barrier energies along the possible diffusion paths of the defects in rutile TiO 2 by using a diffusion Monte Carlo method. We found that Ti interstitials hopping along the c axis are identified as the major diffusion directing to the (001) surface, contradicting any of the previous density functional theory studies. Our finding reasonably explains recent experiments reporting that the photocatalytic activity in the (001) surface is superior to that in the (110) surface: Here, the faster Ti diffusion directing to the (001) surface leads to the better self-compensation ability and maintains its photocatalytic activity.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Magnetic upflow events in the quiet-sun photosphere. I. Observations

Rapid magnetic upflows in the quiet-Sun photosphere were recently uncovered from both Sunrise/IMaX and Hinode/SOT observations. Here, we study magnetic upflow events (MUEs) from high-quality, high- (spatial, temporal, and spectral) resolution, and full Stokes observations in four photospheric magnetically sensitive Fe i lines centered at 5250.21, 6173.34, 6301.51, and 6302.50 Å acquired with the Swedish Solar Telescope (SST)/CRISP. We detect MUEs by subtracting in-line Stokes V signals from those in the far blue wing whose signal-to-noise ratio (S/N) ⩾7. We find a larger number of MUEs at any given time (2.0×10{sup −2} arcsec{sup −2}), larger by one to two orders of magnitude, than previously reported. The MUEs appear to fall into four classes presenting different shapes of Stokes V profiles with (I) asymmetric double lobes, (II) single lobes, (III) double-humped (two same-polarity lobes), and (IV) three lobes (an extra blueshifted bump in addition to double lobes), of which less than half are single-lobed. We also find that MUEs are almost equally distributed in network and internetwork areas and they appear in the interior or at the edge of granules in both regions. Distributions of physical properties, except for horizontal velocity, of the MUEs (namely, Stokes V signal, size, line-of-sight velocity, and lifetime) are almost identical for the different spectral lines in our data. A bisector analysis of our spectrally resolved observations shows that these events host modest upflows and do not show a direct indication of the presence of supersonic upflows reported earlier. Our findings reveal that the numbers, types (classes), and properties determined for MUEs can strongly depend on the detection techniques used and the properties of the employed data, namely, S/Ns, resolutions, and wavelengths.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2021

Long-term Pulse Period Evolution of the Ultra-luminous X-ray Pulsar NGC 7793 P13

Ultra-luminous X-ray pulsars (ULXPs) provide a unique opportunity to study persistent super-Eddington accretion. Here we present the results of a long-term monitoring campaign of ULXP NGC 7793 P13, focusing on the pulse period evolution and the determination of the orbital ephemeris. Over our four year monitoring campaign with Swift, XMM-Newton, and NuSTAR, we measure a continuous spin-up with an average value of ̇P≈−3.8×10−11s s−1. We find that the strength of the spin-up is independent of the observed X-ray flux, indicating that despite a drop in observed flux in 2019, accretion onto the source has continued at largely similar rates. The source entered an apparent off-state in early 2020, which might have resulted in a change of the accretion geometry as no pulsations were found in observations in July/August 2020.We use the long-term monitoring to update the orbital ephemeris, as well as the periodicities seen in both the observed optical/UV and X-ray fluxes. We find that the optical/UV period is very stable over the years, with PUV=63.75+0.17−0.12d. The best-fit orbital period determined from our X-ray timing results is 64.86±0.19 d, almost a day longer than previously implied, and the X-ray flux period is65.21±0.15 d, slightly shorter than measured previously. The physical origin of these different flux periods is currently unknown. We study the hardness ratio of the XMM-Newton and NuSTAR data between 2013–2020 to search for indications of spectral changes. We find that the hardness ratios at high energies are very stable and not directly correlated with the observed flux. At lower energies we observe a small hardening with increased flux, which might indicate increased obscuration through outflows at higher luminosities. Comparing the changes in flux with the observed pulsed fraction, we find that the pulsed fraction is significantly higher at low fluxes. This seems to imply that the accretion geometry already changed before the source entered the deep off-state. We discuss possible scenarios to explain this behavior, which is likely driven by a precessing accretion disk.

Neutron stars↗