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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 1,477 records · Page 82

Trajectory Optimization via Unsupervised Probabilistic Learning On Manifolds

This report investigates the use of unsupervised probabilistic learning techniques for the analysis of hypersonic trajectories. The algorithm first extracts the intrinsic structure in the data via a diffusion map approach. Using the diffusion coordinates on the graph of training samples, the probabilistic framework augments the original data with samples that are statistically consistent with the original set. The augmented samples are then used to construct conditional statistics that are ultimately assembled in a path-planing algorithm. In this framework the controls are determined stage by stage during the flight to adapt to changing mission objectives in real-time. A 3DOF model was employed to generate optimal hypersonic trajectories that comprise the training datasets. The diffusion map algorithm identfied that data resides on manifolds of much lower dimensionality compared to the high-dimensional state space that describes each trajectory. In addition to the path-planing worflow we also propose an algorithm that utilizes the diffusion map coordinates along the manifold to label and possibly remove outlier samples from the training data. This algorithm can be used to both identify edge cases for further analysis as well as to remove them from the training set to create a more robust set of samples to be used for the path-planing process.

42 ENGINEERING↗

Unsupervised and Supervised Learning over the Energy Landscape for Protein Decoy Selection

The energy landscape that organizes microstates of a molecular system and governs the underlying molecular dynamics exposes the relationship between molecular form/structure, changes to form, and biological activity or function in the cell. However, several challenges stand in the way of leveraging energy landscapes for relating structure and structural dynamics to function. Energy landscapes are high-dimensional, multi-modal, and often overly-rugged. Deep wells or basins in them do not always correspond to stable structural states but are instead the result of inherent inaccuracies in semi-empirical molecular energy functions. Due to these challenges, energetics is typically ignored in computational approaches addressing long-standing central questions in computational biology, such as protein decoy selection. In the latter, the goal is to determine over a possibly large number of computationally-generated three-dimensional structures of a protein those structures that are biologically-active/native. In recent work, we have recast our attention on the protein energy landscape and its role in helping us to advance decoy selection. Here, we summarize some of our successes so far in this direction via unsupervised learning. More importantly, we further advance the argument that the energy landscape holds valuable information to aid and advance the state of protein decoy selection via novel machine learning methodologies that leverage supervised learning. Our focus in this article is on decoy selection for the purpose of a rigorous, quantitative evaluation of how leveraging protein energy landscapes advances an important problem in protein modeling. However, the ideas and concepts presented here are generally useful to make discoveries in studies aiming to relate molecular structure and structural dynamics to function.

59 BASIC BIOLOGICAL SCIENCES↗

The Holometer: A Fermilab Experiment

Do we live in a two-dimensional hologram? A group of Fermilab scientists has designed an experiment to find out. It’s called the Holometer, and this video gives you a behind-the-scenes look at the device that could change the way we see the universe.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Characteristics of concrete reflection of {sup 235}U systems

Water reflection is considered in nuclear criticality safety evaluations because it is readily available and easily forms a close-fitting reflector around fissile material. Concrete is commonly encountered in industrial environments and can be a more effective reflector than water. A comprehensive study using 32 concrete compositions derived from an extensive literature survey was done for the three basic one-dimensional geometries used in radiation transport codes (spherical, infinite length cylindrical, and infinite extent slab) using a {sup 235}U metal/water fissile mixture. The concentration/moderation range over which criticality is possible was spanned, and the change in k{sub eff} per unit change in element atomic number density for various concrete composition elements was computed to determine the relative effect of each element on neutron multiplication. The results show that: -1) the most effective reflector is not the same for each geometry; -2) in general, for each geometry, Δk{sub eff}/ΔN has similar values for {sup 235}U concentrations >0.200 g/cm{sup 3}; and -3) for {sup 235}U concentrations < 0.200 g/cm{sup 3}, the value of Δk{sub eff}/ΔN diminishes toward zero.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Experimental and Computational Heat Transfer Study of sCO2 Single Jet Impingement

The present study experimentally investigates the heat transfer capability of supercritical carbon dioxide (sCO2) single-jet impingement. The evaluated jet Reynolds number range is between 80,000 and 1,000,000, with a non-dimensional jet-to-target surface spacing of 2.8. CO2- impinging jet stagnation conditions were maintained at approximately 20 MPa and a temperature of 673 K for most experiments. The goal is to understand how changes in the aforementioned parameters influence heat transfer between the working fluid and the heated surface. Additionally, due to the elevated Reynolds numbers and difference in thermodynamic properties between air and CO2, air-derived impingement correlations may not be appropriate for CO2 impingement; these correlations will be evaluated against experimental sCO2 impingement data. At the time of this study, no sCO2 impingement data was available relevant to sCO2 power cycles. The target surface is a 1.5-inch diameter copper block centered on the 3mm jet orifice. A mica heating element bolted to the bottom of the copper block provides a uniform heat flux. Thermocouples embedded in the copper block are used to determine the surface temperature. Nusselt numbers obtained from experimental sCO2 data are compared to area-averaged Nusselt numbers from air-derived correlations. The comparisons showed that air correlations drastically underpredict the heat transfer when sCO2 is used as the working fluid. A modified sCO2 correlation using experimental data at discussed conditions is derived based on an existing air correlation.

Richardson, John↗

Angle-resolved diffraction grating biosensor based on porous silicon

In this study, an optical biosensor based on a porous silicon composite structure was fabricated using a simple method. This structure consists of a thin, porous silicon surface diffraction grating and a one-dimensional porous silicon photonic crystal. An angle-resolved diffraction efficiency spectrum was obtained by measuring the diffraction efficiency at a range of incident angles. The angle-resolved diffraction efficiency of the 2nd and 3rd orders was studied experimentally and theoretically. The device was sensitive to the change of refractive index in the presence of a biomolecule indicated by the shift of the diffraction efficiency spectrum. The sensitivity of this sensor was investigated through use of an 8 base pair antifreeze protein DNA hybridization. The shifts of the angle-resolved diffraction efficiency spectrum showed a relationship with the change of the refractive index, and the detection limit of the biosensor reached 41.7 nM. This optical device is highly sensitive, inexpensive, and simple to fabricate. Using shifts in diffraction efficiency spectrum to detect biological molecules has not yet been explored, so this study establishes a foundation for future work.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

On nonlinear evolution of low-frequency Alfvén waves in weakly-expanding solar wind plasmas

A multi-dimensional nonlinear evolution equation for Alfvén waves in weakly-expanding solar wind plasmas is derived by using the reductive perturbation method. The expansion of solar wind plasma parcels is modeled by an expanding box model, which includes the accelerating expansion. It is shown that the resultant equation agrees with the Wentzel-Kramers-Brillouin prediction of the low-frequency Alfvén waves in the linear limit. In the cold and one-dimensional limit, a modified derivative nonlinear Schrodinger equation is obtained. Direct numerical simulations are carried out to discuss the effect of the expansion on the modulational instability of monochromatic Alfvén waves and the propagation of Alfvén solitons. By using the instantaneous frequency, it is quantitatively shown that as far as the expansion rate is much smaller than wave frequencies, effects of the expansion are almost adiabatic. It is also confirmed that while shapes of Alfvén solitons temporally change due to the expansion, some of them can stably propagate after their collision in weakly-expanding plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Spatial Distribution of Ultraviolet Emission from Cometary Activity at 67P/Churyumov-Gerasimenko

The Alice ultraviolet spectrograph on board the Rosetta orbiter provided the first near-nucleus ultraviolet observations of a cometary coma from arrival at comet 67P/Churyumov-Gerasimenko in 2014 August through 2016 September. The characterization of atomic and molecular emissions in the coma revealed the unexpected contribution of dissociative electron impact emission at large heliocentric distances and during some outbursts. This mechanism also proved useful for compositional analysis, and Alice observed many cases that suggested elevated levels of the supervolatile O{sub 2}, identifiable in part to their emissions resulting from dissociative electron impact. In this paper, we present the first two-dimensional UV maps constructed from Alice observations of atomic emission from 67P during an increase in cometary activity on 2015 November 7–8. Comparisons to observations of the background coma and an earlier collimated jet are used to describe possible changes to the near-nucleus coma and plasma. To verify the mapping method and place the Alice observations in context, comparisons to images derived from the MIRO and VIRTIS-H instruments are made. The spectra and maps we present show an increase in dissociative electron impact emission and an O{sub 2}/H{sub 2}O ratio of ~0.3 for the activity; these characteristics have been previously identified with cometary outbursts seen in Alice data. Further, UV maps following the increases in activity show the spatial extent and emission variation experienced by the near-nucleus coma, informing future UV observations of comets that lack the same spatial resolution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Model-independent measurement of the charge density distribution along an Fe atom probe needle using off-axis electron holography without mean inner potential effects

The one-dimensional charge density distribution along an electrically biased Fe atom probe needle is measured using a model-independent approach based on off-axis electron holography in the transmission electron microscope. Both the mean inner potential and the magnetic contribution to the phase shift are subtracted by taking differences between electron-optical phase images recorded with different voltages applied to the needle. The measured one-dimensional charge density distribution along the needle is compared with a similar result obtained using model-based fitting of the phase shift surrounding the needle. On the assumption of cylindrical symmetry, it is then used to infer the three-dimensional electric field and electrostatic potential around the needle with ∼10 nm spatial resolution, without needing to consider either the influence of the perturbed reference wave or the extension of the projected potential outside the field of view of the electron hologram. The present study illustrates how a model-independent approach can be used to measure local variations in charge density in a material using electron holography in the presence of additional contributions to the phase, such as those arising from changes in mean inner potential and specimen thickness.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Vulnerable window of yield strength for swelling-driven fracture of phase-transforming battery materials

Abstract Despite numerous experimental and theoretical investigations of the mechanical behavior of high-capacity Si and Ge Li-ion battery anodes, our basic understanding of swelling-driven fracture in these materials remains limited. Existing theoretical studies have provided insights into elasto-plastic deformations caused by large volume change phase transformations, but have not modeled fracture explicitly beyond Griffith’s criterion. Here, we use a multi-physics phase-field approach to model self-consistently anisotropic phase transformation, elasto-plastic deformation, and crack initiation and propagation during lithiation of Si nanopillars. Our computational results reveal that fracture occurs within a “vulnerable window” inside the two-dimensional parameter space of yield strength and fracture energy and highlight the importance of taking into account the surface localization of plastic deformation to accurately predict the magnitude of tensile stresses at the onset of fracture. They further demonstrate how the increased robustness of hollow nanopillars can be understood as a direct effect of anode geometry on the size of this vulnerable window. Those insights provide an improved theoretical basis for designing next-generation mechanically stable phase-transforming battery materials undergoing large volume changes.

25 ENERGY STORAGE↗

Kinetic study of terahertz generation based on the interaction of two-color ultra-short laser pulses with molecular hydrogen gas

In this work, using a two dimensional particle in cell-Monte Carlo collision simulation scheme, interaction of two-color ultra-short laser pulses with the molecular hydrogen gas (H{sub 2}) is examined. The operational laser parameters, i.e., its pulse shape, duration, and waist, are changed and, their effects on the density and kinetic energy of generated electrons, THz electric field, intensity, and spectrum are studied. It is seen that the best pulse shape generating the THz signal radiation with the highest intensity is a trapezoidal pulse, and the intensity of generated THz radiation is increased at the higher pulse durations and waists. For all the operational laser parameters, the maximum value of emitted THz signal frequency always remains lower than 5 THz. The intensity of applied laser pulses is taken about 10{sup 14} w/cm{sup 2}, and it is observed that while a small portion of the gaseous media gets ionized, the radiated THz signal is significant.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Polymer-loaded propagating modes on a one-dimensional photonic crystal

We numerically and experimentally demonstrate that a polymer film-coated one-dimensional photonic crystal (1DPC) can sustain transverse electric (TE) polarized modes without the limit of guided layer's thickness. Our results indicate that two propagating modes are existing inside the polymer film, the first one is the TE polarized Bloch surface wave, and the second one is the TE polarized guided mode. Here in, the evolution of these two modes with change in the polymer film thickness is presented. Our numerical simulation results are in well-agreement with the experimental data obtained using back focal plane imaging.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Approximate solutions to a nonintegrable problem of propagation of elliptically polarised waves in an isotropic gyrotropic nonlinear medium, and periodic analogues of multisoliton complexes

Using the linearization method, we obtain approximate solutions to a one-dimensional nonintegrable problem of propagation of elliptically polarised light waves in an isotropic gyrotropic medium with local and nonlocal components of the Kerr nonlinearity and group-velocity dispersion. The consistent evolution of two orthogonal circularly polarised components of the field is described analytically in the case when their phases vary linearly during propagation. The conditions are determined for the excitation of waves with a regular and 'chaotic' change in the polarisation state. The character of the corresponding nonlinear solutions, i.e., periodic analogues of multisoliton complexes, is analysed. (nonlinear optical phenomena)

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Optical probe investigation of laser ablated carbon plasma plume in nitrogen ambient

We report the study of carbon plasma produced using 1064 nm laser in nitrogen ambient at atmospheric pressure using 2-dimensional fast imaging of ablated plume, optical emission spectroscopy, and optical probe at 532 nm for interferometry and shadowgraphy. The dominance of C{sub 2} and CN molecules over ionic species at later stages of expanding carbon plasma plume is reported. The observed ring structure in shadowgrams and change in the direction of fringe shift from positive to negative in recorded interferograms are correlated with the relative abundance of different species in the plasma plume as function of time delay with respect to ablating pulse. An agreement in observed onset time of formation of clusters/atomic species or low ionic species using different diagnostic techniques has been reported.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

WHISTLER TURBULENCE FORWARD CASCADE VERSUS INVERSE CASCADE: THREE-DIMENSIONAL PARTICLE-IN-CELL SIMULATIONS

We present the results of the first fully three-dimensional particle-in-cell simulations of decaying whistler turbulence in a magnetized, homogeneous, collisionless plasma in which both forward cascades to shorter wavelengths, and inverse cascades to longer wavelengths are allowed to proceed. For the electron beta β {sub e} = 0.10 initial value considered here, the early-time rate of inverse cascade is very much smaller than the rate of forward cascade, so that at late times the fluctuation energy in the regime of the inverse cascade is much weaker than that in the forward cascade regime. Similarly, the wavevector anisotropy in the inverse cascade regime is much weaker than that in the forward cascade regime.

79 ASTRONOMY AND ASTROPHYSICS↗

Hopping conduction in p-type MoS{sub 2} near the critical regime of the metal-insulator transition

We report on temperature-dependent charge and magneto transport of chemically doped MoS{sub 2}, p-type molybdenum disulfide degenerately doped with niobium (MoS{sub 2}:Nb). The temperature dependence of the electrical resistivity is characterized by a power law, ρ(T) ∼ T{sup −0.25}, which indicates that the system resides within the critical regime of the metal-insulator (M-I) transition. By applying high magnetic field (∼7 T), we observed a 20% increase in the resistivity at 2 K. The positive magnetoresistance shows that charge transport in this system is governed by the Mott-like three-dimensional variable range hopping (VRH) at low temperatures. According to relationship between magnetic-field and temperature dependencies of VRH resistivity, we extracted a characteristic localization length of 19.8 nm for MoS{sub 2}:Nb on the insulating side of the M-I transition.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The effect of anisotropic heat transport on magnetic islands in 3-D configurations

An analytic theory of nonlinear pressure-induced magnetic island formation using a boundary layer analysis is presented. This theory extends previous work by including the effects of finite parallel heat transport and is applicable to general three dimensional magnetic configurations. In this work, particular attention is paid to the role of finite parallel heat conduction in the context of pressure-induced island physics. It is found that localized currents that require self-consistent deformation of the pressure profile, such as resistive interchange and bootstrap currents, are attenuated by finite parallel heat conduction when the magnetic islands are sufficiently small. However, these anisotropic effects do not change saturated island widths caused by Pfirsch-Schlueter current effects. Implications for finite pressure-induced island healing are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗