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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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DOE OSTI2015

Scanning nonlinear dielectric potentiometry

Measuring spontaneous polarization and permanent dipoles on surfaces and interfaces on the nanoscale is difficult because the induced electrostatic fields and potentials are often influenced by other phenomena such as the existence of monopole fixed charges, screening charges, and contact potential differences. A method based on tip-sample capacitance detection and bias feedback is proposed which is only sensitive to polarization- or dipole-induced potentials, unlike Kelvin probe force microscopy. The feasibility of this method was demonstrated by simultaneously measuring topography and polarization-induced potentials on a reconstructed Si(111)-(7 × 7) surface with atomic resolution.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Electrostatic point charge fitting as an inverse problem: Revealing the underlying ill-conditioning

Atom-centered point charge (PC) model of the molecular electrostatics—a major workhorse of the atomistic biomolecular simulations—is usually parameterized by least-squares (LS) fitting of the point charge values to a reference electrostatic potential, a procedure that suffers from numerical instabilities due to the ill-conditioned nature of the LS problem. To reveal the origins of this ill-conditioning, we start with a general treatment of the point charge fitting problem as an inverse problem and construct an analytical model with the point charges spherically arranged according to Lebedev quadrature which is naturally suited for the inverse electrostatic problem. This analytical model is contrasted to the atom-centered point-charge model that can be viewed as an irregular quadrature poorly suited for the problem. This analysis shows that the numerical problems of the point charge fitting are due to the decay of the curvatures corresponding to the eigenvectors of LS sum Hessian matrix. In part, this ill-conditioning is intrinsic to the problem and is related to decreasing electrostatic contribution of the higher multipole moments, that are, in the case of Lebedev grid model, directly associated with the Hessian eigenvectors. For the atom-centered model, this association breaks down beyond the first few eigenvectors related to the high-curvature monopole and dipole terms; this leads to even wider spread-out of the Hessian curvature values. Using these insights, it is possible to alleviate the ill-conditioning of the LS point-charge fitting without introducing external restraints and/or constraints. Also, as the analytical Lebedev grid PC model proposed here can reproduce multipole moments up to a given rank, it may provide a promising alternative to including explicit multipole terms in a force field.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

Mean force on a finite-sized rigid particle, droplet, or bubble in a viscous compressible medium

In this paper, a force formulation to compute the axial acoustic mean second-order force on finite-sized compressible and rigid particles is presented. The flow inside and outside the spherical inclusion is considered viscous and compressible. Other than for volumetric pulsations of the bubble/droplet, the sphericity of the inclusion is maintained (taken to be unity). A far-field derivation approach has been used to compute the force due to standing and traveling waves; and the force is expressed as a multipole expansion (infinite series). In case of a bubble and a rigid particle, there exist three length scales that govern the mean second-order force: mean radius of the spherical inclusion (R 0 ), wavelength of the incoming acoustics (λ), and the momentum diffusion thickness of the ambient fluid (δ o ). While R 0 and λ are arbitrary, we assume the viscous length scale is negligibly small compared to the acoustic wavelength. In case of a droplet, however, the following additional parameters (inside to outside fluid ratios) also play a role: density ratio ($\sim\atop{p}$), viscosity ratio ($\sim\atop{μ}$, and speed of sound ratio ($\sim\atop{c}$). The force expression yields the correct behavior in several limiting cases considered: (i) inviscid bubble and droplets with R 0 /λ « 1, (ii) inviscid bubbles with finite R 0 /λ, and (iii) finite size rigid immovable particles. In general, while the monopole alone is sufficient to capture the force for small bubbles, higher-order terms are found to be important when R 0 /λ ≥ 0.02. In addition to reporting similar behavior for droplets, we study the effect arising from $\sim\atop{p}$, $\sim\atop{μ}$, $\sim\atop{c}$, and δ o /R 0 on the mean second-order force.

42 ENGINEERING↗
DOE OSTI2015

Effect of particle-particle interactions on the acoustic radiation force in an ultrasonic standing wave

Ultrasonic standing waves are widely used for separation applications. In MEMS applications, a half wavelength standing wave field is generated perpendicular to a laminar flow. The acoustic radiation force exerted on the particle drives the particle to the center of the MEMS channel, where concentrated particles are harvested. In macro-scale applications, the ultrasonic standing wave spans multiple wavelengths. Examples of such applications are oil/water emulsion splitting [1], and blood/lipid separation [2]. In macro-scale applications, particles are typically trapped in the standing wave, resulting in clumping or coalescence of particles/droplets. Subsequent gravitational settling results in separation of the secondary phase. An often used expression for the radiation force on a particle is that derived by Gorkov [3]. The assumptions are that the particle size is small relative to the wavelength, and therefore, only monopole and dipole scattering contributions are used to calculate the radiation force. This framework seems satisfactory for MEMS scale applications where each particle is treated separately by the standing wave, and concentrations are typically low. In macro-scale applications, particle concentration is high, and particle clumping or droplet coalescence results in particle sizes not necessarily small relative to the wavelength. Ilinskii et al. developed a framework for calculation of the acoustic radiation force valid for any size particle [4]. However, this model does not take into account particle to particle effects, which can become important as particle concentration increases. It is known that an acoustic radiation force on a particle or a droplet is determined by the local field. An acoustic radiation force expression is developed that includes the effect of particle to particle interaction. The case of two neighboring particles is considered. The approach is based on sound scattering by the particles. The acoustic field at the location of one particle then consists of two components, the incident sound wave and the scattered field generated by the neighboring particle. The radiation force calculation then includes the contributions of these two fields and incorporates the mutual particle influence. In this investigation the droplet/particle influence on each other has been analyzed theoretically by using the method developed by Gorkov and modified by Ilinskii et al.

42 ENGINEERING↗
DOE OSTI2015

Electromagnetic cloak to restore the antenna radiation patterns affected by nearby scatter

We have theoretically verified the feasibility of the concept of mantle cloak for very high frequency (VHF) antenna communications. While the applicability of the concept has been demonstrated for an infinitely long cylindrical obstacle and infinitely long electric source [Y.R. Padooru, A.B. Yakovlev, and P.-Y. Chen and Andrea Alù, J. Appl. Phys., 112, 104902, (2012)], the use of this cloak in realistic conditions is not straightforward. In this paper as an electric source we consider a typical VHF monopole antenna mounted on ground plane together with a metallic cylindrical obstacle. The both ground plane and obstacle affect the antenna radiation scattering. Nevertheless, we could show that the mantle cloak can bee successfully applied to restore the radiation patterns of antenna even when the source, the cylindrical metallic obstacle, and the ground plane have finite length. We have studied the antenna adaptation in the presence of the cloaked obstacle and found that the complete radiation system is still functional in the bandwidth that is reduced only by 11%.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Decoupling antennas in printed technology using elliptical metasurface cloaks

In this paper, we extend the idea of reducing the electromagnetic interactions between transmitting radiators to the case of widely used planar antennas in printed technology based on the concept of mantle cloaking. Here, we show that how lightweight elliptical metasurface cloaks can be engineered to restore the intrinsic properties of printed antennas with strip inclusions. In order to present the novel approach, we consider two microstrip-fed monopole antennas resonating at slightly different frequencies cloaked by confocal elliptical metasurfaces formed by arrays of sub-wavelength periodic elements, partially embedded in the substrate. The presence of the metasurfaces leads to the drastic suppression of mutual near-field and far-field couplings between the antennas, and thus, their radiation patterns are restored as if they were isolated. Moreover, it is worth noting that this approach is not limited to printed radiators and can be applied to other planar structures as well.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Sub- and super-luminar propagation of structures satisfying Poynting-like theorem for incompressible generalized hydrodynamic fluid model depicting strongly coupled dusty plasma medium

The strongly coupled dusty plasma has often been modelled by the Generalized Hydrodynamic (GHD) model used for representing visco-elastic fluid systems. The incompressible limit of the model which supports transverse shear wave mode is studied in detail. In particular, dipole structures are observed to emit transverse shear waves in both the limits of sub- and super-luminar propagation, where the structures move slower and faster than the phase velocity of the shear waves, respectively. In the sub-luminar limit the dipole gets engulfed within the shear waves emitted by itself, which then backreacts on it and ultimately the identity of the structure is lost. However, in the super-luminar limit the emission appears like a wake from the tail region of the dipole. The dipole, however, keeps propagating forward with little damping but minimal distortion in its form. A Poynting-like conservation law with radiative, convective, and dissipative terms being responsible for the evolution of W, which is similar to “enstrophy” like quantity in normal hydrodynamic fluid systems, has also been constructed for the incompressible GHD equations. The conservation law is shown to be satisfied in all the cases of evolution and collision amidst the nonlinear structures to a great accuracy. It is shown that monopole structures which do not move at all but merely radiate shear waves, the radiative term, and dissipative losses solely contribute to the evolution of W. The dipolar structures, on the other hand, propagate in the medium and hence convection also plays an important role in the evolution of W.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Table-top two-color soft X-ray laser by means of Ni-like plasmas

Laser-produced Ni-like plasmas are known as active media for extreme ultraviolet lasing, with the flexibility to two-color lasing. Two-color laser generation is very complex at accelerator facilities. In this work, plasma lasing at the 3d{sup 9}4d{sup 1}(J = 0) → 3d{sup 9}4p{sup 1}(J = 1) (collisional-pumping process) and the 3d{sup 9}4f{sup 1}(J = 1) → 3d{sup 9}4d{sup 1}(J = 1) (photo-pumping process) transitions is studied experimentally and computationally. Several key characteristics of collisional- and photo-pumping laser, such as divergence, pointing stability, and intensity have been investigated. The measurements showed different pulse characteristics for the two lasing processes affected by plasma inhomogeneity in temperature and density. Analytical expressions of these characteristics for both collisional- and photo-pumping are derived. It is found that the plasma that maximizes the photo-pumping lasing is 20% hotter and 70% denser than the plasma that optimizes the collisional-pumping lasing. The gain of collisional pumping is ≈4 times higher than the gain for the photo-pumping. The gain lifetime is a factor of ≈5.2 larger for the monopole-pumping. Similarly, the gain thickness is a factor of ≈1.8 larger. It is also found that the gain build-up time for collisional- and photo-pumping is 0.7 ps and 0.9 ps, respectively, whereas the build-up length-scale is 11.5 μm and 6.3 μm, respectively.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Design of high-gain, wideband antenna using microwave hyperbolic metasurface

In this work, we apply hyperbolic metasurfaces (HMSs) to design high-gain and wideband antennas. It is shown that HMSs formed by a single layer of split-ring resonators (SRRs) can be excited to generate highly directive beams. In particular, we suggest two types of the SRR-HMS: a capacitively loaded SRR (CLSRR)-HMS and a substrate-backed double SRR (DSRR)-HMS. Both configurations ensure that the periodicity of the structures is sufficiently small for satisfying the effective medium theory. For the antenna design, we propose a two-layer-stacked configuration for the 2.4 GHz frequency band based on the DSRR-HMS excited by a folded monopole. Measurement results confirm numerical simulations and demonstrate that an antenna gain of more than 5 dBi can be obtained for the frequency range of 2.1 - 2.6 GHz, with a maximum gain of 7.8 dBi at 2.4 GHz.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Radiation characteristics of input power from surface wave sustained plasma antenna

This paper reports radiation characteristics of input power from a surface wave sustained plasma antenna investigated theoretically and experimentally, especially focusing on the power consumption balance between the plasma generation and the radiation. The plasma antenna is a dielectric tube filled with argon and small amount of mercury, and the structure is a basic quarter wavelength monopole antenna at 2.45 GHz. Microwave power at 2.45 GHz is supplied to the plasma antenna. The input power is partially consumed to sustain the plasma, and the remaining part is radiated as a signal. The relationship between the antenna gain and the input power is obtained by an analytical derivation and numerical simulations. As a result, the antenna gain is kept at low values, and most of the input power is consumed to increase the plasma volume until the tube is filled with the plasma whose electron density is higher than the critical electron density required for sustaining the surface wave. On the other hand, the input power is consumed to increase the electron density after the tube is fully filled with the plasma, and the antenna gain increases with increasing the electron density. The dependence of the antenna gain on the electron density is the same as that of a plasma antenna sustained by a DC glow discharge. These results are confirmed by experimental results of the antenna gain and radiation patterns. The antenna gain of the plasma is a few dB smaller than that of the identical metal antenna. The antenna gain of the plasma antenna is sufficient for the wireless communication, although it is difficult to substitute the plasma antenna for metal antennas completely. The plasma antenna is suitable for applications having high affinity with the plasma characteristics such as low interference and dynamic controllability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

The Reynolds stress induced by weakly up-down asymmetric ion temperature gradient mode

A weakly up-down asymmetric ion temperature gradient (ITG) mode (formed in the up-down symmetric equilibrium), localized in the bad curvature region, may contribute dominantly to the nonlinear Reynolds stress because its growth rate is higher than the competing modes: the strongly up-down asymmetric modes, and other modes peaked (poloidally) away from the outboard mid-plane. Based on the fluid ITG model, the parameterized analytic wave function is constructed in the two dimensional (2D) Fourier-ballooning representation, and numerically verified by making use of the finite difference methods. Analytic expressions for the poloidal Reynolds stresses, defined on a rational surface, are given for both the weakly and the strongly up-down asymmetric ITG modes. It is shown here that the poloidal stresses of both modes can be interpreted as a superposition of a monopole and a dipole structure. For comparison with the experiment, the stresses are calculated for L-mode discharge parameters on five machines. Analytic expressions for the total parallel Reynolds stresses (contributed from all rational surfaces) are also derived for both modes: they are also exhibited, graphically, using a Gaussian wave intensity model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Self-interaction correction in water–ion clusters

We study the importance of self-interaction errors in density functional approximations for various water–ion clusters. We have employed the Fermi-Löwdin orbital self-interaction correction (FLOSIC) method in conjunction with LSDA, PBE, and SCAN to describe binding energies of hydrogen-bonded water–ion clusters, i.e., water–hydronium, water– hydroxide, water–halide, as well as non-hydrogen-bonded water–alkali clusters. In the hydrogen-bonded water–ion clusters, the building blocks are linked by hydrogen atoms, although the links are much stronger and longer-ranged than the normal hydrogen bonds between water molecules, because the monopole on the ion interacts with both permanent and induced dipoles on the water molecules. We find that self-interaction errors overbind the hydrogen-bonded water– ion clusters and that FLOSIC reduces the error and brings the binding energies into closer agreement with higher–level calculations. Here, the non-hydrogen-bonded water–alkali clusters are not significantly affected by self-interaction errors. Self-interaction corrected PBE predicts the lowest mean unsigned error in binding energies (≤ 50 meV/H 2 O) for hydrogen-bonded water–ion clusters. Self-interaction errors are also largely dependent on the cluster size, and FLOSIC does not accurately capture the subtle variation in all clusters, indicating the need for further refinement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Solving the Orszag–Tang vortex magnetohydrodynamics problem with physics-constrained convolutional neural networks

We study the 2D Orszag–Tang vortex magnetohydrodynamics (MHD) problem through the use of physics-constrained convolutional neural networks (PCNNs) for forecasting the density, ρ, and the magnetic field, B, as well as the prediction of B given the velocity field v of the fluid. In addition to translation equivariance from the convolutional architecture, other physics constraints were embedded: absence of magnetic monopoles, non-negativity of ρ, use of only relevant variables, and the periodic boundary conditions of the problem. The use of only relevant variables and the hard constraint of non-negative ρ were found to facilitate learning greatly. The divergenceless condition ∇·B=0 was implemented as a hard constraint up to machine precision through the use of a magnetic potential to define B=∇×A. Residual networks and data augmentation were also used to improve performance. This allowed for some of the residual models to function as surrogate models and provide reasonably accurate simulations. For the prediction task, the PCNNs were evaluated against a physics-informed neural network, which had the ideal MHD induction equation as a soft constraint. Several models were able to generate highly accurate fields, which are visually almost indistinguishable and have low mean squared error. Only methods with built-in hard constraints produced physical fields with ∇·B=0. The use of PCNNs for MHD has the potential to produce physically consistent real-time simulations to serve as virtual diagnostics in cases where inferences must be made with limited observables.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Imaging the magnetic nanowire cross section and magnetic ordering within a suspended 3D artificial spin-ice

Artificial spin-ice systems are patterned arrays of magnetic nanoislands arranged into frustrated geometries and provide insight into the physics of ordering and emergence. The majority of these systems have been realized in two-dimensions, mainly due to the ease of fabrication, but with recent developments in advanced nanolithography, three-dimensional artificial spin ice (ASI) structures have become possible, providing a new paradigm in their study. Such artificially engineered 3D systems provide new opportunities in realizing tunable ground states, new domain wall topologies, monopole propagation, and advanced device concepts, such as magnetic racetrack memory. Direct imaging of 3DASI structures with magnetic force microscopy has thus far been key to probing the physics of these systems but is limited in both the depth of measurement and resolution, ultimately restricting measurement to the uppermost layers of the system. In this work, a method is developed to fabricate 3DASI lattices over an aperture using two-photon lithography, thermal evaporation, and oxygen plasma exposure, allowing the probe of element-specific structural and magnetic information using soft x-ray microscopy with x-ray magnetic circular dichroism (XMCD) as magnetic contrast. The suspended polymer–permalloy lattices are found to be stable under repeated soft x-ray exposure. Analysis of the x-ray absorption signal allows the complex cross section of the magnetic nanowires to be reconstructed and demonstrates a crescent-shaped geometry. Measurement of the XMCD images after the application of an in-plane field suggests a decrease in magnetic moment on the lattice surface due to oxidation, while a measurable signal is retained on sub-lattices below the surface.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Algebra of invariants for the Vlasov–Maxwell system

The algebra of invariants for both the relativistic and nonrelativistic multispecies Vlasov–Maxwell system is examined, including the case with a fixed ion background. Invariants and their associated fluxes are obtained directly from the Vlasov–Maxwell system. The invariants are shown to Poisson commute with the Hamiltonian and the rest of the Poisson bracket algebra of invariants is identified. Special attention is given to the role played by the monopole condition, ∇ · B.

Fundamental invariants↗
DOE OSTI2016

Topological defects and topological materials

We report that defects in materials that interpolate between two orientation states such as domain walls and those which relate to some kind of material discontinuity, e.g. dislocations and disclinations, comprise topological defects. Noncoplanar vector arrangements, e.g. vortices, skyrmions, and possibly monopole-like excitations, also belong to this family of defects. Presence of such defects affects many of the macroscopic properties of materials, for example electronic transport and strength. Materials in which topological aspects, e.g. edge or surface states, affect the electronic, transport and other properties can be described as topological materials. Topological insulators, topological superconductors and certain Dirac materials, e.g. graphene and Weyl semimetals, belong to this class of materials. Lastly, these materials possess unusual functionalities potentially useful in a variety of information processing and quantum computation based applications.

36 MATERIALS SCIENCE↗
DOE OSTI2011

MEASURING THE DARK FLOW WITH PUBLIC X-RAY CLUSTER DATA

We present new results on the 'dark flow' from a measurement of the dipole in the distribution of peculiar velocities of galaxy clusters, applying the methodology proposed and developed by us earlier. Our latest measurement is conducted using new, low-noise 7 yr WMAP data as well as an all-sky sample of X-ray-selected galaxy clusters compiled exclusively from published catalogs. Our analysis of the cosmic microwave background signature of the kinematic Sunyaev-Zel'dovich (SZ) effect finds a statistically significant dipole at the location of galaxy clusters. The residual dipole outside the cluster regions is small, rendering our overall measurement 3{sigma}-4{sigma} significant. The amplitude of the dipole correlates with cluster properties, being larger for the most X-ray luminous clusters, as required if the signal is produced by the SZ effect. Since it is measured at zero monopole, the dipole cannot be due to the thermal SZ effect. Our results are consistent with those obtained earlier by us from 5 yr WMAP data and using a proprietary cluster catalog. In addition, they are robust to quadrupole removal, demonstrating that quadrupole leakage contributes negligibly to the signal. The lower noise of the 7 yr WMAP also allows us, for the first time, to obtain tentative empirical confirmation of our earlier conjecture that the adopted filtering alters the sign of the kinematic SZ (KSZ) effect for realistic clusters and thus of the deduced direction of the flow. The latter is consistent with our earlier measurement in both the amplitude and direction. Assuming the filtering indeed alters the sign of the KSZ effect from the clusters, the direction agrees well also with the results of independent work using galaxies as tracers at lower distances. We make all maps and cluster templates derived by us from public data available to the scientific community to allow independent tests of our method and findings.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

INTERPRETATION OF THE ARCADE 2 ABSOLUTE SKY BRIGHTNESS MEASUREMENT

We use absolutely calibrated data between 3 and 90 GHz from the 2006 balloon flight of the ARCADE 2 instrument, along with previous measurements at other frequencies, to constrain models of extragalactic emission. Such emission is a combination of the cosmic microwave background (CMB) monopole, Galactic foreground emission, the integrated contribution of radio emission from external galaxies, any spectral distortions present in the CMB, and any other extragalactic source. After removal of estimates of foreground emission from our own Galaxy, and an estimated contribution of external galaxies, we present fits to a combination of the flat-spectrum CMB and potential spectral distortions in the CMB. We find 2{sigma} upper limits to CMB spectral distortions of {mu} < 6 x 10{sup -4} and |Y{sub ff}| < 1 x 10{sup -4}. We also find a significant detection of a residual signal beyond that, which can be explained by the CMB plus the integrated radio emission from galaxies estimated from existing surveys. This residual signal may be due to an underestimated galactic foreground contribution, an unaccounted for contribution of a background of radio sources, or some combination of both. The residual signal is consistent with emission in the form of a power law with amplitude 18.4 {+-} 2.1 K at 0.31 GHz and a spectral index of -2.57 {+-} 0.05.

79 ASTRONOMY AND ASTROPHYSICS↗