Synthesis, characterization and in vitro antimicrobial studies of Co(II), Ni(II) and Cu(II) complexes derived from macrocyclic compartmental ligand

NASA Astrophysics Data System (ADS)

El-Gammal, O. A.; Bekheit, M. M.; El-Brashy, S. A.

2015-02-01

New Co(II), Ni(II) and Cu(II) complexes derived from tetradentate macrocyclic nitrogen ligand, (1E,4E,8E,12E)-5,8,13,16-tetramethyl-1,4,9,12-tetrazacyclohexadeca-4,8,12,16-tetraene (EDHDH) have been synthesized. The complexes have been characterized by elemental analysis, spectral (IR, UV-Vis, 1H NMR and ESR (for Cu(II) complex)) mass, and magnetic as well as thermal analysis measurements. The complexes afforded the formulae: [Cu(EDHDH)Cl2]·2EtOH and [M(EDHDH)X2]·nH2O where M = Co(II) and Ni(II), X = Cl- or OH-, n = 1,0, respectively. The data revealed an octahedral arrangement with N4 tetradentate donor sites in addition to two Cl atoms occupying the other two sites. ESR spectrum of Cu2+ complex confirmed the suggested geometry with values of a α2and β2 indicating that the in-plane σ-bonding and in-plane π-bonding are appreciably covalent, and are consistent with very strong σ-in-plane bonding in the complexes. The molecular modeling is drawn and showed the bond length, bond angle, chemical reactivity, energy components (kcal/mol) and binding energy (kcal/mol) for all the title compounds using DFT method. Also, the thermal behavior and the kinetic parameters of degradation were determined using Coats-Redfern and Horowitz-Metzger methods. Moreover, the in vitro antibacterial studies of all compounds screened against pathogenic bacteria (two Gram +ve and two Gram -ve) to assess their inhibiting potential. The assay indicated that the inhibition potential is metal ion dependent. The ligand, EDHDH, Co(II) and Cu(II) complexes exhibited a remarkable antibacterial activity against Streptococcus Pyogenes as Gram +ve and Proteus vulgaris as Gram -ve bacterial strains. On the other hand, Ni(II) complex revealed a moderate antibacterial activity against both Gram +ve organisms and no activity against Gram -ve bacterial strain.

Information-Theoretical Complexity Analysis of Selected Elementary Chemical Reactions

NASA Astrophysics Data System (ADS)

Molina-Espíritu, M.; Esquivel, R. O.; Dehesa, J. S.

We investigate the complexity of selected elementary chemical reactions (namely, the hydrogenic-abstraction reaction and the identity SN2 exchange reaction) by means of the following single and composite information-theoretic measures: disequilibrium (D), exponential entropy(L), Fisher information (I), power entropy (J), I-D, D-L and I-J planes and Fisher-Shannon (FS) and Lopez-Mancini-Calbet (LMC) shape complexities. These quantities, which are functionals of the one-particle density, are computed in both position (r) and momentum (p) spaces. The analysis revealed that the chemically significant regions of these reactions can be identified through most of the single information-theoretic measures and the two-component planes, not only the ones which are commonly revealed by the energy, such as the reactant/product (R/P) and the transition state (TS), but also those that are not present in the energy profile such as the bond cleavage energy region (BCER), the bond breaking/forming regions (B-B/F) and the charge transfer process (CT). The analysis of the complexities shows that the energy profile of the abstraction reaction bears the same information-theoretical features of the LMC and FS measures, however for the identity SN2 exchange reaction does not hold a simple behavior with respect to the LMC and FS measures. Most of the chemical features of interest (BCER, B-B/F and CT) are only revealed when particular information-theoretic aspects of localizability (L or J), uniformity (D) and disorder (I) are considered.

Spot-shadowing optimization to mitigate damage growth in a high-energy-laser amplifier chain.

PubMed

Bahk, Seung-Whan; Zuegel, Jonathan D; Fienup, James R; Widmayer, C Clay; Heebner, John

2008-12-10

A spot-shadowing technique to mitigate damage growth in a high-energy laser is studied. Its goal is to minimize the energy loss and undesirable hot spots in intermediate planes of the laser. A nonlinear optimization algorithm solves for the complex fields required to mitigate damage growth in the National Ignition Facility amplifier chain. The method is generally applicable to any large fusion laser.

A note on singularities of the 3-D Euler equation

NASA Technical Reports Server (NTRS)

Tanveer, S.

1994-01-01

In this paper, we consider analytic initial conditions with finite energy, whose complex spatial continuation is a superposition of a smooth background flow and a singular field. Through explicit calculation in the complex plane, we show that under some assumptions, the solution to the 3-D Euler equation ceases to be analytic in the real domain in finite time.

Hyperasymptotics and quark-hadron duality violations in QCD

NASA Astrophysics Data System (ADS)

Boito, Diogo; Caprini, Irinel; Golterman, Maarten; Maltman, Kim; Peris, Santiago

2018-03-01

We investigate the origin of the quark-hadron duality-violating terms in the expansion of the QCD two-point vector correlation function at large energies in the complex q2 plane. Starting from the dispersive representation for the associated polarization, the analytic continuation of the operator product expansion from the Euclidean to the Minkowski region is performed by means of a generalized Borel-Laplace transform, borrowing techniques from hyperasymptotics. We establish a connection between singularities in the Borel plane and quark-hadron duality-violating contributions. Starting with the assumption that for QCD at Nc=∞ the spectrum approaches a Regge trajectory at large energy, we obtain an expression for quark-hadron duality violations at large, but finite Nc.

Use of complex frequency plane to design broadband and sub-wavelength absorbers.

PubMed

Romero-García, V; Theocharis, G; Richoux, O; Pagneux, V

2016-06-01

The reflection of sound of frequency below 1 kHz, by a rigid-backed structure that contains sub-wavelength resonators is studied in this work. In particular, only single mode reflected waves are considered, an approximation which is accurate in this low frequency regime. A method of analysis of absorption that uses the structure of the reflection coefficient in the complex frequency plane is proposed. In the absence of losses, the reflection coefficient supports pairs of poles and zeros that are complex conjugate and which have imaginary parts linked to the energy leakage by radiation. When losses are introduced and balanced to the leakage, the critical coupling condition is satisfied and total absorption is obtained. Examples of a slot resonator and of multiple Helmholtz resonators are analyzed to obtain both narrow and broadband total absorption.

Full thermomechanical coupling in modelling of micropolar thermoelasticity

NASA Astrophysics Data System (ADS)

Murashkin, E. V.; Radayev, Y. N.

2018-04-01

The present paper is devoted to plane harmonic waves of displacements and microrotations propagating in fully coupled thermoelastic continua. The analysis is carried out in the framework of linear conventional thermoelastic micropolar continuum model. The reduced energy balance equation and the special form of the Helmholtz free energy are discussed. The constitutive constants providing fully coupling of equations of motion and heat conduction are considered. The dispersion equation is derived and analysed in the form bi-cubic and bi-quadratic polynoms product. The equation are analyzed by the computer algebra system Mathematica. Algebraic forms expressed by complex multivalued square and cubic radicals are obtained for wavenumbers of transverse and longitudinal waves. The exact forms of wavenumbers of a plane harmonic coupled thermoelastic waves are computed.

Effective-range function methods for charged particle collisions

NASA Astrophysics Data System (ADS)

Gaspard, David; Sparenberg, Jean-Marc

2018-04-01

Different versions of the effective-range function method for charged particle collisions are studied and compared. In addition, a novel derivation of the standard effective-range function is presented from the analysis of Coulomb wave functions in the complex plane of the energy. The recently proposed effective-range function denoted as Δℓ [Ramírez Suárez and Sparenberg, Phys. Rev. C 96, 034601 (2017), 10.1103/PhysRevC.96.034601] and an earlier variant [Hamilton et al., Nucl. Phys. B 60, 443 (1973), 10.1016/0550-3213(73)90193-4] are related to the standard function. The potential interest of Δℓ for the study of low-energy cross sections and weakly bound states is discussed in the framework of the proton-proton S10 collision. The resonant state of the proton-proton collision is successfully computed from the extrapolation of Δℓ instead of the standard function. It is shown that interpolating Δℓ can lead to useful extrapolation to negative energies, provided scattering data are known below one nuclear Rydberg energy (12.5 keV for the proton-proton system). This property is due to the connection between Δℓ and the effective-range function by Hamilton et al. that is discussed in detail. Nevertheless, such extrapolations to negative energies should be used with caution because Δℓ is not analytic at zero energy. The expected analytic properties of the main functions are verified in the complex energy plane by graphical color-based representations.

Plane Evanescent Waves and Interface Waves

NASA Astrophysics Data System (ADS)

Luppé, F.; Conoir, J. M.; El Kettani, M. Ech-Cherif; Lenoir, O.; Izbicki, J. L.; Duclos, J.; Poirée, B.

The evanescent plane wave formalism is used to obtain the characteristic equation of the normal vibration modes of a plane elastic solid embedded in a perfect fluid. Simple drawings of the real and imaginary parts of complex wave vectors make quite clear the choice of the Riemann sheets on which the roots of the characteristic equation are to be looked for. The generalized Rayleigh wave and the Scholte - Stoneley wave are then described. The same formalism is used to describe Lamb waves on an elastic plane plate immersed in water. The damping, due to energy leaking in the fluid, is shown to be directly given by the projection of evanescence vectors on the interface. Measured values of the damping coefficient are in good agreement with those derived from calculations. The width of the angular resonances associated to Lamb waves or Rayleigh waves is also directly related to this same evanescence vectors projection, as well as the excitation coefficient of a given Lamb wave excited by a plane incident wave. This study shows clearly the strong correlation between the resonance point of view and the wave one in plane interface problems.

Molecular Architecture of Plant Thylakoids under Physiological and Light Stress Conditions: A Study of Lipid–Light-Harvesting Complex II Model Membranes[C][W

PubMed Central

Janik, Ewa; Bednarska, Joanna; Zubik, Monika; Puzio, Michal; Luchowski, Rafal; Grudzinski, Wojciech; Mazur, Radoslaw; Garstka, Maciej; Maksymiec, Waldemar; Kulik, Andrzej; Dietler, Giovanni; Gruszecki, Wieslaw I.

2013-01-01

In this study, we analyzed multibilayer lipid-protein membranes composed of the photosynthetic light-harvesting complex II (LHCII; isolated from spinach [Spinacia oleracea]) and the plant lipids monogalcatosyldiacylglycerol and digalactosyldiacylglycerol. Two types of pigment-protein complexes were analyzed: those isolated from dark-adapted leaves (LHCII) and those from leaves preilluminated with high-intensity light (LHCII-HL). The LHCII-HL complexes were found to be partially phosphorylated and contained zeaxanthin. The results of the x-ray diffraction, infrared imaging microscopy, confocal laser scanning microscopy, and transmission electron microscopy revealed that lipid-LHCII membranes assemble into planar multibilayers, in contrast with the lipid-LHCII-HL membranes, which form less ordered structures. In both systems, the protein formed supramolecular structures. In the case of LHCII-HL, these structures spanned the multibilayer membranes and were perpendicular to the membrane plane, whereas in LHCII, the structures were lamellar and within the plane of the membranes. Lamellar aggregates of LHCII-HL have been shown, by fluorescence lifetime imaging microscopy, to be particularly active in excitation energy quenching. Both types of structures were stabilized by intermolecular hydrogen bonds. We conclude that the formation of trans-layer, rivet-like structures of LHCII is an important determinant underlying the spontaneous formation and stabilization of the thylakoid grana structures, since the lamellar aggregates are well suited to dissipate excess energy upon overexcitation. PMID:23898030

Molecular architecture of plant thylakoids under physiological and light stress conditions: a study of lipid-light-harvesting complex II model membranes.

PubMed

Janik, Ewa; Bednarska, Joanna; Zubik, Monika; Puzio, Michal; Luchowski, Rafal; Grudzinski, Wojciech; Mazur, Radoslaw; Garstka, Maciej; Maksymiec, Waldemar; Kulik, Andrzej; Dietler, Giovanni; Gruszecki, Wieslaw I

2013-06-01

In this study, we analyzed multibilayer lipid-protein membranes composed of the photosynthetic light-harvesting complex II (LHCII; isolated from spinach [Spinacia oleracea]) and the plant lipids monogalcatosyldiacylglycerol and digalactosyldiacylglycerol. Two types of pigment-protein complexes were analyzed: those isolated from dark-adapted leaves (LHCII) and those from leaves preilluminated with high-intensity light (LHCII-HL). The LHCII-HL complexes were found to be partially phosphorylated and contained zeaxanthin. The results of the x-ray diffraction, infrared imaging microscopy, confocal laser scanning microscopy, and transmission electron microscopy revealed that lipid-LHCII membranes assemble into planar multibilayers, in contrast with the lipid-LHCII-HL membranes, which form less ordered structures. In both systems, the protein formed supramolecular structures. In the case of LHCII-HL, these structures spanned the multibilayer membranes and were perpendicular to the membrane plane, whereas in LHCII, the structures were lamellar and within the plane of the membranes. Lamellar aggregates of LHCII-HL have been shown, by fluorescence lifetime imaging microscopy, to be particularly active in excitation energy quenching. Both types of structures were stabilized by intermolecular hydrogen bonds. We conclude that the formation of trans-layer, rivet-like structures of LHCII is an important determinant underlying the spontaneous formation and stabilization of the thylakoid grana structures, since the lamellar aggregates are well suited to dissipate excess energy upon overexcitation.

The Spectral Web of stationary plasma equilibria. I. General theory

NASA Astrophysics Data System (ADS)

Goedbloed, J. P.

2018-03-01

A new approach to computing the complex spectrum of magnetohydrodynamic waves and instabilities of moving plasmas is presented. It is based on the concept of the Spectral Web, exploiting the self-adjointness of the generalized Frieman-Rotenberg force operator, G, and the Doppler-Coriolis gradient operator parallel to the velocity, U. The problem is solved with an open boundary, where the complementary energy Wcom represents the amount of energy to be delivered to or extracted from the system to maintain a harmonic time-dependence. The eigenvalues are connected by a system of curves in the complex ω-plane, the solution path and the conjugate path (where Wcom is real or imaginary) which together constitute the Spectral Web, having a characteristic geometry that has to be clarified yet, but that has a deep physical significance. It is obtained by straightforward contour plotting of the two paths. The complex eigenvalues, within a specified rectangle of the complex ω-plane, are found by fast, reliable, and accurate iterations. Real and complex oscillation theorems, replacing the familiar tool of counting nodes of eigenfunctions, provide an associated mechanism of mode tracking along the two paths. The Spectral Web method is generalized to toroidal systems and extended to include a resistive wall by accounting for the dissipation in such a wall. It is applied in an accompanying Paper II [J. P. Goedbloed, Phys. Plasmas 25, 032110 (2018).] to a multitude of the basic fundamental instabilities operating in cylindrical plasmas.

Modal Control of a Satellite in Orbit about L3.

DTIC Science & Technology

1980-12-01

the right- half of the complex plane , are removed via the controller moving the unstable roots from the right- half to the left- half of the ...complex plane . Simultaneously, the other system roots remain in their original locations in the complex plane . Since the Poincare exponents of Hamiltonian... half - plane , the conjugate root in the left- half -

Graphical Representation of Complex Solutions of the Quadratic Equation in the "xy" Plane

ERIC Educational Resources Information Center

McDonald, Todd

2006-01-01

This paper presents a visual representation of complex solutions of quadratic equations in the xy plane. Rather than moving to the complex plane, students are able to experience a geometric interpretation of the solutions in the xy plane. I am also working on these types of representations with higher order polynomials with some success.

Trajectory optimization for the National Aerospace Plane

NASA Technical Reports Server (NTRS)

Lu, Ping

1993-01-01

The objective of this second phase research is to investigate the optimal ascent trajectory for the National Aerospace Plane (NASP) from runway take-off to orbital insertion and address the unique problems associated with the hypersonic flight trajectory optimization. The trajectory optimization problem for an aerospace plane is a highly challenging problem because of the complexity involved. Previous work has been successful in obtaining sub-optimal trajectories by using energy-state approximation and time-scale decomposition techniques. But it is known that the energy-state approximation is not valid in certain portions of the trajectory. This research aims at employing full dynamics of the aerospace plane and emphasizing direct trajectory optimization methods. The major accomplishments of this research include the first-time development of an inverse dynamics approach in trajectory optimization which enables us to generate optimal trajectories for the aerospace plane efficiently and reliably, and general analytical solutions to constrained hypersonic trajectories that has wide application in trajectory optimization as well as in guidance and flight dynamics. Optimal trajectories in abort landing and ascent augmented with rocket propulsion and thrust vectoring control were also investigated. Motivated by this study, a new global trajectory optimization tool using continuous simulated annealing and a nonlinear predictive feedback guidance law have been under investigation and some promising results have been obtained, which may well lead to more significant development and application in the near future.

Argand-plane vorticity singularities in complex scalar optical fields: an experimental study using optical speckle.

PubMed

Rothschild, Freda; Bishop, Alexis I; Kitchen, Marcus J; Paganin, David M

2014-03-24

The Cornu spiral is, in essence, the image resulting from an Argand-plane map associated with monochromatic complex scalar plane waves diffracting from an infinite edge. Argand-plane maps can be useful in the analysis of more general optical fields. We experimentally study particular features of Argand-plane mappings known as "vorticity singularities" that are associated with mapping continuous single-valued complex scalar speckle fields to the Argand plane. Vorticity singularities possess a hierarchy of Argand-plane catastrophes including the fold, cusp and elliptic umbilic. We also confirm their connection to vortices in two-dimensional complex scalar waves. The study of vorticity singularities may also have implications for higher-dimensional fields such as coherence functions and multi-component fields such as vector and spinor fields.

The Volume Field Model about Strong Interaction and Weak Interaction

NASA Astrophysics Data System (ADS)

Liu, Rongwu

2016-03-01

For a long time researchers have believed that strong interaction and weak interaction are realized by exchanging intermediate particles. This article proposes a new mechanism as follows: Volume field is a form of material existence in plane space, it takes volume-changing motion in the form of non-continuous motion, volume fields have strong interaction or weak interaction between them by overlapping their volume fields. Based on these concepts, this article further proposes a ``bag model'' of volume field for atomic nucleus, which includes three sub-models of the complex structure of fundamental body (such as quark), the atom-like structure of hadron, and the molecule-like structure of atomic nucleus. This article also proposes a plane space model and formulates a physics model of volume field in the plane space, as well as a model of space-time conversion. The model of space-time conversion suggests that: Point space-time and plane space-time convert each other by means of merging and rupture respectively, the essence of space-time conversion is the mutual transformations of matter and energy respectively; the process of collision of high energy hadrons, the formation of black hole, and the Big Bang of universe are three kinds of space-time conversions.

A Thin Lens Model for Charged-Particle RF Accelerating Gaps

DOE Office of Scientific and Technical Information (OSTI.GOV)

Allen, Christopher K.

Presented is a thin-lens model for an RF accelerating gap that considers general axial fields without energy dependence or other a priori assumptions. Both the cosine and sine transit time factors (i.e., Fourier transforms) are required plus two additional functions; the Hilbert transforms the transit-time factors. The combination yields a complex-valued Hamiltonian rotating in the complex plane with synchronous phase. Using Hamiltonians the phase and energy gains are computed independently in the pre-gap and post-gap regions then aligned using the asymptotic values of wave number. Derivations of these results are outlined, examples are shown, and simulations with the model aremore » presented.« less

Energy transfer in turbulence under rotation

NASA Astrophysics Data System (ADS)

Buzzicotti, Michele; Aluie, Hussein; Biferale, Luca; Linkmann, Moritz

2018-03-01

It is known that rapidly rotating turbulent flows are characterized by the emergence of simultaneous upscale and downscale energy transfer. Indeed, both numerics and experiments show the formation of large-scale anisotropic vortices together with the development of small-scale dissipative structures. However the organization of interactions leading to this complex dynamics remains unclear. Two different mechanisms are known to be able to transfer energy upscale in a turbulent flow. The first is characterized by two-dimensional interactions among triads lying on the two-dimensional, three-component (2D3C)/slow manifold, namely on the Fourier plane perpendicular to the rotation axis. The second mechanism is three-dimensional and consists of interactions between triads with the same sign of helicity (homochiral). Here, we present a detailed numerical study of rotating flows using a suite of high-Reynolds-number direct numerical simulations (DNS) within different parameter regimes to analyze both upscale and downscale cascade ranges. We find that the upscale cascade at wave numbers close to the forcing scale is generated by increasingly dominant homochiral interactions which couple the three-dimensional bulk and the 2D3C plane. This coupling produces an accumulation of energy in the 2D3C plane, which then transfers energy to smaller wave numbers thanks to the two-dimensional mechanism. In the forward cascade range, we find that the energy transfer is dominated by heterochiral triads and is dominated primarily by interaction within the fast manifold where kz≠0 . We further analyze the energy transfer in different regions in the real-space domain. In particular, we distinguish high-strain from high-vorticity regions and we uncover that while the mean transfer is produced inside regions of strain, the rare but extreme events of energy transfer occur primarily inside the large-scale column vortices.

Out-of-Plane Designed Soft Metasurface for Tunable Surface Plasmon Polariton.

PubMed

Liu, Xin; Huang, Zhao; Zhu, Chengkai; Wang, Li; Zang, Jianfeng

2018-02-14

Reliable and repeatable tunability gives functional diversity for reconfigurable plasmonics devices, while reversible and large mechanical deformation enabled by soft materials provides a new way for the global or partial regulation of metadevices. Here, we demonstrate a soft metasurface with an out-of-plane design for tuning the energy of surface plasmon polaritons (SPPs) bloch wave using theory, simulation, and experiments. Our metasurface is composed of two-layered gold nanoribbon arrays (2GNRs) on a soft substrate. The out-of-plane coupling mechanism is systematically analyzed in terms of separation height effect. Moreover, by harnessing mechanical deformation, continuously tunable plasmonic resonance has been achieved in the visible and near-infrared ranges. We further studied the angle-dependent reflection spectra of our metastructure. Compared with its planar counterpart, our soft and two-layered metastructure exhibits diverse tunability and significant field enhancement by out-of-plane interactions. Our approach in designing soft metasurface with out-of-plane structures can be extended to more-complex photonic devices and finds prominent applications such as biosensing, high-density plasmonic circuits, surface-enhanced luminescence, and surface-enhanced Raman scattering.

Plane Transformations in a Complex Setting I: Homotheties-Translations

ERIC Educational Resources Information Center

Dana-Picard, T.

2006-01-01

A previous note described how complex numbers can be used for elementary analytic geometry in the plane, describing lines, circles and their intersections using complex Cartesian equations. In the present note, a description of elementary plane transformations, namely homotheties and translations, their group structure and their operations on…

Theoretical studies of the nucleophilic substitution of halides and amine at a sulfonyl center.

PubMed

Sung, Dae Dong; Kim, Tae Joon; Lee, Ikchoon

2009-06-25

Gas-phase nucleophilic substitution reactions, F(-) + CH(3)SO(2)F, Cl(-) + CH(3)SO(2)Cl, Cl(-) + CH(3)SO(2)F, and NH(3) + CH(3)SO(2)Cl, have been investigated at the B3LYP/6-311+G** and MP2/6-31+G* levels of theory. A very shallow well for the reaction intermediate in a triple-well potential energy surface (PES) was observed for the identity fluoride exchange, but double well PESs were obtained for the other three reactions with three different PES profiles. NBO analyses of the transition states showed substantial charge transfer interactions in all cases which provided a much larger amount of stabilization energy compared with the corresponding species at the carbon center of methyl halides. This difference is primarily caused by the strong electropositive nature of the sulfur center. The F-S-F axial linkage in the distorted TBP type intermediate in the identity fluoride exchange reaction exhibited a weak three-center, four-electron omega-bonding, which is considered to provide stability of the intermediate. All the reactant (RC) and product complexes (PC) have Cs symmetry. The symmetry plane bisects angles HCH (of methyl group), OSO (of sulfonyl group), and HNH (of ammonia). Vicinal charge transfer interactions between the two out-of-plane C-H, S-O, and N-H bonds provide extra stabilization to the ion-dipole complexes together with H-bond formation of in-plane H atom with the nucleophile and/or leaving group.

Ab-initio calculation for cation vacancy formation energy in anti-fluorite structure

NASA Astrophysics Data System (ADS)

Saleel, V. P. Saleel Ahammad; Chitra, D.; Veluraja, K.; Eithiraj, R. D.

2018-04-01

Lithium oxide (Li2O) has been suggested as a suitable breeder blanket material for fusion reactors. Li+ vacancies are created by neutron irradiation, forming bulk defect complex whose extra character is experimentally unclear. We present a theoretical study of Li2O using density functional theory (DFT) with a plane-wave basis set. The generalized gradient approximation (GGA) and local-density approximation (LDA) were used for exchange and correlation. Here we address the total energy for defect free, cation defect, cation vacancy and vacancy formation energy in Li2O crystal in anti-fluorite structure.

Spectroscopic, computational and electrochemical studies on the formation of the copper complex of 1-amino-4-hydroxy-9,10-anthraquinone and effect of it on superoxide formation by NADH dehydrogenase.

PubMed

Roy, Sanjay; Mondal, Palash; Sengupta, Partha Sarathi; Dhak, Debasis; Santra, Ramesh Chandra; Das, Saurabh; Guin, Partha Sarathi

2015-03-28

A 1 : 2 copper(II) complex of 1-amino-4-hydroxy-9,10-anthraquinone (QH) having the molecular formula CuQ2 was prepared and characterized by elemental analysis, NMR, FTIR, UV-vis and mass spectroscopy. The powder diffraction of the solid complex, magnetic susceptibility and ESR spectra were also recorded. The presence of the planar anthraquinone moiety in the complex makes it extremely difficult to obtain a single crystal suitable for X-ray diffraction studies. To overcome this problem, density functional theory (DFT) was used to evaluate an optimized structure of CuQ2. In the optimized structure, it was found that there is a tilt of the two planar aromatic anthraquinone rings of the complex with respect to each other in the two planes containing the O-Cu(II)-O plane. The present study is an important addition to the understanding of the structural aspects of metal-anthracyclines because there are only a few reports on the actual structures of metal-anthracyclines. The theoretical vibrational spectrum of the complex was assigned with the help of vibrational energy distribution analysis (VEDA) using potential energy distribution (PED) and compared with experimental results. Being important in producing the biochemical action of this class of molecules, the electrochemical behavior of the complex was studied in aqueous and non-aqueous solvents to find certain electrochemical parameters. In aqueous media, reduction involves a kinetic effect during electron transfer at an electrode surface, which was characterized very carefully using cyclic voltammetry. Electrochemical studies showed a significant modification in the electrochemical properties of 1-amino-4-hydroxy-9,10-anthraquinone (QH) when bound to Cu(II) in the complex compared to those observed for free QH. This suggests that the copper complex might be a good choice as a biologically active molecule, which was reflected in the lack of stimulated superoxide generation by the complex.

T-L Plane Abstraction-Based Energy-Efficient Real-Time Scheduling for Multi-Core Wireless Sensors.

PubMed

Kim, Youngmin; Lee, Ki-Seong; Pham, Ngoc-Son; Lee, Sun-Ro; Lee, Chan-Gun

2016-07-08

Energy efficiency is considered as a critical requirement for wireless sensor networks. As more wireless sensor nodes are equipped with multi-cores, there are emerging needs for energy-efficient real-time scheduling algorithms. The T-L plane-based scheme is known to be an optimal global scheduling technique for periodic real-time tasks on multi-cores. Unfortunately, there has been a scarcity of studies on extending T-L plane-based scheduling algorithms to exploit energy-saving techniques. In this paper, we propose a new T-L plane-based algorithm enabling energy-efficient real-time scheduling on multi-core sensor nodes with dynamic power management (DPM). Our approach addresses the overhead of processor mode transitions and reduces fragmentations of the idle time, which are inherent in T-L plane-based algorithms. Our experimental results show the effectiveness of the proposed algorithm compared to other energy-aware scheduling methods on T-L plane abstraction.

Comparing slow and fast rupture in laboratory experiments

NASA Astrophysics Data System (ADS)

Aben, F. M.; Brantut, N.; David, E.; Mitchell, T. M.

2017-12-01

During the brittle failure of rock, elastically stored energy is converted into a localized fracture plane and surrounding fracture damage, seismic radiation, and thermal energy. However, the partitioning of energy might vary with the rate of elastic energy release during failure. Here, we present the results of controlled (slow) and dynamic (fast) rupture experiments on dry Lanhélin granite and Westerly granite samples, performed under triaxial stress conditions at confining pressures of 50 and 100 MPa. During the tests, we measured sample shortening, axial load and local strains (with 2 pairs of strain gauges glued directly onto the sample). In addition, acoustic emissions (AEs) and changes in seismic velocities were monitored. The AE rate was used as an indicator to manually control the axial load on the sample to stabilize rupture in the quasi-static failure experiments. For the dynamic rupture experiments a constant strain rate of 10-5 s-1 was applied until sample failure. A third experiment, labeled semi-controlled rupture, involved controlled rupture up to a point where the rupture became unstable and the remaining elastic energy was released dynamically. All experiments were concluded after a macroscopic fracture had developed across the whole sample and frictional sliding commenced. Post-mortem samples were epoxied, cut and polished to reveal the macroscopic fracture and the surrounding damage zone. The samples failed with average rupture velocities varying from 5x10-6 m/s up to >> 0.1 m/s. The analyses of AE locations on the slow ruptures reveal that within Westerly granite samples - with a smaller grain size - fracture planes are disbanded in favor of other planes when a geometrical irregularity is encountered. For the coarser grained Lanhélin granite a single fracture plane is always formed, although irregularities are recognized as well. The semi-controlled experiments show that for both rock types the rupture can become unstable in response to these irregularities. In Westerly granite, slow rupture experiments tend to produce complex fracture patterns while during the dynamic rupture experiments secondary rupture planes are not formed. These findings show that grain or flaw size, flaw distribution, and rupture speed strongly influence fracture localization and propagation.

f(T) gravity and energy distribution in Landau-Lifshitz prescription

NASA Astrophysics Data System (ADS)

Ganiou, M. G.; Houndjo, M. J. S.; Tossa, J.

We investigate in this paper the Landau-Lifshitz energy distribution in the framework of f(T) theory view as a modified version of Teleparallel theory. From some important Teleparallel theory results on the localization of energy, our investigations generalize the Landau-Lifshitz prescription from the computation of the energy-momentum complex to the framework of f(T) gravity as it is done in the modified versions of General Relativity. We compute the energy density in the first step for three plane-symmetric metrics in vacuum. We find for the second metric that the energy density vanishes independently of f(T) models. We find that the Teleparallel Landau-Lifshitz energy-momentum complex formulations for these metrics are different from those obtained in General Relativity for the same metrics. Second, the calculations are performed for the cosmic string spacetime metric. It results that the energy distribution depends on the mass M and the radius r of cosmic string and it is strongly affected by the parameter of the considered quadratic and cubic f(T) models. Our investigation with this metric induces interesting results susceptible to be tested with some astrophysics hypothesis.

Plane Transformations in a Complex Setting II: Isometries

ERIC Educational Resources Information Center

Dana-Picard, Thierry

2007-01-01

This paper is the second part of a study of plane transformations using a complex setting. The first part was devoted to homotheties and translations, now attention is turned towards plane isometries. The group theoretic properties of plane isometries are easy to derive and images of classical geometrical objects by these transformations are…

Quantum damped oscillator II: Bateman’s Hamiltonian vs. 2D parabolic potential barrier

NASA Astrophysics Data System (ADS)

Chruściński, Dariusz

2006-04-01

We show that quantum Bateman’s system which arises in the quantization of a damped harmonic oscillator is equivalent to a quantum problem with 2D parabolic potential barrier known also as 2D inverted isotropic oscillator. It turns out that this system displays the family of complex eigenvalues corresponding to the poles of analytical continuation of the resolvent operator to the complex energy plane. It is shown that this representation is more suitable than the hyperbolic one used recently by Blasone and Jizba.

Energy Transfer in Turbulence under Rotation

NASA Astrophysics Data System (ADS)

Aluie, Hussein; Buzzicotti, Michele; Biferale, Luca; Linkmann, Moritz

2017-11-01

It is known that rapidly rotating turbulent flows are characterized by the emergence of simultaneous direct and inverse energy cascades. However, the organization of interactions which leads to this complex dynamics remains unclear. Two different mechanisms are known to be able to transfer energy upscale in a turbulent flow: (i) 2-dimensional interactions amongst triads lying on the 2D3C (or slow) manifold, and (ii) purely 3-dimensional interactions between a sub-set of triads with the same sign of helicity (homo-chiral). Here, we perform a numerical study of high Reynolds rotating flows by means of direct numerical simulations (DNS), in different parameter regimes to highlight both forward and inverse cascade regimes. We find that the inverse cascade at wavenumbers close to the forcing scale is generated by the dominance of homo-chiral interactions which couple the 3-dimensional bulk and the 2D3C plane. This coupling produces an accumulation of energy in the 2D3C plane, which then transfers energy to smaller wavenumbers thanks to a 2-dimensional mechanism. We further analyze the energy transfer that occurs in different regions in the real-space domain. In particular we distinguish high strain from high vorticity regions and quantify their contributions to the cascade.

Trajectories of electrons with large longitudinal momenta in the phase plane during surfatron acceleration by an electromagnetic wave

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mkrtichyan, G. S., E-mail: hay-13@mail.ru

2015-07-15

The trajectories of electrons with large longitudinal momenta in the phase plane in the course of their surfatron acceleration by an electromagnetic wave propagating in space plasma across the external magnetic field are analyzed. Electrons with large longitudinal momenta are trapped immediately if the initial wave phase Ψ(0) on the particle trajectory is positive. For negative values of Ψ(0), no electrons trapping by the wave is observed over the available computational times. According to numerical calculations, the trajectories of trapped particles in the phase plane have a singular point of the stable focus type and the behavior of the trajectorymore » corresponds to the motion in a complex nonstationary effective potential well. For some initial phases, electrons are confined in the region of the accelerating electric field for relatively short time, the energy gain being about 50–130% and more.« less

On deformation of complex continuum immersed in a plane space

NASA Astrophysics Data System (ADS)

Kovalev, V. A.; Murashkin, E. V.; Radayev, Y. N.

2018-05-01

The present paper is devoted to mathematical modelling of complex continua deformations considered as immersed in an external plane space. The complex continuum is defined as a differential manifold supplied with metrics induced by the external space. A systematic derivation of strain tensors by notion of isometric immersion of the complex continuum into a plane space of a higher dimension is proposed. Problem of establishing complete systems of irreducible objective strain and extrastrain tensors for complex continuum immersed in an external plane space is resolved. The solution to the problem is obtained by methods of the field theory and the theory of rational algebraic invariants. Strain tensors of the complex continuum are derived as irreducible algebraic invariants of contravariant vectors of the external space emerging as functional arguments in the complex continuum action density. Present analysis is restricted to rational algebraic invariants. Completeness of the considered systems of rational algebraic invariants is established for micropolar elastic continua. Rational syzygies for non-quadratic invariants are discussed. Objective strain tensors (indifferent to frame rotations in the external plane space) for micropolar continuum are alternatively obtained by properly combining multipliers of polar decompositions of deformation and extra-deformation gradients. The latter is realized only for continua immersed in a plane space of the equal mathematical dimension.

T-L Plane Abstraction-Based Energy-Efficient Real-Time Scheduling for Multi-Core Wireless Sensors

PubMed Central

Kim, Youngmin; Lee, Ki-Seong; Pham, Ngoc-Son; Lee, Sun-Ro; Lee, Chan-Gun

2016-01-01

Energy efficiency is considered as a critical requirement for wireless sensor networks. As more wireless sensor nodes are equipped with multi-cores, there are emerging needs for energy-efficient real-time scheduling algorithms. The T-L plane-based scheme is known to be an optimal global scheduling technique for periodic real-time tasks on multi-cores. Unfortunately, there has been a scarcity of studies on extending T-L plane-based scheduling algorithms to exploit energy-saving techniques. In this paper, we propose a new T-L plane-based algorithm enabling energy-efficient real-time scheduling on multi-core sensor nodes with dynamic power management (DPM). Our approach addresses the overhead of processor mode transitions and reduces fragmentations of the idle time, which are inherent in T-L plane-based algorithms. Our experimental results show the effectiveness of the proposed algorithm compared to other energy-aware scheduling methods on T-L plane abstraction. PMID:27399722

Spectroscopic study on deuterated benzenes. III. Vibronic structure and dynamics in the S1 state

NASA Astrophysics Data System (ADS)

Kunishige, Sachi; Katori, Toshiharu; Kawabata, Megumi; Yamanaka, Takaya; Baba, Masaaki

2015-12-01

We observed the fluorescence excitation spectra and mass-selected resonance enhanced multiphoton ionization (REMPI) excitation spectra for the 6 01 , 6 01 10 1 , and 6 01 10 2 bands of the S1←S0 transition of jet-cooled deuterated benzene and assigned the vibronic bands of C6D6 and C6HD5. The 60 1 10 n (n = 0, 1, 2) and 00 0 transition energies were found to be dependent only on the number of D atoms (ND), which was reflected by the zero-point energy of each H/D isotopomer. In some isotopomers some bands, such as those of out-of-plane vibrations mixed with 611n, make the spectra complex. These included the 611021n level or combination bands with ν12 which are allowed because of reduced molecular symmetry. From the lifetime measurements of each vibronic band, some enhancement of the nonradiative intramolecular vibrational redistribution (IVR) process was observed. It was also found that the threshold excess energy of "channel three" was higher than the 6112 levels, which were similar for all the H/D isotopomers. We suggest that the channel three nonradiative process could be caused mainly by in-plane processes such as IVR and internal conversion at the high vibrational levels in the S1 state of benzene, although the out-of-plane vibrations might contribute to some degree.

PHD TUTORIAL: A complete numerical approach to electron hydrogen collisions

NASA Astrophysics Data System (ADS)

Bartlett, Philip L.

2006-11-01

This tutorial presents an extensive computational study of electron-impact scattering and ionization of atomic hydrogen and hydrogenic ions, through the solution of the non-relativistic Schrödinger equation in coordinate space using propagating exterior complex scaling (PECS). It details the complete numerical and computational development of the PECS method, which enables highly computationally-efficient solution of these collision systems. Benchmark results are presented for a complete range of electron-hydrogen collisions, including discrete elastic and inelastic scattering both below and above the ionization threshold energy, very low-energy ionizing collisions through to moderately high-energy ionizing collisions, ground-state and excited-state targets and charged hydrogenic targets with Z <= 4. Total ionization cross sections through to fully differential cross sections, both in-plane and out-of-plane, are given and are found to be in excellent accord with other state-of-the-art methods and measurements, where available. We also review our recent confirmation (Bartlett and Stelbovics 2004 Phys. Rev. Lett. 93 233201) of the Wannier and related threshold laws for e-H collisions.

Simulation of electron energy loss spectra of nanomaterials with linear-scaling density functional theory

DOE PAGES

Tait, E. W.; Ratcliff, L. E.; Payne, M. C.; ...

2016-04-20

Experimental techniques for electron energy loss spectroscopy (EELS) combine high energy resolution with high spatial resolution. They are therefore powerful tools for investigating the local electronic structure of complex systems such as nanostructures, interfaces and even individual defects. Interpretation of experimental electron energy loss spectra is often challenging and can require theoretical modelling of candidate structures, which themselves may be large and complex, beyond the capabilities of traditional cubic-scaling density functional theory. In this work, we present functionality to compute electron energy loss spectra within the onetep linear-scaling density functional theory code. We first demonstrate that simulated spectra agree withmore » those computed using conventional plane wave pseudopotential methods to a high degree of precision. The ability of onetep to tackle large problems is then exploited to investigate convergence of spectra with respect to supercell size. As a result, we apply the novel functionality to a study of the electron energy loss spectra of defects on the (1 0 1) surface of an anatase slab and determine concentrations of defects which might be experimentally detectable.« less

Spatiotemporal Variability of Turbulence Kinetic Energy Budgets in the Convective Boundary Layer over Both Simple and Complex Terrain

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rai, Raj K.; Berg, Larry K.; Pekour, Mikhail

The assumption of sub-grid scale (SGS) horizontal homogeneity within a model grid cell, which forms the basis of SGS turbulence closures used by mesoscale models, becomes increasingly tenuous as grid spacing is reduced to a few kilometers or less, such as in many emerging high-resolution applications. Herein, we use the turbulence kinetic energy (TKE) budget equation to study the spatio-temporal variability in two types of terrain—complex (Columbia Basin Wind Energy Study [CBWES] site, north-eastern Oregon) and flat (ScaledWind Farm Technologies [SWiFT] site, west Texas) using the Weather Research and Forecasting (WRF) model. In each case six-nested domains (three domains eachmore » for mesoscale and large-eddy simulation [LES]) are used to downscale the horizontal grid spacing from 10 km to 10 m using the WRF model framework. The model output was used to calculate the values of the TKE budget terms in vertical and horizontal planes as well as the averages of grid cells contained in the four quadrants (a quarter area) of the LES domain. The budget terms calculated along the planes and the mean profile of budget terms show larger spatial variability at CBWES site than at the SWiFT site. The contribution of the horizontal derivative of the shear production term to the total production shear was found to be 45% and 15% of the total shear, at the CBWES and SWiFT sites, respectively, indicating that the horizontal derivatives applied in the budget equation should not be ignored in mesoscale model parameterizations, especially for cases with complex terrain with <10 km scale.« less

Not so Complex: Iteration in the Complex Plane

ERIC Educational Resources Information Center

O'Dell, Robin S.

2014-01-01

The simple process of iteration can produce complex and beautiful figures. In this article, Robin O'Dell presents a set of tasks requiring students to use the geometric interpretation of complex number multiplication to construct linear iteration rules. When the outputs are plotted in the complex plane, the graphs trace pleasing designs…

On DESTINY Science Instrument Electrical and Electronics Subsystem Framework

NASA Technical Reports Server (NTRS)

Kizhner, Semion; Benford, Dominic J.; Lauer, Tod R.

2009-01-01

Future space missions are going to require large focal planes with many sensing arrays and hundreds of millions of pixels all read out at high data rates'' . This will place unique demands on the electrical and electronics (EE) subsystem design and it will be critically important to have high technology readiness level (TRL) EE concepts ready to support such missions. One such omission is the Joint Dark Energy Mission (JDEM) charged with making precise measurements of the expansion rate of the universe to reveal vital clues about the nature of dark energy - a hypothetical form of energy that permeates all of space and tends to increase the rate of the expansion. One of three JDEM concept studies - the Dark Energy Space Telescope (DESTINY) was conducted in 2008 at the NASA's Goddard Space Flight Center (GSFC) in Greenbelt, Maryland. This paper presents the EE subsystem framework, which evolved from the DESTINY science instrument study. It describes the main challenges and implementation concepts related to the design of an EE subsystem featuring multiple focal planes populated with dozens of large arrays and millions of pixels. The focal planes are passively cooled to cryogenic temperatures (below 140 K). The sensor mosaic is controlled by a large number of Readout Integrated Circuits and Application Specific Integrated Circuits - the ROICs/ASICs in near proximity to their sensor focal planes. The ASICs, in turn, are serviced by a set of "warm" EE subsystem boxes performing Field Programmable Gate Array (FPGA) based digital signal processing (DSP) computations of complex algorithms, such as sampling-up-the-ramp algorithm (SUTR), over large volumes of fast data streams. The SUTR boxes are supported by the Instrument Control/Command and Data Handling box (ICDH Primary and Backup boxes) for lossless data compression, command and low volume telemetry handling, power conversion and for communications with the spacecraft. The paper outlines how the JDEM DESTINY concept instrument EE subsystem can be built now, a design; which is generally U.S. Government work not protected by U.S. copyright IEEEAC paper # 1429. Version 4. Updated October 19, 2009 applicable to a wide variety of missions using large focal planes with lar ge mosaics of sensors.

Infrared spectroscopy of copper-resveratrol complexes: A joint experimental and theoretical study

NASA Astrophysics Data System (ADS)

Chiavarino, B.; Crestoni, M. E.; Fornarini, S.; Taioli, S.; Mancini, I.; Tosi, P.

2012-07-01

Infrared multiple-photon dissociation spectroscopy has been used to record vibrational spectra of charged copper-resveratrol complexes in the 3500-3700 cm-1 and 1100-1900 cm-1 regions. Minimum energy structures have been determined by density functional theory calculations using plane waves and pseudopotentials. In particular, the copper(I)-resveratrol complex presents a tetra-coordinated metal bound with two carbon atoms of the alkenyl moiety and two closest carbons of the adjoining resorcinol ring. For these geometries vibrational spectra have been calculated by using linear response theory. The good agreement between experimental and calculated IR spectra for the selected species confirms the overall reliability of the proposed geometries.

Complex capacitance in the representation of modulus of the lithium niobate crystals

NASA Astrophysics Data System (ADS)

Alim, Mohammad A.; Batra, A. K.; Bhattacharjee, Sudip; Aggarwal, M. D.

2011-03-01

The lithium niobate (LiNbO 3 or LN) single crystal is grown in-house. The ac small-signal electrical characterization is conducted over a temperature range 35 ≤T≤150 °C as a function of measurement frequency (10 ≤f≤10 6 Hz). Meaningful observation is noted only in a narrow temperature range 59 ≤T≤73 °C. These electrical data when analyzed via complex plane formalisms revealed single semicircular relaxation both in the complex capacitance ( C*) and in the modulus ( M*) planes. The physical meaning of this kind of observation is obtained on identifying the relaxation type, and then incorporating respective equivalent circuit model. The simplistic non-blocking nature of the equivalent circuit model obtained via M*-plane is established as the lumped relaxation is identified in the C*-plane. The feature of the eventual equivalent circuit model allows non-blocking aspect for the LN crystal attributing to the presence of the operative dc conduction process. Identification of this leakage dc conduction via C*-plane is portrayed in the M*-plane where the blocking nature is removed. The interacting interpretation between these two complex planes is successfully presented.

Calculation of Expectation Values of Operators in the Complex Scaling Method

DOE PAGES

Papadimitriou, G.

2016-06-14

In the complex scaling method (CSM) provides with a way to obtain resonance parameters of particle unstable states by rotating the coordinates and momenta of the original Hamiltonian. It is convenient to use an L 2 integrable basis to resolve the complex rotated or complex scaled Hamiltonian H θ , with θ being the angle of rotation in the complex energy plane. Within the CSM, resonance and scattering solutions have fall-off asymptotics. Furthermore, one of the consequences is that, expectation values of operators in a resonance or scattering complex scaled solution are calculated by complex rotating the operators. In thismore » work we are exploring applications of the CSM on calculations of expectation values of quantum mechanical operators by using the regularized backrotation technique and calculating hence the expectation value using the unrotated operator. Moreover, the test cases involve a schematic two-body Gaussian model and also applications using realistic interactions.« less

Study of the Structural Stability in Intermetallics Using Displacive Transformation Paths

NASA Astrophysics Data System (ADS)

Sob, M.; Wang, L. G.; Vitek, V.

1997-03-01

Relative structural stability of TiAl, FeAl, NiAl and NiTi is studied by investigating displacive phase transformation paths. These include the well known tetragonal (Bain's) and trigonal deformation paths which correspond to large homogeneous straining, and also more complex paths that include the shuffling of atomic planes. The results of full-potential APW total energy calculations show that all higher-energy cubic structures studied are locally unstable with respect to some deformation modes. There may or may not be symmetry-dictated energy extrema corresponding to cubic lattices depending on the atomic ordering. However, other energy extrema that are not imposed by symmetry requirements occur along the transformation paths. Configurations corresponding to energy minima may represent metastable structures that can play an important role in interfaces and other extended defects.

Quantum interference between two phonon paths and reduced heat transport in diamond lattice with atomic-scale planar defects

NASA Astrophysics Data System (ADS)

Kosevich, Yu. A.; Strelnikov, I. A.

2018-02-01

Destructive quantum interference between the waves propagating through laterally inhomogeneous layer can result in their total reflection, which in turn reduces energy flux carried by these waves. We consider the systems of Ge atoms, which fully or partly, in the chequer-wise order, fill a crystal plane in diamond-like Si lattice. We have revealed that a single type of the atomic defects, which are placed in identical positions in different unit cells in the defect crystal plane, can result in double transmission antiresonances of phonon wave packets. This new effect we relate with the complex structure of the diamond-like unit cell, which comprises two atoms in different positions and results in two distinct vibration resonances in two interfering phonon paths. We also consider the propagation of phonon wave packets in the superlatticies made of the defect planes, half-filled in the chequer-wise order with Ge atoms. We have revealed relatively broad phonon stop bands with center frequencies at the transmission antiresonances. We elaborate the equivalent analytical quasi-1D lattice model of the two phonon paths through the complex planar defect in the diamond-like lattice and describe the reduction of phonon heat transfer through the atomic-scale planar defects.

Designing the X-Ray Microcalorimeter Spectrometer for Optimal Science Return

NASA Technical Reports Server (NTRS)

Ptak, Andrew; Bandler, Simon R.; Bookbinder, Jay; Kelley, Richard L.; Petre, Robert; Smith, Randall K.; Smith, Stephen

2013-01-01

Recent advances in X-ray microcalorimeters enable a wide range of possible focal plane designs for the X-ray Microcalorimeter Spectrometer (XMS) instrument on the future Advanced X-ray Spectroscopic Imaging Observatory (AXSIO) or X-ray Astrophysics Probe (XAP). Small pixel designs (75 microns) oversample a 5-10" PSF by a factor of 3-6 for a 10 m focal length, enabling observations at both high count rates and high energy resolution. Pixel designs utilizing multiple absorbers attached to single transition-edge sensors can extend the focal plane to cover a significantly larger field of view, albeit at a cost in maximum count rate and energy resolution. Optimizing the science return for a given cost and/or complexity is therefore a non-trivial calculation that includes consideration of issues such as the mission science drivers, likely targets, mirror size, and observing efficiency. We present a range of possible designs taking these factors into account and their impacts on the science return of future large effective-area X-ray spectroscopic missions.

Plane Transformations in a Complex Setting III: Similarities

ERIC Educational Resources Information Center

Dana-Picard, Thierry

2009-01-01

This is the third part of a study of plane transformations described in a complex setting. After the study of homotheties, translations, rotations and reflections, we proceed now to the study of plane similarities, either direct or inverse. Their group theoretical properties are described, and their action on classical geometrical objects is…

Strain-induced alignment and phase behavior of blue phase liquid crystals confined to thin films.

PubMed

Bukusoglu, Emre; Martinez-Gonzalez, Jose A; Wang, Xiaoguang; Zhou, Ye; de Pablo, Juan J; Abbott, Nicholas L

2017-12-06

We report on the influence of surface confinement on the phase behavior and strain-induced alignment of thin films of blue phase liquid crystals (BPs). Confining surfaces comprised of bare glass, dimethyloctadecyl [3-(trimethoxysilyl)propyl] ammonium chloride (DMOAP)-functionalized glass, or polyvinyl alcohol (PVA)-coated glass were used with or without mechanically rubbing to influence the azimuthal anchoring of the BPs. These experiments reveal that confinement can change the phase behavior of the BP films. For example, in experiments performed with rubbed-PVA surfaces, we measured the elastic strain of the BPs to change the isotropic-BPII phase boundary, suppressing formation of BPII for film thicknesses incommensurate with the BPII lattice. In addition, we observed strain-induced alignment of the BPs to exhibit a complex dependence on both the surface chemistry and azimuthal alignment of the BPs. For example, when using bare glass surfaces causing azimuthally degenerate and planar anchoring, BPI oriented with (110) planes of the unit cell parallel to the contacting surfaces for thicknesses below 3 μm but transitioned to an orientation with (200) planes aligned parallel to the contacting surfaces for thicknesses above 4 μm. In contrast, BPI aligned with (110) planes parallel to confining surfaces for all other thicknesses and surface treatments, including bare glass with uniform azimuthal alignment. Complementary simulations based on minimization of the total free energy (Landau-de Gennes formalism) confirmed a thickness-dependent reorientation due to strain of BPI unit cells within a window of surface anchoring energies and in the absence of uniform azimuthal alignment. In contrast to BPI, BPII did not exhibit thickness-dependent orientations but did exhibit orientations that were dependent on the surface chemistry, a result that was also captured in simulations by varying the anchoring energies. Overall, the results in this paper reveal that the orientations assumed by BPs in thin films reflect a complex interplay of surface interactions and elastic energies associated with strain of the BP lattice. The results also provide new principles and methods to control the structure and properties of BP thin films, which may find use in BP-templated material synthesis, and BP-based optical and electronic devices.

Implementing digital holograms to create and measure complex-plane optical fields

NASA Astrophysics Data System (ADS)

Dudley, Angela; Majola, Nombuso; Chetty, Naven; Forbes, Andrew

2016-02-01

The coherent superposition of a Gaussian beam with an optical vortex can be mathematically described to occupy the complex plane. We provide a simple analogy between the mathematics, in the form of the complex plane, and the visual representation of these two superimposed optical fields. We provide detailed instructions as to how one can experimentally produce, measure, and control these fields with the use of digital holograms encoded on a spatial light modulator.

Neutron and gamma-ray energy reconstruction for characterization of special nuclear material

DOE PAGES

Clarke, Shaun D.; Hamel, Michael C.; Di fulvio, Angela; ...

2017-06-30

Characterization of special nuclear material may be performed using energy spectroscopy of either the neutron or gamma-ray emissions from the sample. Gamma-ray spectroscopy can be performed relatively easily using high-resolution semiconductors such as high-purity germanium. Neutron spectroscopy, by contrast, is a complex inverse problem. Here, results are presented for 252Cf and PuBe energy spectra unfolded using a single EJ309 organic scintillator; excellent agreement is observed with the reference spectra. Neutron energy spectroscopy is also possible using a two-plane detector array, whereby time-offlight kinematics can be used. With this system, energy spectra can also be obtained as a function of position.more » Finally, spatial-dependent energy spectra are presented for neutron and gamma-ray sources that are in excellent agreement with expectations.« less

Neutron and gamma-ray energy reconstruction for characterization of special nuclear material

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clarke, Shaun D.; Hamel, Michael C.; Di fulvio, Angela

Characterization of special nuclear material may be performed using energy spectroscopy of either the neutron or gamma-ray emissions from the sample. Gamma-ray spectroscopy can be performed relatively easily using high-resolution semiconductors such as high-purity germanium. Neutron spectroscopy, by contrast, is a complex inverse problem. Here, results are presented for 252Cf and PuBe energy spectra unfolded using a single EJ309 organic scintillator; excellent agreement is observed with the reference spectra. Neutron energy spectroscopy is also possible using a two-plane detector array, whereby time-offlight kinematics can be used. With this system, energy spectra can also be obtained as a function of position.more » Finally, spatial-dependent energy spectra are presented for neutron and gamma-ray sources that are in excellent agreement with expectations.« less

A Research Program on the Asymptotic Description of Electromagnetic Pulse Propagation in Spatially Inhomogeneous Temporally Dispersive, Attenuative Media

DTIC Science & Technology

2007-09-01

the right- half of the complex wo- plane . The Sommerfeld precursor then describes the signal front which arrives at 0 = 1 with...resonance Lorentz model dielectric [18], the complex phase function qO(w, 0) is analytic in the w- plane formed by the two branch cuts in the lower half of... the w,- plane symmetrically located about the imaginary axis. In the right half plane , the branch

Optimal aeroassisted orbital transfer with plane change using collocation and nonlinear programming

NASA Technical Reports Server (NTRS)

Shi, Yun. Y.; Nelson, R. L.; Young, D. H.

1990-01-01

The fuel optimal control problem arising in the non-planar orbital transfer employing aeroassisted technology is addressed. The mission involves the transfer from high energy orbit (HEO) to low energy orbit (LEO) with orbital plane change. The basic strategy here is to employ a combination of propulsive maneuvers in space and aerodynamic maneuvers in the atmosphere. The basic sequence of events for the aeroassisted HEO to LEO transfer consists of three phases. In the first phase, the orbital transfer begins with a deorbit impulse at HEO which injects the vehicle into an elliptic transfer orbit with perigee inside the atmosphere. In the second phase, the vehicle is optimally controlled by lift and bank angle modulations to perform the desired orbital plane change and to satisfy heating constraints. Because of the energy loss during the turn, an impulse is required to initiate the third phase to boost the vehicle back to the desired LEO orbital altitude. The third impulse is then used to circularize the orbit at LEO. The problem is solved by a direct optimization technique which uses piecewise polynomial representation for the state and control variables and collocation to satisfy the differential equations. This technique converts the optimal control problem into a nonlinear programming problem which is solved numerically. Solutions were obtained for cases with and without heat constraints and for cases of different orbital inclination changes. The method appears to be more powerful and robust than other optimization methods. In addition, the method can handle complex dynamical constraints.

Resonance-enhanced two-photon ionization spectroscopy and theoretical calculations of 3,5-difluoroanisole and its Ar-containing complex.

PubMed

Zhang, Lijuan; Dong, Changwu; Cheng, Min; Hu, Lili; Du, Yikui; Zhu, Qihe; Zhang, Cunhao

2012-10-01

The structure and vibrations of 3,5-difluoroanisole (3,5-DFA) in the first electronically excited (S(1)) state were studied by mass-analyzed resonant two-photon ionization (R2PI) technique as well as the quantum chemical calculations. The ab initio and density functional theory (DFT) calculations reveal that only one structure is stable for each of the S(0), S(1), and D(0) states. In the one color R2PI spectrum, the band origin of the S(1)←S(0) electronic transition (0(0) band) of 3,5-DFA is found to be 37,595±3 cm(-1). In the S(1) state, most of the bands observed are related to the in-plane ring deformation and out-of-plane bending vibrations. The adiabatic ionization energy (IE) of 3,5-DFA is determined to be 70,096±15 cm(-1) by the two color R2PI technique, in agreement with the values predicted by the DFT approaches. The dihalogen-substitution effects on the molecular structure, vibrational frequencies, and electronic transition and ionization energies were discussed in detail. The van der Waals complex of 3,5-DFA with argon (3,5-DFA···Ar) was also observed and studied. The 0(0) band of 3,5-DFA···Ar complex is red-shifted by about 9 cm(-1) with respect to that of 3,5-DFA. Both the experimental data and the calculated results indicate that the formation of 3,5-DFA···Ar complex gives only a weak influence on the properties of 3,5-DFA moiety. Copyright © 2012 Elsevier B.V. All rights reserved.

Wigner-Hough/Radon Transform for GPS Post-Correlation Integration (Preprint)

DTIC Science & Technology

2007-09-01

Wigner - Ville distribution ( WVD ) is a well known method to estimate instantaneous frequency, which appears as a...Barbarossa, 1996]. In this method, the Wigner - Ville distribution ( WVD ) is used to represent the signal energy in the time-frequency plane while the...its Wigner - Ville 4 distribution or WVD is computed as: ∫ +∞ ∞− −−+= τττ τπ detxtxftW fj 2* ) 2 () 2 (),( (4) where * stands for complex

Comparison of 2D Finite Element Modeling Assumptions with Results From 3D Analysis for Composite Skin-Stiffener Debonding

NASA Technical Reports Server (NTRS)

Krueger, Ronald; Paris, Isbelle L.; OBrien, T. Kevin; Minguet, Pierre J.

2004-01-01

The influence of two-dimensional finite element modeling assumptions on the debonding prediction for skin-stiffener specimens was investigated. Geometrically nonlinear finite element analyses using two-dimensional plane-stress and plane-strain elements as well as three different generalized plane strain type approaches were performed. The computed skin and flange strains, transverse tensile stresses and energy release rates were compared to results obtained from three-dimensional simulations. The study showed that for strains and energy release rate computations the generalized plane strain assumptions yielded results closest to the full three-dimensional analysis. For computed transverse tensile stresses the plane stress assumption gave the best agreement. Based on this study it is recommended that results from plane stress and plane strain models be used as upper and lower bounds. The results from generalized plane strain models fall between the results obtained from plane stress and plane strain models. Two-dimensional models may also be used to qualitatively evaluate the stress distribution in a ply and the variation of energy release rates and mixed mode ratios with delamination length. For more accurate predictions, however, a three-dimensional analysis is required.

Influence of 2D Finite Element Modeling Assumptions on Debonding Prediction for Composite Skin-stiffener Specimens Subjected to Tension and Bending

NASA Technical Reports Server (NTRS)

Krueger, Ronald; Minguet, Pierre J.; Bushnell, Dennis M. (Technical Monitor)

2002-01-01

The influence of two-dimensional finite element modeling assumptions on the debonding prediction for skin-stiffener specimens was investigated. Geometrically nonlinear finite element analyses using two-dimensional plane-stress and plane strain elements as well as three different generalized plane strain type approaches were performed. The computed deflections, skin and flange strains, transverse tensile stresses and energy release rates were compared to results obtained from three-dimensional simulations. The study showed that for strains and energy release rate computations the generalized plane strain assumptions yielded results closest to the full three-dimensional analysis. For computed transverse tensile stresses the plane stress assumption gave the best agreement. Based on this study it is recommended that results from plane stress and plane strain models be used as upper and lower bounds. The results from generalized plane strain models fall between the results obtained from plane stress and plane strain models. Two-dimensional models may also be used to qualitatively evaluate the stress distribution in a ply and the variation of energy release rates and mixed mode ratios with lamination length. For more accurate predictions, however, a three-dimensional analysis is required.

Fine structure of the landers fault zone: Segmentation and the rupture process

USGS Publications Warehouse

Li, Y.-G.; Vidale, J.E.; Aki, K.; Marone, C.J.; Lee, W.H.K.

1994-01-01

Observations and modeling of 3- to 6-hertz seismic shear waves trapped within the fault zone of the 1992 Landers earthquake series allow the fine structure and continuity of the zone to be evaluated. The fault, to a depth of at least 12 kilometers, is marked by a zone 100 to 200 meters wide where shear velocity is reduced by 30 to 50 percent. This zone forms a seismic waveguide that extends along the southern 30 kilometers of the Landers rupture surface and ends at the fault bend about 18 kilometers north of the main shock epicenter. Another fault plane waveguide, disconnected from the first, exists along the northern rupture surface. These observations, in conjunction with surface slip, detailed seismicity patterns, and the progression of rupture along the fault, suggest that several simple rupture planes were involved in the Landers earthquake and that the inferred rupture front hesitated or slowed at the location where the rupture jumped from one to the next plane. Reduction in rupture velocity can tentatively be attributed to fault plane complexity, and variations in moment release can be attributed to variations in available energy.

Curvature and temperature of complex networks.

PubMed

Krioukov, Dmitri; Papadopoulos, Fragkiskos; Vahdat, Amin; Boguñá, Marián

2009-09-01

We show that heterogeneous degree distributions in observed scale-free topologies of complex networks can emerge as a consequence of the exponential expansion of hidden hyperbolic space. Fermi-Dirac statistics provides a physical interpretation of hyperbolic distances as energies of links. The hidden space curvature affects the heterogeneity of the degree distribution, while clustering is a function of temperature. We embed the internet into the hyperbolic plane and find a remarkable congruency between the embedding and our hyperbolic model. Besides proving our model realistic, this embedding may be used for routing with only local information, which holds significant promise for improving the performance of internet routing.

Energy transfer of highly vibrationally excited biphenyl.

PubMed

Hsu, Hsu Chen; Dyakov, Yuri; Ni, Chi-Kung

2010-11-07

The energy transfer between Kr atoms and highly vibrationally excited, rotationally cold biphenyl in the triplet state was investigated using crossed-beam/time-of-flight mass spectrometer/time-sliced velocity map ion imaging techniques. Compared to the energy transfer of naphthalene, energy transfer of biphenyl shows more forward scattering, less complex formation, larger cross section for vibrational to translational (V→T) energy transfer, smaller cross section for translational to vibrational and rotational (T→VR) energy transfer, larger total collisional cross section, and more energy transferred from vibration to translation. Significant increase in the large V→T energy transfer probabilities, termed supercollisions, was observed. The difference in the energy transfer of highly vibrationally excited molecules between rotationally cold naphthalene and rotationally cold biphenyl is very similar to the difference in the energy transfer of highly vibrationally excited molecules between rotationally cold naphthalene and rotationally hot naphthalene. The low-frequency vibrational modes with out-of-plane motion and rotationlike wide-angle motion are attributed to make the energy transfer of biphenyl different from that of naphthalene.

Secondary motion in three-dimensional branching networks

NASA Astrophysics Data System (ADS)

Guha, Abhijit; Pradhan, Kaustav

2017-06-01

A major aim of the present work is to understand and thoroughly document the generation, the three-dimensional distribution, and the evolution of the secondary motion as the fluid progresses downstream through a branched network. Six generations (G0-G5) of branches (involving 63 straight portions and 31 bifurcation modules) are computed in one go; such computational challenges are rarely taken in the literature. More than 30 × 106 computational elements are employed for high precision of computed results and fine quality of the flow visualization diagrams. The study of co-planar vis-à-vis non-planar space-filling configurations establishes a quantitative evaluation of the dependence of the fluid dynamics on the three-dimensional arrangement of the same individual branches. As compared to the secondary motion in a simple curved pipe, three distinctive features, viz., the change of shape and size of the flow-cross-section, the division of non-uniform primary flow in a bifurcation module, and repeated switchover from clockwise to anticlockwise curvature and vice versa in the flow path, make the present situation more complex. It is shown that the straight portions in the network, in general, attenuate the secondary motion, while the three-dimensionally complex bifurcation modules generate secondary motion and may alter the number, arrangement, and structure of vortices. A comprehensive picture of the evolution of quantitative flow visualizations of the secondary motion is achieved by constructing contours of secondary velocity | v → S | , streamwise vorticity ω S , and λ 2 iso-surfaces. It is demonstrated, for example, that for in-plane configuration, the vortices on any plane appear in pair (i.e., for each clockwise rotating vortex, there is an otherwise identical anticlockwise vortex), whereas the vortices on a plane for the out-of-plane configuration may be dissimilar, and there may even be an odd number of vortices. We have formulated three new parameters (ES/P, δ S F , and δ G n ) for a quantitative description of the overall features of the secondary flow field. δ S F represents a non-uniformity index of the secondary flow in an individual branch, ES/P represents the mass-flow-averaged relative kinetic energy of the secondary motion in an individual branch, and δ G n provides a measure of the non-uniformity of the secondary flow between various branches of the same generation Gn. The repeated enhancement of the secondary kinetic energy in the bifurcation modules is responsible for the occurrence of significant values of ES/P even in generation G5. For both configurations, it is found that for any bifurcation module, the value of ES/P is greater in that daughter branch in which the mass-flow rate is greater. Even though the various contour plots of the complex secondary flow structure appear visually very different from one another, the values of δ S F are found to lie within a small range ( 0.37 ≤ δ S F ≤ 0.66 ) for the six-generation networks studied. It is shown that δ G n grows as the generation number Gn increases. It is established that the out-of-plane configuration, in general, creates more secondary kinetic energy (higher ES/P), a similar level of non-uniformity in the secondary flow in an individual branch (similar δ S F ), and a significantly lower level of non-uniformity in the distribution of secondary motion among various branches of the same generation (much lower δ G n ), as compared to the in-plane arrangement of the same branches.

Secondary motion in three-dimensional branching networks

PubMed Central

Guha, Abhijit; Pradhan, Kaustav

2017-01-01

A major aim of the present work is to understand and thoroughly document the generation, the three-dimensional distribution, and the evolution of the secondary motion as the fluid progresses downstream through a branched network. Six generations (G0-G5) of branches (involving 63 straight portions and 31 bifurcation modules) are computed in one go; such computational challenges are rarely taken in the literature. More than 30 × 106 computational elements are employed for high precision of computed results and fine quality of the flow visualization diagrams. The study of co-planar vis-à-vis non-planar space-filling configurations establishes a quantitative evaluation of the dependence of the fluid dynamics on the three-dimensional arrangement of the same individual branches. As compared to the secondary motion in a simple curved pipe, three distinctive features, viz., the change of shape and size of the flow-cross-section, the division of non-uniform primary flow in a bifurcation module, and repeated switchover from clockwise to anticlockwise curvature and vice versa in the flow path, make the present situation more complex. It is shown that the straight portions in the network, in general, attenuate the secondary motion, while the three-dimensionally complex bifurcation modules generate secondary motion and may alter the number, arrangement, and structure of vortices. A comprehensive picture of the evolution of quantitative flow visualizations of the secondary motion is achieved by constructing contours of secondary velocity v→S, streamwise vorticity ωS, and λ2 iso-surfaces. It is demonstrated, for example, that for in-plane configuration, the vortices on any plane appear in pair (i.e., for each clockwise rotating vortex, there is an otherwise identical anticlockwise vortex), whereas the vortices on a plane for the out-of-plane configuration may be dissimilar, and there may even be an odd number of vortices. We have formulated three new parameters (ES/P, δSF, and δGn) for a quantitative description of the overall features of the secondary flow field. δSF represents a non-uniformity index of the secondary flow in an individual branch, ES/P represents the mass-flow-averaged relative kinetic energy of the secondary motion in an individual branch, and δGn provides a measure of the non-uniformity of the secondary flow between various branches of the same generation Gn. The repeated enhancement of the secondary kinetic energy in the bifurcation modules is responsible for the occurrence of significant values of ES/P even in generation G5. For both configurations, it is found that for any bifurcation module, the value of ES/P is greater in that daughter branch in which the mass-flow rate is greater. Even though the various contour plots of the complex secondary flow structure appear visually very different from one another, the values of δSF are found to lie within a small range (0.37≤δSF≤0.66) for the six-generation networks studied. It is shown that δGn grows as the generation number Gn increases. It is established that the out-of-plane configuration, in general, creates more secondary kinetic energy (higher ES/P), a similar level of non-uniformity in the secondary flow in an individual branch (similar δSF), and a significantly lower level of non-uniformity in the distribution of secondary motion among various branches of the same generation (much lower δGn), as compared to the in-plane arrangement of the same branches. PMID:28713213

Nature of the water/aromatic parallel alignment interactions.

PubMed

Mitoraj, Mariusz P; Janjić, Goran V; Medaković, Vesna B; Veljković, Dušan Ž; Michalak, Artur; Zarić, Snežana D; Milčić, Miloš K

2015-01-30

The water/aromatic parallel alignment interactions are interactions where the water molecule or one of its O-H bonds is parallel to the aromatic ring plane. The calculated energies of the interactions are significant, up to ΔE(CCSD)(T)(limit) = -2.45 kcal mol(-1) at large horizontal displacement, out of benzene ring and CH bond region. These interactions are stronger than CH···O water/benzene interactions, but weaker than OH···π interactions. To investigate the nature of water/aromatic parallel alignment interactions, energy decomposition methods, symmetry-adapted perturbation theory, and extended transition state-natural orbitals for chemical valence (NOCV), were used. The calculations have shown that, for the complexes at large horizontal displacements, major contribution to interaction energy comes from electrostatic interactions between monomers, and for the complexes at small horizontal displacements, dispersion interactions are dominant binding force. The NOCV-based analysis has shown that in structures with strong interaction energies charge transfer of the type π → σ*(O-H) between the monomers also exists. © 2014 Wiley Periodicals, Inc.

Constructing the spectral web of rotating plasmas

NASA Astrophysics Data System (ADS)

Goedbloed, Hans

2012-10-01

Rotating plasmas are ubiquitous in nature. The theory of MHD stability of such plasmas, initiated a long time ago, has severely suffered from the wide spread misunderstanding that it necessarily involves non-self-adjoint operators. It has been shown (J.P. Goedbloed, PPCF 16, 074001, 2011; Goedbloed, Keppens and Poedts, Advanced Magnetohydrodynamics, Cambridge, 2010) that, on the contrary, spectral theory of moving plasmas can be constructed entirely on the basis of energy conservation and self-adjointness of the occurring operators. The spectral web is a further development along this line. It involves the construction of a network of curves in the complex omega-plane associated with the complex complementary energy, which is the energy needed to maintain harmonic time dependence in an open system. Vanishing of that energy, at the intersections of the mentioned curves, yields the eigenvalues of the closed system. This permits to consider the enormous diversity of MHD instabilities of rotating tokamaks, accretion disks about compact objects, and jets emitted from those objects, from a single view point. This will be illustrated with results obtained with a new spectral code (ROC).

Orientations of dendritic growth during solidification

NASA Astrophysics Data System (ADS)

Lee, Dong Nyung

2017-03-01

Dendrites are crystalline forms which grow far from the limit of stability of the plane front and adopt an orientation which is as close as possible to the heat flux direction. Dendritic growth orientations for cubic metals, bct Sn, and hcp Zn, can be controlled by thermal conductivity, Young's modulus, and surface energy. The control factors have been elaborated. Since the dendrite is a single crystal, its properties such as thermal conductivity that influences the heat flux direction, the minimum Young's modulus direction that influences the strain energy minimization, and the minimum surface energy plane that influences the crystal/liquid interface energy minimization have been proved to control the dendritic growth direction. The dendritic growth directions of cubic metals are determined by the minimum Young's modulus direction and/or axis direction of symmetry of the minimum crystal surface energy plane. The dendritic growth direction of bct Sn is determined by its maximum thermal conductivity direction and the minimum surface energy plane normal direction. The primary dendritic growth direction of hcp Zn is determined by its maximum thermal conductivity direction and the minimum surface energy plane normal direction and the secondary dendrite arm direction of hcp Zn is normal to the primary dendritic growth direction.

SPQR - Spectroscopy: Prospects, Questions & Results

NASA Astrophysics Data System (ADS)

Pennington, M. R.

2014-06-01

Tremendous progress has been made in mapping out the spectrum of hadrons over the past decade with plans to make further advances in the decade ahead. Baryons and mesons, both expected and unexpected, have been found, the results of precision experiments often with polarized beams, polarized targets and sometimes polarization of the final states. All these hadrons generate poles in the complex energy plane that are consequences of the strong coupling regime of QCD. They reveal how this works.

The craniofacial complex in 47, XXX females.

PubMed

Krusinskiene, Viktorija; Krusinskie, Viktorija; Alvesalo, Lassi; Sidlauskas, Antanas

2005-08-01

A study of the craniofacial complex in four 47, XXX Finnish females, or females with an extra X chromosome, was carried out using cephalometric analysis comprising linear and angular measurements. The lengths of the anterior and posterior cranial bases, the calvarium, mandibular ramus and posterior and upper anterior face heights were found to be significantly shorter than in female controls, while the angles between the foraminal and clival planes, the mandibular plane and cranial base, the maxillary and occlusal planes, the maxillary and mandibular planes and the foraminal and mandibular planes, and also the gonial angle, were significantly enlarged. The present findings of reduced linear measurements, together with the results of studies on the craniofacial complex of 47, XXY and 47, XYY males, suggest dimensional variation between these groups from the promoting effect of an extra Y chromosome and the retarding effect of an extra X chromosome on craniofacial growth.

Sun light European Project

NASA Astrophysics Data System (ADS)

Soubielle, Marie-Laure

2015-04-01

2015 has been declared the year of light. Sunlight plays a major role in the world. From the sunbeams that heat our planet and feed our plants to the optical analysis of the sun or the modern use of sun particles in technologies, sunlight is everywhere and it is vital. This project aims to understand better the light of the Sun in a variety of fields. The experiments are carried out by students aged 15 to 20 in order to share their discoveries with Italian students from primary and secondary schools. The experiments will also be presented to a group of Danish students visiting our school in January. All experiments are carried out in English and involve teams of teachers. This project is 3 folds: part 1: Biological project = what are the mechanisms of photosynthesis? part 2: Optical project= what are the components of sunlight and how to use it? part 3: Technical project= how to use the energy of sunlight for modern devices? Photosynthesis project Biology and English Context:Photosynthesis is a process used by plants and other organisms to convert light energy, normally from the Sun, into chemical energy that can later fuel the organisms' activities. This chemical energy is stored in molecules which are synthesized from carbon dioxide and water. In most cases, oxygen is released as a waste product. Most plants perform photosynthesis. Photosynthesis maintains atmospheric oxygen levels and supplies all of the organic compounds and most of the energy necessary for life on Earth. Outcome: Our project consists in understanding the various steps of photosynthesis. Students will shoot a DVD of the experiments presenting the equipments required, the steps of the experiments and the results they have obtained for a better understanding of photosynthesis Digital pen project Electricity, Optics and English Context: Sunlight is a complex source of light based on white light that can be decomposed to explain light radiations or colours. This light is a precious source to create innovative devices. Outcome: In this project students will carry out various experiments to have a better optical understanding of sunlight. They will shoot tutorials and use these experiments to make a digital pen. Solar Impulse Project Model aircraft Technology, Electricity and English project Context : Solar Impulse is a solar plane that flew around the world with no stop using only the energy of the solar cells situated on its wings. The plane only requires an external source energy for take off unlike gliders. The pilot in the cockpit is one of the conception engineers. The plane can store enough energy for an 8-hour night flight. Outcome : This project will create a tutorial and a model aircraft of the plane Solar Impulse with solar cells providing energy for 4 engines, batteries, LED lighting and a tension reader. This plane will not fly.

Optimal Chebyshev polynomials on ellipses in the complex plane

NASA Technical Reports Server (NTRS)

Fischer, Bernd; Freund, Roland

1989-01-01

The design of iterative schemes for sparse matrix computations often leads to constrained polynomial approximation problems on sets in the complex plane. For the case of ellipses, we introduce a new class of complex polynomials which are in general very good approximations to the best polynomials and even optimal in most cases.

Local sharpening and subspace wavefront correction with predictive dynamic digital holography

NASA Astrophysics Data System (ADS)

Sulaiman, Sennan; Gibson, Steve

2017-09-01

Digital holography holds several advantages over conventional imaging and wavefront sensing, chief among these being significantly fewer and simpler optical components and the retrieval of complex field. Consequently, many imaging and sensing applications including microscopy and optical tweezing have turned to using digital holography. A significant obstacle for digital holography in real-time applications, such as wavefront sensing for high energy laser systems and high speed imaging for target racking, is the fact that digital holography is computationally intensive; it requires iterative virtual wavefront propagation and hill-climbing to optimize some sharpness criteria. It has been shown recently that minimum-variance wavefront prediction can be integrated with digital holography and image sharpening to reduce significantly large number of costly sharpening iterations required to achieve near-optimal wavefront correction. This paper demonstrates further gains in computational efficiency with localized sharpening in conjunction with predictive dynamic digital holography for real-time applications. The method optimizes sharpness of local regions in a detector plane by parallel independent wavefront correction on reduced-dimension subspaces of the complex field in a spectral plane.

Symmetry blockade and its breakdown in energy equipartition of square graphene resonators

NASA Astrophysics Data System (ADS)

Wang, Yisen; Zhu, Zhigang; Zhang, Yong; Huang, Liang

2018-03-01

The interaction between flexural modes due to nonlinear potentials is critical to heat conductivity and mechanical vibration of two dimensional materials such as graphene. Much effort has been devoted to understanding the underlying mechanism. In this paper, we examine solely the out-of-plane flexural modes and identify their energy flow pathway during the equipartition process. In particular, the modes are grouped into four classes by their distinct symmetries. The couplings are significantly larger within a class than between classes, forming symmetry blockades. As a result, the energy first flows to the modes in the same symmetry class. Breakdown of the symmetry blockade, i.e., inter-class energy flow, starts when the displacement profile becomes complex and the inter-class couplings bear nonneglectable values. The equipartition time follows the stretched exponential law and survives in the thermodynamic limit. These results bring fundamental understandings to the Fermi-Pasta-Ulam problem in two dimensional systems with complex potentials and reveal clearly the physical picture of dynamical interactions between the flexural modes, which will be crucial to the understanding of their contribution in high thermal conductivity and mechanism of energy dissipation that may intrinsically limit the quality factor of the resonator.

Progress in turbulence modeling for complex flow fields including effects of compressibility

NASA Technical Reports Server (NTRS)

Wilcox, D. C.; Rubesin, M. W.

1980-01-01

Two second-order-closure turbulence models were devised that are suitable for predicting properties of complex turbulent flow fields in both incompressible and compressible fluids. One model is of the "two-equation" variety in which closure is accomplished by introducing an eddy viscosity which depends on both a turbulent mixing energy and a dissipation rate per unit energy, that is, a specific dissipation rate. The other model is a "Reynolds stress equation" (RSE) formulation in which all components of the Reynolds stress tensor and turbulent heat-flux vector are computed directly and are scaled by the specific dissipation rate. Computations based on these models are compared with measurements for the following flow fields: (a) low speed, high Reynolds number channel flows with plane strain or uniform shear; (b) equilibrium turbulent boundary layers with and without pressure gradients or effects of compressibility; and (c) flow over a convex surface with and without a pressure gradient.

Rotational study on the van der Waals complex 1-chloro-1,1-difluoroethane-argon.

PubMed

Wang, Juan; Chen, Junhua; Feng, Gang; Xia, Zhining; Gou, Qian

2018-03-15

The rotational spectrum of the van der Waals complex formed between 1-chloro-1,1-difluoroethane and argon has been investigated by using a pulsed jet Fourier transform microwave spectrometer. Only one set of rotational transitions belonging to the lowest energy conformer has been observed and assigned, although theoretical calculations suggest six stable conformers that might be observed. The observed conformer, according to the experimental evidence from two isotopologues ( 35 Cl and 37 Cl), adopts a configuration in which the argon atom is located, close to the CF 2 Cl top, between the CCF and CCCl planes (the dihedral angle ∠ArCCCl is 65.2°). The distance between argon atom and the center of mass of CH 3 CF 2 Cl is 3.949(2) Å. The dissociation energy, with pseudo diatomic approximation, is evaluated to be 2.4kJmol -1 . Copyright © 2017 Elsevier B.V. All rights reserved.

Rotational study on the van der Waals complex 1-chloro-1,1-difluoroethane-argon

NASA Astrophysics Data System (ADS)

Wang, Juan; Chen, Junhua; Feng, Gang; Xia, Zhining; Gou, Qian

2018-03-01

The rotational spectrum of the van der Waals complex formed between 1-chloro-1,1-difluoroethane and argon has been investigated by using a pulsed jet Fourier transform microwave spectrometer. Only one set of rotational transitions belonging to the lowest energy conformer has been observed and assigned, although theoretical calculations suggest six stable conformers that might be observed. The observed conformer, according to the experimental evidence from two isotopologues (35Cl and 37Cl), adopts a configuration in which the argon atom is located, close to the sbnd CF2Cl top, between the CCF and CCCl planes (the dihedral angle ∠ ArCCCl is 65.2°). The distance between argon atom and the center of mass of CH3CF2Cl is 3.949(2) Å. The dissociation energy, with pseudo diatomic approximation, is evaluated to be 2.4 kJ mol- 1.

Coupled-channel model for K ¯ N scattering in the resonant region

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fernández-Ramírez, Cesar; Danilkin, Igor V.; Manley, D. Mark

2016-02-18

Here, we present a unitary multichannel model formore » $$\\bar{K}$$N scattering in the resonance region that fulfills unitarity. It has the correct analytical properties for the amplitudes once they are extended to the complex-$s$ plane and the partial waves have the right threshold behavior. In order to determine the parameters of the model, we have fitted single-energy partial waves up to J = 7/2 and up to 2.15 GeV of energy in the center-of-mass reference frame obtaining the poles of the Λ* and Σ* resonances, which are compared to previous analyses. Furthermore, we provide the most comprehensive picture of the S = –1 hyperon spectrum to date. Here, important differences are found between the available analyses making the gathering of further experimental information on $$\\bar{K}$$N scattering mandatory to make progress in the assessment of the hyperon spectrum.« less

Character of intermolecular interaction in pyridine-argon complex: Ab initio potential energy surface, internal dynamics, and interrelations between SAPT energy components.

PubMed

Makarewicz, Jan; Shirkov, Leonid

2016-05-28

The pyridine-Ar (PAr) van der Waals (vdW) complex is studied using a high level ab initio method. Its structure, binding energy, and intermolecular vibrational states are determined from the analytical potential energy surface constructed from interaction energy (IE) values computed at the coupled cluster level of theory with single, double, and perturbatively included triple excitations with the augmented correlation consistent polarized valence double-ζ (aug-cc-pVDZ) basis set complemented by midbond functions. The structure of the complex at its global minimum with Ar at a distance of 3.509 Å from the pyridine plane and shifted by 0.218 Å from the center of mass towards nitrogen agrees well with the corresponding equilibrium structure derived previously from the rotational spectrum of PAr. The PAr binding energy De of 392 cm(-1) is close to that of 387 cm(-1) calculated earlier at the same ab initio level for the prototypical benzene-Ar (BAr) complex. However, under an extension of the basis set, De for PAr becomes slightly lower than De for BAr. The ab initio vdW vibrational energy levels allow us to estimate the reliability of the methods for the determination of the vdW fundamentals from the rotational spectra. To disclose the character of the intermolecular interaction in PAr, the symmetry-adapted perturbation theory (SAPT) is employed for the analysis of different physical contributions to IE. It is found that SAPT components of IE can be approximately expressed in the binding region by only two of them: the exchange repulsion and dispersion energy. The total induction effect is negligible. The interrelations between various SAPT components found for PAr are fulfilled for a few other complexes involving aromatic molecules and Ar or Ne, which indicates that they are valid for all rare gas (Rg) atoms and aromatics.

An efficient method for the calculation of mean extinction. I - The analyticity of the complex extinction efficiency of homogeneous spheres

NASA Astrophysics Data System (ADS)

Xing, Zhang-Fan; Greenberg, J. M.

1992-11-01

Results of an investigation of the analyticity of the complex extinction efficiency Q-tilde(ext) in different parameter domains are presented. In the size parameter domain, x = omega(a/c), numerical Hilbert transforms are used to study the analyticity properties of Q-tilde(ext) for homogeneous spheres. Q-tilde(ext) is found to be analytic in the entire lower complex x-tilde-plane when the refractive index, m, is fixed as a real constant (pure scattering) or infinity (perfect conductor); poles, however, appear in the left side of the lower complex x-tilde-plane as m becomes complex. The computation of the mean extinction produced by an extended size distribution of particles may be conveniently and accurately approximated using only a few values of the complex extinction evaluated in the complex plane.

Frictionless Contact of Multilayered Composite Half Planes Containing Layers With Complex Eigenvalues

NASA Technical Reports Server (NTRS)

Zhang, Wang; Binienda, Wieslaw K.; Pindera, Marek-Jerzy

1997-01-01

A previously developed local-global stiffness matrix methodology for the response of a composite half plane, arbitrarily layered with isotropic, orthotropic or monoclinic plies, to indentation by a rigid parabolic punch is further extended to accommodate the presence of layers with complex eigenvalues (e.g., honeycomb or piezoelectric layers). First, a generalized plane deformation solution for the displacement field in an orthotropic layer or half plane characterized by complex eigenvalues is obtained using Fourier transforms. A local stiffness matrix in the transform domain is subsequently constructed for this class of layers and half planes, which is then assembled into a global stiffness matrix for the entire multilayered half plane by enforcing continuity conditions along the interfaces. Application of the mixed boundary condition on the top surface of the half plane indented by a rigid punch results in an integral equation for the unknown pressure in the contact region. The integral possesses a divergent kernel which is decomposed into Cauchy-type and regular parts using the asymptotic properties of the local stiffness matrix and a relationship between Fourier and finite Hilbert transform of the contact pressure. The solution of the resulting singular integral equation is obtained using a collocation technique based on the properties of orthogonal polynomials developed by Erdogan and Gupta. Examples are presented that illustrate the important influence of low transverse properties of layers with complex eigenvalues, such as those exhibited by honeycomb, on the load versus contact length response and contact pressure distributions for half planes containing typical composite materials.

Energy Harvesting & Recapture from Human Subjects: Dual-Stage MEMS Cantilever Energy Harvester

DTIC Science & Technology

2015-03-01

15 Figure 5. (a) In-plane overlap-varying capacitive harvester, (b) In-plane gap-closing capacitive harvester, (c) Out -of-plane gap-closing...capacitive harvester, (c) Out -of-plane gap-closing capacitive harvester [1] The two-way arrows in each subpart of Figure 5 indicate the shuttle’s direction...are compatible with other wafer -based technologies. Bismuth Telluride (Bi2Te3), a common Seebeck thermoelectric material, is able to be processed

Links between quantum physics and thought.

PubMed

Robson, Barry

2009-01-01

Quantum mechanics (QM) provides a variety of ideas that can assist in developing Artificial Intelligence for healthcare, and opens the possibility of developing a unified system of Best Practice for inference that will embrace both QM and classical inference. Of particular interest is inference in the hyperbolic-complex plane, the counterpart of the normal i-complex plane of basic QM. There are two reasons. First, QM appears to rotate from i-complex Hilbert space to hyperbolic-complex descriptions when observations are made on wave functions as particles, yielding classical results, and classical laws of probability manipulation (e.g. the law of composition of probabilities) then hold, whereas in the i-complex plane they do not. Second, i-complex Hilbert space is not the whole story in physics. Hyperbolic complex planes arise in extension from the Dirac-Clifford calculus to particle physics, in relativistic correction thereby, and in regard to spinors and twisters. Generalization of these forms resemble grammatical constructions and promote the idea that probability-weighted algebraic elements can be used to hold dimensions of syntactic and semantic meaning. It is also starting to look as though when a solution is reached by an inference system in the hyperbolic-complex, the hyperbolic-imaginary values disappear, while conversely hyperbolic-imaginary values are associated with the un-queried state of a system and goal seeking behavior.

MOS Circuitry Would Detect Low-Energy Charged Particles

NASA Technical Reports Server (NTRS)

Sinha, Mahadeva; Wadsworth, Mark

2003-01-01

Metal oxide semiconductor (MOS) circuits for measuring spatially varying intensities of beams of low-energy charged particles have been developed. These circuits are intended especially for use in measuring fluxes of ions with spatial resolution along the focal planes of mass spectrometers. Unlike prior mass spectrometer focal-plane detectors, these MOS circuits would not be based on ion-induced generation of electrons, and photons; instead, they would be based on direct detection of the electric charges of the ions. Hence, there would be no need for microchannel plates (for ion-to-electron conversion), phosphors (for electron-to-photon conversion), and photodetectors (for final detection) -- components that degrade spatial resolution and contribute to complexity and size. The developmental circuits are based on linear arrays of charge-coupled devices (CCDs) with associated readout circuitry (see figure). They resemble linear CCD photodetector arrays, except that instead of a photodetector, each pixel contains a capacitive charge sensor. The capacitor in each sensor comprises two electrodes (typically made of aluminum) separated by a layer of insulating material. The exposed electrode captures ions and accumulates their electric charges during signal-integration periods.

Atomic-scale study of stacking faults in Zr hydrides and implications on hydride formation.

PubMed

Besson, Remy; Thuinet, L; Louchez, Marc-Antoine

2018-06-25

We performed atomic-scale ab initio calculations to investigate the stacking fault (SF) properties of the metastable zeta-Zr2H zirconium hydride. The effect of H near the SF was found to entail the existence of negative SF energies, showing that the zeta compound is probably unstable with respect to shearing in the basal plane. The effect of temperature on SFs was investigated by means of free energy calculations in the quasiharmonic approximation. This evidenced unexpectedly large temperature effects, confirming the main conclusions drawn at 0 K, in particular the zeta mechanical instability. The complex behaviour of H atoms during the shear process suggested zeta-hcp --> Zr2H[111]-fcc as a plausible shear path leading to an fcc compound with same composition as zeta. Finally, as shown by an analysis based on microelasticity, this Zr2H[111]-fcc intermediate compound may be relevant for better interpreting the currently intricate issue of hydride habit planes in zirconium. © 2018 IOP Publishing Ltd.

Effects of Bifurcations on Aft-Fan Engine Nacelle Noise

NASA Technical Reports Server (NTRS)

Nark, Douglas M.; Farassat, Fereidoun; Pope, D. Stuart; Vatsa, Veer N.

2004-01-01

Aft-fan engine nacelle noise is a significant factor in the increasingly important issue of aircraft community noise. The ability to predict such noise within complex duct geometries is a valuable tool in studying possible noise attenuation methods. A recent example of code development for such predictions is the ducted fan noise propagation and radiation code CDUCT-LaRC. This work focuses on predicting the effects of geometry changes (i.e. bifurcations, pylons) on aft fan noise propagation. Beginning with simplified geometries, calculations show that bifurcations lead to scattering of acoustic energy into higher order modes. In addition, when circumferential mode number and the number of bifurcations are properly commensurate, bifurcations increase the relative importance of the plane wave mode near the exhaust plane of the bypass duct. This is particularly evident when the bypass duct surfaces include acoustic treatment. Calculations involving more complex geometries further illustrate that bifurcations and pylons clearly affect modal content, in both propagation and radiation calculations. Additionally, results show that consideration of acoustic radiation results may provide further insight into acoustic treatment effectiveness for situations in which modal decomposition may not be straightforward. The ability of CDUCT-LaRC to handle complex (non-axisymmetric) multi-block geometries, as well as axially and circumferentially segmented liners, allows investigation into the effects of geometric elements (bifurcations, pylons).

Synthesis and Characterization of Ferromagnetic/Antiferromagnetic Perovskite Oxide Superlattices

NASA Astrophysics Data System (ADS)

Jia, Yue

Perovskite oxides span a diverse range of functional properties such as ferromagnetism, superconductivity, and ferroelectricity, which makes them promising candidate materials for applications such as sensors, energy conversion and data storage devices. With recent advances in thin film deposition techniques, the precise manipulation of atomic layers on the unit cell level make it possible to synthesize epitaxial thin film heterostructures consisting of layers with different properties. The structural compatibility of perovskite oxides allows them to be epitaxially grown in complex heterostructures such as superlattices with a large density of interfaces where the interplay between spin, charge, orbital, and lattice degrees of freedom gives rise to new behaviors. The ferromagnetic (FM)/antiferromagnetic (AF) interface is particularly interesting due to exchange coupling which is not only of interest for fundamental research but also is of great significance for industrial applications. Unlike metallic systems that have been studied for decades with wide ranges of applications in devices such as hard disk drives, thin films of complex metal oxides is a relatively new field. Perovskite oxides show much more diverse functional properties than metals and open new pathways for tailoring propertiestowards specific device applications. Epitaxial La0.7Sr0.3MnO3 (LSMO)/La 0.7Sr0.3FeO3 (LSFO) superlattices serve as model systems to explore the magnetic structure and exchange coupling at perovskite oxide interfaces. Earlier work suggested that (001)-oriented LSMO/LSFO superlattices with compensated AF spins at the interface display spin-flop coupling characterized by perpendicular alignment between the AF spin axes and the FM moments at a sublayer thickness of 6 unit cells (u.c.). Changing the crystallographic orientation of the interface from (001) to (111) introduces changes to factors such as the charge density of each stacking layer, the magnetic iiistructure of the AF layer at the interface, the symmetry of the lattice, and the orbital degeneracy. Therefore, different properties and exchange coupling mechanisms are expected. (111)-oriented LSMO/LSFO superlattices with sublayer thicknesses ranging from 3 to 60 u.c. were synthesized and characterized. Detailed analysis of their structural, electronic, and magnetic properties were performed using synchrotron radiation based resonant x-ray reflectivity, soft x-ray magnetic spectroscopy, and photoemission electron microscopy to explore the effect of sublayer thickness on the magnetic structure and exchange coupling at (111)-oriented perovskite oxide interfaces. Interfacial effects and ultrathin superlattice sublayers can stabilize orientations of the LSFO AF spin axis which differ from that of LSFO films and LSMO/LSFO bilayers. In the ultrathin limit (3 to 6 u.c.), it was found that the AF properties of the LSFO sublayers are preserved with an out-of-plane canting of the AF spin axis, while the FM properties of the LSMO sublayers are significantly depressed. For thicker LSFO layers (> 9 u.c.), the out-of-plane canting of the AF spin axis is only present in superlattices with thick LSMO sublayers. As a result, exchange coupling in the form of spin-flop coupling exists only in superlattices which display both robust ferromagnetism and out-of-plane canting of the AF spin axis. A portion of the AF moments can be reoriented by a moderate external magnetic field through spin-flop coupling with the FM LSMO sublayers that have low magnetocrystalline anisotropy in the (111) plane. The AF order in the spin-flop coupled superlattices was studied using angle-dependent x-ray magnetic linear dichroism. The AF order can be categorized into two types: majority of the AF moments cant out-of-the-plane of the film along the or directions depending on the LSFO layer thickness, while a minority portion lies within the (111) plane in different AF domains. The energy difference between domains with their spin axes along the in-plane or out-of-plane directions is small, and the magnetic order of AF thin films is far ivmore complex than in bulk LSFO. The complex AF structure in these (111)-oriented LSMO/LSFO superlattices illustrates that complex metal oxide heterostructures can serve as fertile ground for discovery of new magnetic phases, which have potential applications in next generation information technology devices.

Dynamical singularities of glassy systems in a quantum quench.

PubMed

Obuchi, Tomoyuki; Takahashi, Kazutaka

2012-11-01

We present a prototype of behavior of glassy systems driven by quantum dynamics in a quenching protocol by analyzing the random energy model in a transverse field. We calculate several types of dynamical quantum amplitude and find a freezing transition at some critical time. The behavior is understood by the partition-function zeros in the complex temperature plane. We discuss the properties of the freezing phase as a dynamical chaotic phase, which are contrasted to those of the spin-glass phase in the static system.

The Muon System of the Daya Bay Reactor Antineutrino Experiment

DOE PAGES

An, F. P.; Hackenburg, R. W.; Brown, R. E.; ...

2014-10-05

The Daya Bay experiment consists of functionally identical antineutrino detectors immersed in pools of ultrapure water in three well-separated underground experimental halls near two nuclear reactor complexes. These pools serve both as shields against natural, low-energy radiation, and as water Cherenkov detectors that efficiently detect cosmic muons using arrays of photomultiplier tubes. Each pool is covered by a plane of resistive plate chambers as an additional means of detecting muons. Design, construction, operation, and performance of these muon detectors are described. (auth)

Torsion-rotation structure and quasi-symmetric-rotor behaviour for the CH3SH asymmetric CH3-bending and C-H stretching bands of E parentage

NASA Astrophysics Data System (ADS)

Lees, R. M.; Xu, Li-Hong; Guislain, B. G.; Reid, E. M.; Twagirayezu, S.; Perry, D. S.; Dawadi, M. B.; Thapaliya, B. P.; Billinghurst, B. E.

2018-01-01

High-resolution Fourier transform spectra of the asymmetric methyl-bending and methyl-stretching bands of CH3SH have been recorded employing synchrotron radiation at the FIR beamline of the Canadian Light Source. Analysis of the torsion-rotation structure and relative intensities has revealed the novel feature that for both bend and stretch the in-plane and out-of-plane modes behave much like a Coriolis-coupled l-doublet pair originating from degenerate E modes of a symmetric top. As the axial angular momentum K increases, the energies of the coupled "l = ±1" modes diverge linearly, with effective Coriolis ζ constants typical for symmetric tops. For the methyl-stretching states, separated at K = 0 by only about 1 cm-1, the assigned sub-bands follow a symmetric top Δ(K - l) = 0 selection rule, with only ΔK = -1 transitions observed to the upper l = -1 in-plane A‧ component and only ΔK = +1 transitions to the lower l = +1 out-of-plane A″ component. The K = 0 separation of the CH3-bending states is larger at 9.1 cm-1 with the l-ordering reversed. Here, both ΔK = +1 and ΔK = -1 transitions are seen for each l-component but with a large difference in relative intensity. Term values for the excited state levels have been fitted to J(J + 1) power-series expansions to obtain substate origins. These have then been fitted to a Fourier model to characterize the torsion-K-rotation energy patterns. For both pairs of vibrational states, the torsional energies display the customary oscillatory behaviour as a function of K and have inverted torsional splittings relative to the ground state. The spectra show numerous perturbations, indicating local resonances with the underlying bath of high torsional levels and vibrational combination and overtone states. The overall structure of the two pairs of bands represents a new regime in which the vibrational energy separations, torsional splittings and shifts due to molecular asymmetry are all of the same order, creating a challenging and complex vibration-torsion-rotation coupling environment.

Complex space monofilar approximation of diffraction currents on a conducting half plane

NASA Technical Reports Server (NTRS)

Lindell, I. V.

1987-01-01

Simple approximation of diffraction surface currents on a conducting half plane, due to an incoming plane wave, is obtained with a line current (monofile) in complex space. When compared to an approximating current at the edge, the diffraction pattern is seen to improve by an order of magnitude for a minimal increase of computation effort. Thus, the inconvient Fresnel integral functions can be avoided for quick calculations of diffracted fields and the accuracy is good in other directions than along the half plane. The method can be applied to general problems involving planar metal edges.

Damped gyroscopic effects and axial-flexural-torsional coupling using spinning finite elements for wind-turbine blades characterization

NASA Astrophysics Data System (ADS)

Velazquez, Antonio; Swartz, R. Andrew

2013-04-01

Renewable energy sources like wind are important technologies, useful to alleviate for the current fossil-fuel crisis. Capturing wind energy in a more efficient way has resulted in the emergence of more sophisticated designs of wind turbines, particularly Horizontal-Axis Wind Turbines (HAWTs). To promote efficiency, traditional finite element methods have been widely used to characterize the aerodynamics of these types of multi-body systems and improve their design. Given their aeroelastic behavior, tapered-swept blades offer the potential to optimize energy capture and decrease fatigue loads. Nevertheless, modeling special complex geometries requires huge computational efforts necessitating tradeoffs between faster computation times at lower cost, and reliability and numerical accuracy. Indeed, the computational cost and the numerical effort invested, using traditional FE methods, to reproduce dependable aerodynamics of these complex-shape beams are sometimes prohibitive. A condensed Spinning Finite Element (SFE) method scheme is presented in this study aimed to alleviate this issue by means of modeling wind-turbine rotor blades properly with tapered-swept cross-section variations of arbitrary order via Lagrangian equations. Axial-flexural-torsional coupling is carried out on axial deformation, torsion, in-plane bending and out-of-plane bending using super-convergent elements. In this study, special attention is paid for the case of damped yaw effects, expressed within the described skew-symmetric damped gyroscopic matrix. Dynamics of the model are analyzed by achieving modal analysis with complex-number eigen-frequencies. By means of mass, damped gyroscopic, and stiffness (axial-flexural-torsional coupling) matrix condensation (order reduction), numerical analysis is carried out for several prototypes with different tapered, swept, and curved variation intensities, and for a practical range of spinning velocities at different rotation angles. A convergence study for the resulting natural frequencies is performed to evaluate the dynamic collateral effects of tapered-swept blade profiles in spinning motion using this new model. Stability analysis in boundary conditions of the postulated model is achieved to test the convergence and integrity of the mathematical model. The proposed framework presumes to be particularly suitable to characterize models with complex-shape cross-sections at low computation cost.

Growth Mode Transition in Complex Oxide Heteroepitaxy: Atomically Resolved Studies

DOE PAGES

Tselev, Alexander; Vasudevan, Rama K.; Gianfrancesco, Anthony G.; ...

2016-04-04

Here we performed investigations of the atomic-scale surface structure of epitaxial La 5/8Ca 3/8MnO 3 thin films as a model system dependent on growth conditions in pulsed laser deposition with emphasis on film growth kinetics. Postdeposition in situ scanning tunneling microscopy was combined with in operando reflective high-energy electron diffraction to monitor the film growth and ex situ X-ray diffraction for structural analysis. We find a correlation between the out-of-plane lattice parameter and both adspecies mobility and height of the Ehrlich–Schwoebel barrier, with mobility of adatoms greater over the cationically stoichiometric terminations. We find that the data suggest that themore » out-of-plane lattice parameter is dependent on the mechanism of epitaxial strain relaxation, which is controlled by the oxidative power of the deposition environment.« less

The complex dynamics of products and its asymptotic properties

PubMed Central

Cristelli, Matthieu; Zaccaria, Andrea; Pietronero, Luciano

2017-01-01

We analyse global export data within the Economic Complexity framework. We couple the new economic dimension Complexity, which captures how sophisticated products are, with an index called logPRODY, a measure of the income of the respective exporters. Products’ aggregate motion is treated as a 2-dimensional dynamical system in the Complexity-logPRODY plane. We find that this motion can be explained by a quantitative model involving the competition on the markets, that can be mapped as a scalar field on the Complexity-logPRODY plane and acts in a way akin to a potential. This explains the movement of products towards areas of the plane in which the competition is higher. We analyse market composition in more detail, finding that for most products it tends, over time, to a characteristic configuration, which depends on the Complexity of the products. This market configuration, which we called asymptotic, is characterized by higher levels of competition. PMID:28520794

Low-Dimensional Oxygen Vacancy Ordering and Diffusion in SrCrO 3$-$δ

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ong, Phuong-Vu; Du, Yingge; Sushko, Peter V.

2017-04-06

We investigate the formation mechanisms of vacancy-ordered phase and collective mass transport in epitaxial SrCrO 3$-$δ films using ab initio simulations within the density functional theory formalism. We show that as concentration of oxygen vacancies (V O’s) increases, they form one-dimensional (1D) chains that feature Cr-centered tetrahedra. Aggregation of these 1D V O-chains results in the formation of (111)-oriented oxygen-deficient planes (V O-planes) and an extended vacancy-ordered phase observed in recent experiments. We discuss atomic scale mechanisms enabling the quasi-2D V O aggregates to expand along and translate across (111) planes. The corresponding lowest activation energy pathways necessarily involve rotationmore » of Cr-centered tetrahedra, which emerges as a universal feature of fast ionic conduction in complex oxides. These findings explain reversible oxidation and reduction in SrCrO 3$-$δ at low-temperatures and provide insights into transient behavior necessary to harness ionic conductive oxides for high performance and low-temperature electrochemical reactors.« less

Barrier scattering with complex-valued quantum trajectories: Taxonomy and analysis of isochrones

DOE Office of Scientific and Technical Information (OSTI.GOV)

David, Julianne K.; Wyatt, Robert E.

2008-03-07

To facilitate the search for isochrones when using complex-valued trajectory methods for quantum barrier scattering calculations, the structure and shape of isochrones in the complex plane were studied. Isochrone segments were categorized based on their distinguishing features, which are shared by each situation studied: High and low energy wave packets, scattering from both thick and thin Gaussian and Eckart barriers of varying height. The characteristic shape of the isochrone is a trifurcated system: Trajectories that transmit the barrier are launched from the lower branch (T), while the middle and upper branches form the segments for reflected trajectories (F and B).more » In addition, a model is presented for the curved section of the lower branch (from which transmitted trajectories are launched), and important features of the complex extension of the initial wave packet are identified.« less

N* resonances from KΛ amplitudes in sliced bins in energy

NASA Astrophysics Data System (ADS)

Anisovich, A. V.; Burkert, V.; Hadžimehmedović, M.; Ireland, D. G.; Klempt, E.; Nikonov, V. A.; Omerović, R.; Sarantsev, A. V.; Stahov, J.; Švarc, A.; Thoma, U.

2017-12-01

The two reactions γ p→ K+Λ and π- p→ K0Λ are analyzed to determine the leading photoproduction multipoles and the pion-induced partial wave amplitudes in slices of the invariant mass. The multipoles and the partial-wave amplitudes are simultaneously fitted in a multichannel Laurent+Pietarinen model (L+P model), which determines the poles in the complex energy plane on the second Riemann sheet close to the physical axes. The results from the L+P fit are compared with the results of an energy-dependent fit based on the Bonn-Gatchina (BnGa) approach. The study confirms the existence of several poles due to nucleon resonances in the region at about 1.9 GeV with quantum numbers JP = 1/2+, 3/2+, 1/2-, 3/2-, 5/2-.

Nanostructured carbon films with oriented graphitic planes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Teo, E. H. T.; Kalish, R.; Kulik, J.

2011-03-21

Nanostructured carbon films with oriented graphitic planes can be deposited by applying energetic carbon bombardment. The present work shows the possibility of structuring graphitic planes perpendicular to the substrate in following two distinct ways: (i) applying sufficiently large carbon energies for deposition at room temperature (E>10 keV), (ii) utilizing much lower energies for deposition at elevated substrate temperatures (T>200 deg. C). High resolution transmission electron microscopy is used to probe the graphitic planes. The alignment achieved at elevated temperatures does not depend on the deposition angle. The data provides insight into the mechanisms leading to the growth of oriented graphiticmore » planes under different conditions.« less

Larger sized wire arrays on 1.5 MA Z-pinch generator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Safronova, A. S., E-mail: alla@unr.edu; Kantsyrev, V. L., E-mail: alla@unr.edu; Weller, M. E., E-mail: alla@unr.edu

Experiments on the UNR Zebra generator with Load Current Multiplier (LCM) allow for implosions of larger sized wire array loads than at standard current of 1 MA. Advantages of larger sized planar wire array implosions include enhanced energy coupling to plasmas, better diagnostic access to observable plasma regions, and more complex geometries of the wire loads. The experiments with larger sized wire arrays were performed on 1.5 MA Zebra with LCM (the anode-cathode gap was 1 cm, which is half the gap used in the standard mode). In particular, larger sized multi-planar wire arrays had two outer wire planes frommore » mid-atomic-number wires to create a global magnetic field (gmf) and plasma flow between them. A modified central plane with a few Al wires at the edges was put in the middle between outer planes to influence gmf and to create Al plasma flow in the perpendicular direction (to the outer arrays plasma flow). Such modified plane has different number of empty slots: it was increased from 6 up to 10, hence increasing the gap inside the middle plane from 4.9 to 7.7 mm, respectively. Such load configuration allows for more independent study of the flows of L-shell mid-atomic-number plasma (between the outer planes) and K-shell Al plasma (which first fills the gap between the edge wires along the middle plane) and their radiation in space and time. We demonstrate that such configuration produces higher linear radiation yield and electron temperatures as well as advantages of better diagnostics access to observable plasma regions and how the load geometry (size of the gap in the middle plane) influences K-shell Al radiation. In particular, K-shell Al radiation was delayed compared to L-shell mid-atomic-number radiation when the gap in the middle plane was large enough (when the number of empty slots was increased up to ten)« less

The effect of gold(I) coordination on the dual fluorescence of 4-(dimethylamino)pyridine.

PubMed

López-de-Luzuriaga, José M; Manso, Elena; Monge, Miguel; Olmos, M Elena; Rodríguez-Castillo, María; Sampedro, Diego

2015-06-28

The reactions of 4(dimethylamino)pyridine (DMAP) with the gold(I) precursors [AuR(tht)] (R = C6F5, C6Cl2F3 or C6Cl5; tht = tetrahydrothiophene) lead to complexes [AuR(DMAP)] (R = C6F5 (1), C6Cl2F3 (2) or C6Cl5 (3)). X-ray diffraction studies of the complexes reveal the presence of discrete molecules in which aurophilic contacts are absent, with π-stacking (1) or hydrogen bond (2) interactions being responsible for the supramolecular arrangements found in the solid state. All complexes display fluorescence in solution in solvents of different polarities such as toluene, chloroform or acetonitrile. In all cases the emission energy is similar to the low-energy Twisted Intramolecular Charge Transfer (TICT) emission of free DMAP. TDDFT calculations confirm that the fluorescence of complexes 1-3 arises from the ICT excited state of bonded DMAP in which a 90° distortion of the pyridine ring and -NMe2 planes is observed. Model calculations based on experimental parameters show a higher degree of polarization of DMAP upon coordination to Au(I) organometallic fragments.

On the solution of two-point linear differential eigenvalue problems. [numerical technique with application to Orr-Sommerfeld equation

NASA Technical Reports Server (NTRS)

Antar, B. N.

1976-01-01

A numerical technique is presented for locating the eigenvalues of two point linear differential eigenvalue problems. The technique is designed to search for complex eigenvalues belonging to complex operators. With this method, any domain of the complex eigenvalue plane could be scanned and the eigenvalues within it, if any, located. For an application of the method, the eigenvalues of the Orr-Sommerfeld equation of the plane Poiseuille flow are determined within a specified portion of the c-plane. The eigenvalues for alpha = 1 and R = 10,000 are tabulated and compared for accuracy with existing solutions.

A Critical Plane-energy Model for Multiaxial Fatigue Life Prediction of Homogeneous and Heterogeneous Materials

NASA Astrophysics Data System (ADS)

Wei, Haoyang

A new critical plane-energy model is proposed in this thesis for multiaxial fatigue life prediction of homogeneous and heterogeneous materials. Brief review of existing methods, especially on the critical plane-based and energy-based methods, are given first. Special focus is on one critical plane approach which has been shown to work for both brittle and ductile metals. The key idea is to automatically change the critical plane orientation with respect to different materials and stress states. One potential drawback of the developed model is that it needs an empirical calibration parameter for non-proportional multiaxial loadings since only the strain terms are used and the out-of-phase hardening cannot be considered. The energy-based model using the critical plane concept is proposed with help of the Mroz-Garud hardening rule to explicitly include the effect of non-proportional hardening under fatigue cyclic loadings. Thus, the empirical calibration for non-proportional loading is not needed since the out-of-phase hardening is naturally included in the stress calculation. The model predictions are compared with experimental data from open literature and it is shown the proposed model can work for both proportional and non-proportional loadings without the empirical calibration. Next, the model is extended for the fatigue analysis of heterogeneous materials integrating with finite element method. Fatigue crack initiation of representative volume of heterogeneous materials is analyzed using the developed critical plane-energy model and special focus is on the microstructure effect on the multiaxial fatigue life predictions. Several conclusions and future work is drawn based on the proposed study.

Cyclometalated gold(III) trioxadiborrin complexes: studies of the bonding and excited states.

PubMed

Ayoub, Nicholas A; Browne, Amberle R; Anderson, Bryce L; Gray, Thomas G

2016-03-07

Trioxadiborrins are chelating ligands that assemble in dehydration reactions of boronic acids. They are structurally related to β-diketonate ligands, but have a 2-charge. Little is known of the bonding properties of trioxadiborrin ligands. Presented here are density-functional theory (DFT) studies of cyclometalated gold(III) trioxadiborrins. Substituent effects are evaluated, and comparison is made to the cyclometalating 2-(4-tolyl)pyridine (tpy) ligand on gold. The tpy ligand binds more strongly than any trioxadiborrin ligand considered here, and the two ligands bind competitively to gold. The 1,3-diphenyl trioxadiborrin ligand of 1 has a larger absolute binding enthalpy to gold than its β-diketonate analogue. Conjugation between boron and aryl substituents delocalizes charge and attenuates the trioxadiborrin's binding capacity. Steric effects that disrupt conjugation between boron and aryl substituents cause the trioxadiborrin to chelate more tightly. Fragment bond orders are divided into in-plane and out-of-plane contributions for square planar 1. In-plane bonding accounts for 88% of bond order between (tpy)Au2+ and the trioxadiborrin ligand. Cyclometalated gold(III) trioxadiborrin complexes were previously shown to be phosphorescent. Spin-unrestricted triplet-state geometry optimizations find that the ten largest excited-state distortions all occur on the tpy ligand. A plot of spin density in triplet 1 shows spin to reside predominantly on tpy. The 77 K luminescence spectrum of 1 is reported here. Time-dependent DFT and configuration interaction singles calculations (corrected for doubles excitations) overestimate the emission energy by ∼ 0.12 eV.

High- T c superconductivity at the interface between the CaCuO 2 and SrTiO 3 insulating oxides

DOE Office of Scientific and Technical Information (OSTI.GOV)

Di Castro, D.; Cantoni, C.; Ridolfi, F.

2015-09-28

At interfaces between complex oxides it is possible to generate electronic systems with unusual electronic properties, which are not present in the isolated oxides. One important example is the appearance of superconductivity at the interface between insulating oxides, although, until now, with very low T c. We report the occurrence of high T c superconductivity in the bilayer CaCuO 2/SrTiO 3, where both the constituent oxides are insulating. In order to obtain a superconducting state, the CaCuO 2/SrTiO 3 interface must be realized between the Ca plane of CaCuO 2 and the TiO 2 plane of SrTiO 3. Only inmore » this case can oxygen ions be incorporated in the interface Ca plane, acting as apical oxygen for Cu and providing holes to the CuO 2 planes. In addition, a detailed hole doping spatial profile can be obtained by scanning transmission electron microscopy and electron-energy-loss spectroscopy at the O K edge, clearly showing that the (super)conductivity is confined to about 1–2 CaCuO 2 unit cells close to the interface with SrTiO 3. The results obtained for the CaCuO 2/SrTiO 3 interface can be extended to multilayered high T c cuprates, contributing to explaining the dependence of T c on the number of CuO 2 planes in these systems.« less

The Development of a Finite Volume Method for Modeling Sound in Coastal Ocean Environment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Long, Wen; Yang, Zhaoqing; Copping, Andrea E.

: As the rapid growth of marine renewable energy and off-shore wind energy, there have been concerns that the noises generated from construction and operation of the devices may interfere marine animals’ communication. In this research, a underwater sound model is developed to simulate sound prorogation generated by marine-hydrokinetic energy (MHK) devices or offshore wind (OSW) energy platforms. Finite volume and finite difference methods are developed to solve the 3D Helmholtz equation of sound propagation in the coastal environment. For finite volume method, the grid system consists of triangular grids in horizontal plane and sigma-layers in vertical dimension. A 3Dmore » sparse matrix solver with complex coefficients is formed for solving the resulting acoustic pressure field. The Complex Shifted Laplacian Preconditioner (CSLP) method is applied to efficiently solve the matrix system iteratively with MPI parallelization using a high performance cluster. The sound model is then coupled with the Finite Volume Community Ocean Model (FVCOM) for simulating sound propagation generated by human activities in a range-dependent setting, such as offshore wind energy platform constructions and tidal stream turbines. As a proof of concept, initial validation of the finite difference solver is presented for two coastal wedge problems. Validation of finite volume method will be reported separately.« less

Communication: Two types of flat-planes conditions in density functional theory.

PubMed

Yang, Xiaotian Derrick; Patel, Anand H G; Miranda-Quintana, Ramón Alain; Heidar-Zadeh, Farnaz; González-Espinoza, Cristina E; Ayers, Paul W

2016-07-21

Using results from atomic spectroscopy, we show that there are two types of flat-planes conditions. The first type of flat-planes condition occurs when the energy as a function of the number of electrons of each spin, Nα and Nβ, has a derivative discontinuity on a line segment where the number of electrons, Nα + Nβ, is an integer. The second type of flat-planes condition occurs when the energy has a derivative discontinuity on a line segment where the spin polarization, Nα - Nβ, is an integer, but does not have a discontinuity associated with an integer number of electrons. Type 2 flat planes are rare-we observed just 15 type 2 flat-planes conditions out of the 4884 cases we tested-but their mere existence has implications for the design of exchange-correlation energy density functionals. To facilitate the development of functionals that have the correct behavior with respect to both fractional number of electrons and fractional spin polarization, we present a dataset for the chromium atom and its ions that can be used to test new functionals.

Growth of different phases and morphological features of MnS thin films by chemical bath deposition: Effect of deposition parameters and annealing

NASA Astrophysics Data System (ADS)

Hannachi, Amira; Maghraoui-Meherzi, Hager

2017-03-01

Manganese sulfide thin films have been deposited on glass slides by chemical bath deposition (CBD) method. The effects of preparative parameters such as deposition time, bath temperature, concentration of precursors, multi-layer deposition, different source of manganese, different complexing agent and thermal annealing on structural and morphological film properties have been investigated. The prepared thin films have been characterized using the X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive X-ray analysis (EDX). It exhibit the metastable forms of MnS, the hexagonal γ-MnS wurtzite phase with preferential orientation in the (002) plane or the cubic β-MnS zinc blende with preferential orientation in the (200) plane. Microstructural studies revealed the formation of MnS crystals with different morphologies, such as hexagons, spheres, cubes or flowers like.

Unconventional magnetisation texture in graphene/cobalt hybrids

DOE PAGES

Vu, A. D.; Coraux, J.; Chen, G.; ...

2016-04-26

Magnetic domain structure and spin-dependent reflectivity measurements on cobalt thin films intercalated at the graphene/Ir(111) interface are investigated using spin-polarised low-energy electron microscopy. We find that graphene-covered cobalt films have surprising magnetic properties. Vectorial imaging of magnetic domains reveals an unusually gradual thickness-dependent spin reorientation transition, in which magnetisation rotates from out-of-the-film plane to the in-plane direction by less than 10° per cobalt monolayer. During this transition, cobalt films have a meandering spin texture, characterised by a complex, three-dimensional, wavy magnetisation pattern. In addition, spectroscopy measurements suggest that the electronic band structure of the unoccupied states is essentially spin-independent alreadymore » a few electron-Volts above the vacuum level. These properties strikingly differ from those of pristine cobalt films and could open new prospects in surface magnetism.« less

Predicting chroma from luma with frequency domain intra prediction

NASA Astrophysics Data System (ADS)

Egge, Nathan E.; Valin, Jean-Marc

2015-03-01

This paper describes a technique for performing intra prediction of the chroma planes based on the reconstructed luma plane in the frequency domain. This prediction exploits the fact that while RGB to YUV color conversion has the property that it decorrelates the color planes globally across an image, there is still some correlation locally at the block level.1 Previous proposals compute a linear model of the spatial relationship between the luma plane (Y) and the two chroma planes (U and V).2 In codecs that use lapped transforms this is not possible since transform support extends across the block boundaries3 and thus neighboring blocks are unavailable during intra- prediction. We design a frequency domain intra predictor for chroma that exploits the same local correlation with lower complexity than the spatial predictor and which works with lapped transforms. We then describe a low- complexity algorithm that directly uses luma coefficients as a chroma predictor based on gain-shape quantization and band partitioning. An experiment is performed that compares these two techniques inside the experimental Daala video codec and shows the lower complexity algorithm to be a better chroma predictor.

Optical multicast system for data center networks.

PubMed

Samadi, Payman; Gupta, Varun; Xu, Junjie; Wang, Howard; Zussman, Gil; Bergman, Keren

2015-08-24

We present the design and experimental evaluation of an Optical Multicast System for Data Center Networks, a hardware-software system architecture that uniquely integrates passive optical splitters in a hybrid network architecture for faster and simpler delivery of multicast traffic flows. An application-driven control plane manages the integrated optical and electronic switched traffic routing in the data plane layer. The control plane includes a resource allocation algorithm to optimally assign optical splitters to the flows. The hardware architecture is built on a hybrid network with both Electronic Packet Switching (EPS) and Optical Circuit Switching (OCS) networks to aggregate Top-of-Rack switches. The OCS is also the connectivity substrate of splitters to the optical network. The optical multicast system implementation requires only commodity optical components. We built a prototype and developed a simulation environment to evaluate the performance of the system for bulk multicasting. Experimental and numerical results show simultaneous delivery of multicast flows to all receivers with steady throughput. Compared to IP multicast that is the electronic counterpart, optical multicast performs with less protocol complexity and reduced energy consumption. Compared to peer-to-peer multicast methods, it achieves at minimum an order of magnitude higher throughput for flows under 250 MB with significantly less connection overheads. Furthermore, for delivering 20 TB of data containing only 15% multicast flows, it reduces the total delivery energy consumption by 50% and improves latency by 55% compared to a data center with a sole non-blocking EPS network.

Staging in polyacetylene-iodine conductors

NASA Astrophysics Data System (ADS)

Baughman, R. H.; Murthy, N. S.; Miller, G. G.; Shacklette, L. W.

1983-07-01

Evidence is presented for the existence of highly conducting polyacetylene complexes with structures related to high-stage graphite, as well as structures related to first-stage graphite. X-ray diffraction measurements on polyacetylene-iodine complexes indicate equatorial lines at 7.7-8.0 and 13.8-14.3 Å. The shorter spacing arises in part from a structure in which iodine-rich planes alternate with planes of polyacetylene chains. The longer spacing, which disappears upon atmospheric exposure, is consistent with a structure analogous to third-stage graphite in which dopant-rich planes are separated by three close-packed planes of polyacetylene chains. The third-stage complex can be viewed as a perturbation of the structure of undoped polyacetylene, with the region between dopant layers consisting essentially of a one unit cell thickness of the parent polymer structure. Packing calculations for this model, in which a linear column of anions (I3- and/or I5-) displaces either every chain or every other chain in the dopant-rich layer, provide an interlayer spacing which is equal to that observed. Evidence consistent with third-stage structures (with both fractional occupation and complete occupation of the dopant plane) is also found by reexamination of published sorption data, which provides slope changes at close to the calculated limiting compositions for these structures [(CHI0.056)x and (CHI0.13)x]. However, a first-stage structure with alternating dopant arrays and polymer chains in the dopant plane [for which (CHI0.13)x is calculated] provides a better explanation for the second slope change, as well as for the composition obtained under dynamic vacuum, (CHI0.14)x. These results for iodine complexes are compared with those derived for the group VA halide complexes of polyacetylene.

Search for ultra high energy gamma-rays from various sources

NASA Technical Reports Server (NTRS)

Dzikowski, T.; Gawin, J.; Grochalska, B.; Korejwo, J.; Wdowczyk, J.

1985-01-01

The hypothesis that there exists an excess of showers from the Galactic plane on the level 1 to 2% at energies just above 10 to the 16th power eV is explored. The excess shower from the Galactic plane seems to be very similar in properties to excess showers from the point sources/flat spectrum, deficit of low energy muons. Those facts suggest that the excess from the Galactic plane are probably due to summing up of the contribution from individual point sources. That in turn suggest that those sources are rather numerous.

High-resolution 3T Magnetic Resonance Imaging of the Triangular Fibrocartilage Complex in Chinese Wrists: Correlation with Cross-sectional Anatomy.

PubMed

Zhan, Hui-Li; Li, Wen-Ting; Bai, Rong-Jie; Wang, Nai-Li; Qian, Zhan-Hua; Ye, Wei; Yin, Yu-Ming

2017-04-05

The injury of the triangular fibrocartilage complex (TFCC) is a common cause of ulnar-sided wrist pain. The aim of this study was to investigate if the high-resolution 3T magnetic resonance imaging (MRI) could demonstrate the detailed complex anatomy of TFCC in Chinese. Fourteen Chinese cadaveric wrists (from four men and three women; age range at death from 30 to 60 years; mean age at 46 years) and forty healthy Chinese wrists (from 20 healthy volunteers, male/female: 10/10; age range from 21 to 53 years with a mean age of 32 years) in Beijing Jishuitan Hospital from March 2014 to March 2016 were included in this study. All cadavers and volunteers had magnetic resonance (MR) examination of the wrist with coronal T1-weighted and proton density-weighted imaging with fat suppression in three planes, respectively. MR arthrography (MRAr) was performed on one of the cadaveric wrists. Subsequently, all 14 cadaveric wrists were sliced into 2 mm thick slab with band saw (six in coronal plane, four in sagittal plane, and four in axial plane). The MRI features of normal TFCC were analyzed in these specimens and forty healthy wrists. Triangular fibrocartilage, the ulnar collateral ligament, and the meniscal homolog could be best observed on images in coronal plane. The palmar and dorsal radioulnar ligaments were best evaluated in transverse plane. The ulnotriquetral and ulnolunate ligaments were best visualized in sagittal plane. The latter two structures and the volar and dorsal capsules were better demonstrated on MRAr. High-resolution 3T MRI is capable to show the detailed complex anatomy of the TFCC and can provide valuable information for the clinical diagnosis in Chinese.

High-resolution 3T Magnetic Resonance Imaging of the Triangular Fibrocartilage Complex in Chinese Wrists: Correlation with Cross-sectional Anatomy

PubMed Central

Zhan, Hui-Li; Li, Wen-Ting; Bai, Rong-Jie; Wang, Nai-Li; Qian, Zhan-Hua; Ye, Wei; Yin, Yu-Ming

2017-01-01

Background: The injury of the triangular fibrocartilage complex (TFCC) is a common cause of ulnar-sided wrist pain. The aim of this study was to investigate if the high-resolution 3T magnetic resonance imaging (MRI) could demonstrate the detailed complex anatomy of TFCC in Chinese. Methods: Fourteen Chinese cadaveric wrists (from four men and three women; age range at death from 30 to 60 years; mean age at 46 years) and forty healthy Chinese wrists (from 20 healthy volunteers, male/female: 10/10; age range from 21 to 53 years with a mean age of 32 years) in Beijing Jishuitan Hospital from March 2014 to March 2016 were included in this study. All cadavers and volunteers had magnetic resonance (MR) examination of the wrist with coronal T1-weighted and proton density-weighted imaging with fat suppression in three planes, respectively. MR arthrography (MRAr) was performed on one of the cadaveric wrists. Subsequently, all 14 cadaveric wrists were sliced into 2 mm thick slab with band saw (six in coronal plane, four in sagittal plane, and four in axial plane). The MRI features of normal TFCC were analyzed in these specimens and forty healthy wrists. Results: Triangular fibrocartilage, the ulnar collateral ligament, and the meniscal homolog could be best observed on images in coronal plane. The palmar and dorsal radioulnar ligaments were best evaluated in transverse plane. The ulnotriquetral and ulnolunate ligaments were best visualized in sagittal plane. The latter two structures and the volar and dorsal capsules were better demonstrated on MRAr. Conclusion: High-resolution 3T MRI is capable to show the detailed complex anatomy of the TFCC and can provide valuable information for the clinical diagnosis in Chinese. PMID:28345546

A theoretical study of the molecular structures and vibrational spectra of the N 2O⋯(HF) 2

NASA Astrophysics Data System (ADS)

de Lima, Nathália B.; Ramos, Mozart N.

2012-01-01

Theoretical calculations using both the MP2 and B3LYP levels of calculation with a 6-311++G(3df,3pd) basis set have been performed to determine stable structures and molecular properties for the H-bonded complexes involving nitrous oxide (N 2O) and two HF molecules. Five complex have been characterized as minima since no imaginary frequency was found. Three complex are predicted to be relatively more stable with binding energies varying from 14 kJ mol -1 to 23 kJ mol -1 after BSSE and ZPE corrections. Our calculations have revealed that the second complexation with HF preferably occurs with the first complexed HF molecule, i.e., forming the X⋯H sbnd F⋯H sbnd F skeleton with X = O or N instead the F sbnd H⋯N sbnd N sbnd O⋯H sbnd F one. As expected, the H sbnd F chemical bonds are increased after complexation due to intermolecular charge transfer from "n" isolated pair of the X atom (X = N, O or F) to the σ ∗ anti-bonding orbital of HF. For the strongly bounded complex, the doubly complexed HF molecule acts as a bridge between the two end molecules while transferring electrons from N 2O to HF. Both possess the same amount of residual charge but with opposite signs. The H sbnd F stretching frequency of the monoprotic acid is shifted downward after complexation whereas its IR intensity is much enhanced. This increase has been adequately interpreted in terms of equilibrium hydrogen charge and charge-flux associated to the H sbnd F stretching using the CCFOM model for infrared intensities. This procedure has also allowed to analyze the new vibrational modes arising upon H-bond formation, especially those associated with the out-of-plane and in-plane HF bending modes, which are pure rotations in the HF isolated molecule.

The H.E.S.S. Galactic plane survey

NASA Astrophysics Data System (ADS)

H. E. S. S. Collaboration; Abdalla, H.; Abramowski, A.; Aharonian, F.; Benkhali, F. Ait; Angüner, E. O.; Arakawa, M.; Arrieta, M.; Aubert, P.; Backes, M.; Balzer, A.; Barnard, M.; Becherini, Y.; Tjus, J. Becker; Berge, D.; Bernhard, S.; Bernlöhr, K.; Blackwell, R.; Böttcher, M.; Boisson, C.; Bolmont, J.; Bonnefoy, S.; Bordas, P.; Bregeon, J.; Brun, F.; Brun, P.; Bryan, M.; Büchele, M.; Bulik, T.; Capasso, M.; Carrigan, S.; Caroff, S.; Carosi, A.; Casanova, S.; Cerruti, M.; Chakraborty, N.; Chaves, R. C. G.; Chen, A.; Chevalier, J.; Colafrancesco, S.; Condon, B.; Conrad, J.; Davids, I. D.; Decock, J.; Deil, C.; Devin, J.; deWilt, P.; Dirson, L.; Djannati-Ataï, A.; Domainko, W.; Donath, A.; Drury, L. O.'C.; Dutson, K.; Dyks, J.; Edwards, T.; Egberts, K.; Eger, P.; Emery, G.; Ernenwein, J.-P.; Eschbach, S.; Farnier, C.; Fegan, S.; Fernandes, M. V.; Fiasson, A.; Fontaine, G.; Förster, A.; Funk, S.; Füßling, M.; Gabici, S.; Gallant, Y. A.; Garrigoux, T.; Gast, H.; Gaté, F.; Giavitto, G.; Giebels, B.; Glawion, D.; Glicenstein, J. F.; Gottschall, D.; Grondin, M.-H.; Hahn, J.; Haupt, M.; Hawkes, J.; Heinzelmann, G.; Henri, G.; Hermann, G.; Hinton, J. A.; Hofmann, W.; Hoischen, C.; Holch, T. L.; Holler, M.; Horns, D.; Ivascenko, A.; Iwasaki, H.; Jacholkowska, A.; Jamrozy, M.; Jankowsky, D.; Jankowsky, F.; Jingo, M.; Jouvin, L.; Jung-Richardt, I.; Kastendieck, M. A.; Katarzyński, K.; Katsuragawa, M.; Katz, U.; Kerszberg, D.; Khangulyan, D.; Khélifi, B.; King, J.; Klepser, S.; Klochkov, D.; Kluźniak, W.; Komin, Nu.; Kosack, K.; Krakau, S.; Kraus, M.; Krüger, P. P.; Laffon, H.; Lamanna, G.; Lau, J.; Lees, J.-P.; Lefaucheur, J.; Lemière, A.; Lemoine-Goumard, M.; Lenain, J.-P.; Leser, E.; Lohse, T.; Lorentz, M.; Liu, R.; López-Coto, R.; Lypova, I.; Marandon, V.; Malyshev, D.; Marcowith, A.; Mariaud, C.; Marx, R.; Maurin, G.; Maxted, N.; Mayer, M.; Meintjes, P. J.; Meyer, M.; Mitchell, A. M. W.; Moderski, R.; Mohamed, M.; Mohrmann, L.; Morå, K.; Moulin, E.; Murach, T.; Nakashima, S.; de Naurois, M.; Ndiyavala, H.; Niederwanger, F.; Niemiec, J.; Oakes, L.; O'Brien, P.; Odaka, H.; Ohm, S.; Ostrowski, M.; Oya, I.; Padovani, M.; Panter, M.; Parsons, R. D.; Paz Arribas, M.; Pekeur, N. W.; Pelletier, G.; Perennes, C.; Petrucci, P.-O.; Peyaud, B.; Piel, Q.; Pita, S.; Poireau, V.; Poon, H.; Prokhorov, D.; Prokoph, H.; Pühlhofer, G.; Punch, M.; Quirrenbach, A.; Raab, S.; Rauth, R.; Reimer, A.; Reimer, O.; Renaud, M.; de los Reyes, R.; Rieger, F.; Rinchiuso, L.; Romoli, C.; Rowell, G.; Rudak, B.; Rulten, C. B.; Safi-Harb, S.; Sahakian, V.; Saito, S.; Sanchez, D. A.; Santangelo, A.; Sasaki, M.; Schandri, M.; Schlickeiser, R.; Schüssler, F.; Schulz, A.; Schwanke, U.; Schwemmer, S.; Seglar-Arroyo, M.; Settimo, M.; Seyffert, A. S.; Shafi, N.; Shilon, I.; Shiningayamwe, K.; Simoni, R.; Sol, H.; Spanier, F.; Spir-Jacob, M.; Stawarz, Ł.; Steenkamp, R.; Stegmann, C.; Steppa, C.; Sushch, I.; Takahashi, T.; Tavernet, J.-P.; Tavernier, T.; Taylor, A. M.; Terrier, R.; Tibaldo, L.; Tiziani, D.; Tluczykont, M.; Trichard, C.; Tsirou, M.; Tsuji, N.; Tuffs, R.; Uchiyama, Y.; van der Walt, D. J.; van Eldik, C.; van Rensburg, C.; van Soelen, B.; Vasileiadis, G.; Veh, J.; Venter, C.; Viana, A.; Vincent, P.; Vink, J.; Voisin, F.; Völk, H. J.; Vuillaume, T.; Wadiasingh, Z.; Wagner, S. J.; Wagner, P.; Wagner, R. M.; White, R.; Wierzcholska, A.; Willmann, P.; Wörnlein, A.; Wouters, D.; Yang, R.; Zaborov, D.; Zacharias, M.; Zanin, R.; Zdziarski, A. A.; Zech, A.; Zefi, F.; Ziegler, A.; Zorn, J.; Żywucka, N.

2018-04-01

We present the results of the most comprehensive survey of the Galactic plane in very high-energy (VHE) γ-rays, including a public release of Galactic sky maps, a catalog of VHE sources, and the discovery of 16 new sources of VHE γ-rays. The High Energy Spectroscopic System (H.E.S.S.) Galactic plane survey (HGPS) was a decade-long observation program carried out by the H.E.S.S. I array of Cherenkov telescopes in Namibia from 2004 to 2013. The observations amount to nearly 2700 h of quality-selected data, covering the Galactic plane at longitudes from ℓ = 250° to 65° and latitudes |b|≤ 3°. In addition to the unprecedented spatial coverage, the HGPS also features a relatively high angular resolution (0.08° ≈ 5 arcmin mean point spread function 68% containment radius), sensitivity (≲1.5% Crab flux for point-like sources), and energy range (0.2-100 TeV). We constructed a catalog of VHE γ-ray sources from the HGPS data set with a systematic procedure for both source detection and characterization of morphology and spectrum. We present this likelihood-based method in detail, including the introduction of a model component to account for unresolved, large-scale emission along the Galactic plane. In total, the resulting HGPS catalog contains 78 VHE sources, of which 14 are not reanalyzed here, for example, due to their complex morphology, namely shell-like sources and the Galactic center region. Where possible, we provide a firm identification of the VHE source or plausible associations with sources in other astronomical catalogs. We also studied the characteristics of the VHE sources with source parameter distributions. 16 new sources were previously unknown or unpublished, and we individually discuss their identifications or possible associations. We firmly identified 31 sources as pulsar wind nebulae (PWNe), supernova remnants (SNRs), composite SNRs, or gamma-ray binaries. Among the 47 sources not yet identified, most of them (36) have possible associations with cataloged objects, notably PWNe and energetic pulsars that could power VHE PWNe. The source catalog is available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/612/A1

Comparison between high- and zero-contrast gratings as VCSEL mirrors

NASA Astrophysics Data System (ADS)

Liu, Anjin; Zheng, Wanhua; Bimberg, Dieter

2017-04-01

This study presents a comparison between high-contrast gratings (HCGs) and zero-contrast gratings (ZCGs) for high-speed vertical-cavity surface-emitting lasers (VCSELs). Both types of gratings exhibit high reflectivities beyond 99.5% due to the destructive interference at the output plane, but the HCG has a broader high reflectivity band. The HCG has a lower reflection delay time and smaller energy penetration length than the ZCG. The HCG has poorer mode selectivity for the VCSEL than the ZCG. The fabrication of the ZCG is less complex but with tight fabrication tolerances.

Method for improving product yields in an anionic metalloporphyrin-based artificial photosynthesis system

DOEpatents

Shelnutt, John A.

1986-01-01

A method for improving product yields in an anionic metalloporphyrin-based artificial photosynthesis system for hydrogen generation which comprises forming an aqueous solution comprising an electron donor, methylviologen, and certain metalloporphyrins and metallochlorins, and irradiating said aqueous solution with light in the presence of a catalyst. In the photosynthesis process, solar energy is collected and stored in the form of a gas hydrogen. Ligands attached above and below the metalloporphyrin and metallochlorin plane are capable of sterically blocking photochemically inactive electrostatically bound .pi.--.pi. complexes which can develop.

Method for improving product yields in an anionic metalloporphyrin-based artificial photosynthesis system

DOEpatents

Shelnutt, J.A.

1984-11-29

A method is disclosed improving product yields in an anionic metalloporphyrin-based artificial photosynthesis system for hydrogen generation. The method comprises forming an aqueous solution comprising an electron donor, methylviologen, and certain metalloporphyrins and metallochlorins, and irradiating said aqueous solution with light in the presence of a catalyst. In the photosynthesis process, solar energy is collected and stored in the form of a hydrogen. Ligands attached above and below the metalloporphyrin and metallochlorin plane are capable of sterically blocking photochemically inactive electrostatically bound ..pi..-..pi.. complexes which can develop.

Understanding the anisotropic strain effects on lithium diffusion in graphite anodes: A first-principles study

NASA Astrophysics Data System (ADS)

Ji, Xiang; Wang, Yang; Zhang, Junqian

2018-06-01

The lithium diffusion in graphite anode, which is the most widely used commercial electrode material today, affects the charge/discharge performance of lithium-ion batteries. In this study, the anisotropic strain effects on lithium diffusion in graphite anodes are systematically investigated using first-principles calculations based on density functional theory (DFT) with van der Waals corrections. It is found that the effects of external applied strains along various directions of LixC6 (i.e., perpendicular or parallel to the basal planes of the graphite host) on lithium diffusivity are different. Along the direction perpendicular to the graphite planes, the tensile strain facilitates in-plane Li diffusion by reducing the energy barrier, and the compressive strain hinders in-plane Li diffusion by raising the energy barrier. In contrast, the in-plane biaxial tensile strain (parallel to the graphite planes) hinders in-plane Li diffusion, and the in-plane biaxial compressive strain facilitates in-plane Li diffusion. Furthermore, both in-plane and transverse shear strains slightly influence Li diffusion in graphite anodes. A discussion is presented to explain the anisotropic strain dependence of lithium diffusion. This research provides data for the continuum modelling of the electrodes in the lithium-ion batteries.

An efficient global energy optimization approach for robust 3D plane segmentation of point clouds

NASA Astrophysics Data System (ADS)

Dong, Zhen; Yang, Bisheng; Hu, Pingbo; Scherer, Sebastian

2018-03-01

Automatic 3D plane segmentation is necessary for many applications including point cloud registration, building information model (BIM) reconstruction, simultaneous localization and mapping (SLAM), and point cloud compression. However, most of the existing 3D plane segmentation methods still suffer from low precision and recall, and inaccurate and incomplete boundaries, especially for low-quality point clouds collected by RGB-D sensors. To overcome these challenges, this paper formulates the plane segmentation problem as a global energy optimization because it is robust to high levels of noise and clutter. First, the proposed method divides the raw point cloud into multiscale supervoxels, and considers planar supervoxels and individual points corresponding to nonplanar supervoxels as basic units. Then, an efficient hybrid region growing algorithm is utilized to generate initial plane set by incrementally merging adjacent basic units with similar features. Next, the initial plane set is further enriched and refined in a mutually reinforcing manner under the framework of global energy optimization. Finally, the performances of the proposed method are evaluated with respect to six metrics (i.e., plane precision, plane recall, under-segmentation rate, over-segmentation rate, boundary precision, and boundary recall) on two benchmark datasets. Comprehensive experiments demonstrate that the proposed method obtained good performances both in high-quality TLS point clouds (i.e., http://SEMANTIC3D.NET)

A Separable Insertion Method to Calculate Atomic and Molecular Resonances on a FE-DVR Grid using Exterior Complex Scaling

NASA Astrophysics Data System (ADS)

Abeln, Brant Anthony

The study of metastable electronic resonances, anion or neutral states of finite lifetime, in molecules is an important area of research where currently no theoretical technique is generally applicable. The role of theory is to calculate both the position and width, which is proportional to the inverse of the lifetime, of these resonances and how they vary with respect to nuclear geometry in order to generate potential energy surfaces. These surfaces are the basis of time-dependent models of the molecular dynamics where the system moves towards vibrational excitation or fragmentation. Three fundamental electronic processes that can be modeled this way are dissociative electronic attachment, vibrational excitation through electronic impact and autoionization. Currently, experimental investigation into these processes is being preformed on polyatomic molecules while theoreticians continue their fifty-year-old search for robust methods to calculate them. The separable insertion method, investigated in this thesis, seeks to tackle the problem of calculating metastable resonances by using existing quantum chemistry tools along with a grid-based method employing exterior complex scaling (ECS). Modern quantum chemistry methods are extremely efficient at calculating ground and (bound) excited electronic states of atoms and molecules by utilizing Gaussian basis functions. These functions provide both a numerically fast and analytic solution to the necessary two-electron, six-dimensional integrals required in structure calculations. However, these computer programs, based on analytic Gaussian basis sets, cannot construct solutions that are not square-integrable, such as resonance wavefunctions. ECS, on the other hand, can formally calculate resonance solutions by rotating the asymptotic electronic coordinates into the complex plane. The complex Siegert energies for resonances, Eres = ER - iGamma/2 where ER is the real-valued position of the resonance and Gamma is the width of the resonance, can be found directly as an isolated pole in the complex energy plane. Unlike the straight complex scaling, ECS on the electronic coordinates overcomes the non-analytic behavior of the nuclear attraction potential, as a function of complex [special characters omitted] where the sum is over each nucleus in a molecular system. Discouragingly, the Gaussian basis functions, which are computationally well-suited for bound electronic structure, fail at forming an effective basis set for ECS due to the derivative discontinuity generated by the complex coordinate rotation and the piecewise defined contour. This thesis seeks to explore methods for implementing ECS indirectly without losing the numerical simplicity and power of Gaussian basis sets. The separable insertion method takes advantage of existing software by constructing a N2-term separable potential of the target system using Gaussian functions to be inserted into a finite-element discrete variable representation (FE-DVR) grid that implements ECS. This work reports an exhaustive investigation into this approach for calculating resonances. This thesis shows that this technique is successful at describing an anion shape resonance of a closed-shell atom or molecule in the static-exchange approximation. This method is applied to the 2P Be-, 2pig N2- and 2pi u CO2- shape resonances to calculate their complex Seigert energies. Additionally, many details on the exact construction of the separable potential and of the expansion basis are explored. The future work considers methods for faster convergence of the resonance energy, moving beyond the static-exchange approximation and applying this technique to polyatomic systems of interest.

Helical coil buckling mechanism for a stiff nanowire on an elastomeric substrate

NASA Astrophysics Data System (ADS)

Chen, Youlong; Liu, Yilun; Yan, Yuan; Zhu, Yong; Chen, Xi

2016-10-01

When a stiff nanowire is deposited on a compliant soft substrate, it may buckle into a helical coil form when the system is compressed. Using theoretical and finite element method (FEM) analyses, the detailed three-dimensional coil buckling mechanism for a silicon nanowire (SiNW) on a polydimethylsiloxane (PDMS) substrate is studied. A continuum mechanics approach based on the minimization of the strain energy in the SiNW and elastomeric substrate is developed. Due to the helical buckling, the bending strain in SiNW is significantly reduced and the maximum local strain is almost uniformly distributed along SiNW. Based on the theoretical model, the energy landscape for different buckling modes of SiNW on PDMS substrate is given, which shows that both the in-plane and out-of-plane buckling modes have the local minimum potential energy, whereas the helical buckling model has the global minimum potential energy. Furthermore, the helical buckling spacing and amplitudes are deduced, taking into account the influences of the elastic properties and dimensions of SiNWs. These features are verified by systematic FEM simulations and parallel experiments. As the effective compressive strain in elastomeric substrate increases, the buckling profile evolves from a vertical ellipse to a lateral ellipse, and then approaches to a circle when the effective compressive strain is larger than 30%. The study may shed useful insights on the design and optimization of high-performance stretchable electronics and 3D complex nano-structures.

Laser-Driven Recollisions under the Coulomb Barrier.

PubMed

Keil, Th; Popruzhenko, S V; Bauer, D

2016-12-09

Photoelectron spectra obtained from the ab initio solution of the time-dependent Schrödinger equation can be in striking disagreement with predictions by the strong-field approximation (SFA), not only at low energy but also around twice the ponderomotive energy where the transition from the direct to the rescattered electrons is expected. In fact, the relative enhancement of the ionization probability compared to the SFA in this regime can be several orders of magnitude. We show for which laser and target parameters such an enhancement occurs and for which the SFA prediction is qualitatively good. The enhancement is analyzed in terms of the Coulomb-corrected action along analytic quantum orbits in the complex-time plane, taking soft recollisions under the Coulomb barrier into account. These recollisions in complex time and space prevent a separation into sub-barrier motion up to the "tunnel exit" and subsequent classical dynamics. Instead, the entire quantum path up to the detector determines the ionization probability.

Pole movement in electronic and optoelectronic oscillators

NASA Astrophysics Data System (ADS)

Chatterjee, S.; Pal, S.; Biswas, B. N.

2013-12-01

An RLC circuit with poles on the left half of the complex frequency plane is capable of executing transient oscillations. During this period, energy conversion from potential to kinetic and from kinetic to potential continuously goes on, until the stored energy is lost in dissipation through the resistance. On the other hand, in an electronic or opto-electronic oscillator with an embedded RLC circuit, the poles are forcibly placed on the right-half plane (RHP) and as far as practicable away from the imaginary axis in order to help the growth of oscillation as quickly as possible. And ultimately, it is imagined that, like the case of an ideal linear harmonic oscillator, the poles are frozen on the imaginary axis so that the oscillation neither grows nor decays. The authors feel that this act of holding the poles right on the imaginary axis is a theoretical conjecture in a soft or hard self-excited oscillator. In this article, a detailed discussion on pole movement in an electronic and opto-electronic oscillator is carried out from the basic concept. A new analytical method for estimating the time-dependent part of the pole is introduced here.

Flat band in disorder-driven non-Hermitian Weyl semimetals

NASA Astrophysics Data System (ADS)

Zyuzin, A. A.; Zyuzin, A. Yu.

2018-01-01

We study the interplay of disorder and band-structure topology in a Weyl semimetal with a tilted conical spectrum around the Weyl points. The spectrum of particles is given by the eigenvalues of a non-Hermitian matrix, which contains contributions from a Weyl Hamiltonian and complex self-energy due to electron elastic scattering on disorder. We find that the tilt-induced matrix structure of the self-energy gives rise to either a flat band or a nodal line segment at the interface of the electron and hole pockets in the bulk band structure of type-II Weyl semimetals depending on the Weyl cone inclination. For the tilt in a single direction in momentum space, each Weyl point expands into a flat band lying on the plane, which is transverse to the direction of the tilt. The spectrum of the flat band is fully imaginary and is separated from the in-plane dispersive part of the spectrum by the "exceptional nodal ring" where the matrix of the Green's function in momentum-frequency space is defective. The tilt in two directions might shrink a flat band into a nodal line segment with "exceptional edge points." We discuss the connection to the non-Hermitian topological theory.

On non-coplanar Hohmann transfer using angles as parameters

NASA Astrophysics Data System (ADS)

Rincón, Ángel; Rojo, Patricio; Lacruz, Elvis; Abellán, Gabriel; Díaz, Sttiwuer

2015-09-01

We study a more complex case of Hohmann orbital transfer of a satellite by considering non-coplanar and elliptical orbits, instead of planar and circular orbits. We use as parameter the angle between the initial and transference planes that minimizes the energy, and therefore the fuel of a satellite, through the application of two non-tangential impulses for all possible cases. We found an analytical expression that minimizes the energy for each configuration. Some reasonable physical constraints are used: we apply impulses at perigee or apogee of the orbit, we consider the duration of the impulse to be short compared to the duration of the trip, we take the nodal line of three orbits to be coincident and the three semimajor axes to lie in the same plane. We study the only four possible cases but assuming non-coplanar elliptic orbits. In addition, we validate our method through a numerical solution obtained by using some of the actual orbital elements of Sputnik I and Vanguard I satellites. For these orbits, we found that the most fuel-efficient transfer is obtained by applying the initial impulse at apocenter and keeping the transfer orbit aligned with the initial orbit.

Electronic structure and reactivity of high-spin iron--alkyl- and--pterinperoxo complexes.

PubMed

Lehnert, Nicolai; Fujisawa, Kiyoshi; Solomon, Edward I

2003-01-27

The spectroscopic properties and electronic structure of the four-coordinate high-spin [FeIII(L3)(OOtBu)]+ complex (1; L3 = hydrotris(3-tert-butyl-5-isopropyl-1-pyrazolyl)borate; tBu = tert-butyl) are investigated and compared to the six-coordinated high-spin [Fe(6-Me3TPA)(OHx)(OOtBu)]x+ system (TPA = tris(2-pyridylmethyl)amine, x = 1 or 2) studied earlier [Lehnert, N.; Ho, R. Y. N.; Que, L., Jr.; Solomon, E. I. J. Am. Chem. Soc. 2001, 123, 12802-12816]. Complex 1 is characterized by Raman features at 889 and 830 cm-1 which are assigned to the O-O stretch (mixed with the symmetric C-C stretch) and a band at 625 cm-1 that corresponds to nu(Fe-O). The UV-vis spectrum shows a charge-transfer (CT) transition at 510 nm from the alkylperoxo pi v* (v = vertical to C-O-O plane) to a d orbital of Fe(III). A second CT is identified from MCD at 370 nm that is assigned to a transition from pi h* (h = horizontal to C-O-O plane) to an Fe(III) d orbital. For the TPA complex the pi v* CT is at 560 nm while the pi h* CT is to higher energy than 250 nm. These spectroscopic differences between four- and six-coordinate Fe(III)-OOR complexes are interpreted on the basis of their different ligand fields. In addition, the electronic structure of Fe-OOPtn complexes with the biologically relevant pterinperoxo ligand are investigated. Substitution of the tert-butyl group in 1 by pterin leads to the corresponding Fe(III)-OOPtn species (2), which shows a stronger electron donation from the peroxide to Fe(III) than 1. This is related to the lower ionization potential of pterin. Reduction of 2 by one electron leads to the Fe(II)-OOPtn complex (3), which is relevant as a model for potential intermediates in pterin-dependent hydroxylases. However, in the four-coordinate ligand field of 3, the additional electron is located in a nonbonding d orbital of iron. Hence, the pterinperoxo ligand is not activated for heterolytic cleavage of the O-O bond in this system. This is also evident from the calculated reaction energies that are endothermic by at least 20 kcal/mol.

Ab-initio investigations for opto-electronic response of (Cd, Zn)Ga2Te4: Promising solar PV materials

NASA Astrophysics Data System (ADS)

Sahariya, Jagrati; Soni, Amit; Kumar, Pancham

2018-04-01

In this paper, the first principle calculations are performed to analyze the structural, electronic and optical behavior of promising solar materials (Cd,Zn)Ga2Te4. To perform these calculations we have used one of the most accurate Full Potential Linearized Augmented Plane Wave (FP-LAPW) method. The ground state properties of these compounds are confirmed over here after proper examination of energy and charge convergence using Perdew-Burke-Ernzerhof (PBE-sol) exchange correlation potential. The investigations performed such as energy band structure, Density of States (DOS), optical parameters like complex dielectric function and absorption co-efficient are discussed over here to understand the overall response of the chosen system.

DETERMINATION OF THE SPEED OF SOUND ALONG THE HUGONIOT IN A SHOCKED MATERIAL

DTIC Science & Technology

2017-04-25

correctly predict higher speeds of sound for the higher energy shocked states. The approximations of higher shock pressures diverge progressively...List 11 FIGURES 1 Copper Hugoniot pressure-specific volume plane 4 2 Copper Hugoniot energy -specific volume plane 4 3 Comparison between rate of...volume and energy are being used. = (, ) Then by the chain rule: = | + | Dividing by dv

Out-of-plane (e ,2 e ) measurements and calculations on He autoionizing levels as a function of incident-electron energy

NASA Astrophysics Data System (ADS)

Martin, N. L. S.; Weaver, C. M.; Kim, B. N.; deHarak, B. A.; Zatsarinny, O.; Bartschat, K.

2018-05-01

Out-of-scattering-plane (e ,2 e ) measurements and calculations are reported for the three singlet helium 2 ℓ 2 ℓ' autoionizing levels, with 80, 100, 120, 150, and 488 eV incident-electron energies, and scattering angles 60∘, 50 .8∘ , 45∘, 39 .2∘ , and 20 .5∘ , respectively. The kinematics are the same in all cases: the momentum transfer is K =2.1 a.u., and ejected electrons are detected in a plane that contains the momentum-transfer direction and is perpendicular to the scattering plane. The results are presented as (e ,2 e ) angular distributions energy integrated over each level. They are compared with fully nonperturbative B -spline R -matrix and hybrid second-order distorted-wave + R -matrix calculations.

Method and apparatus for eliminating coherent noise in a coherent energy imaging system without destroying spatial coherence

NASA Technical Reports Server (NTRS)

Shulman, A. R. (Inventor)

1971-01-01

A method and apparatus for substantially eliminating noise in a coherent energy imaging system, and specifically in a light imaging system of the type having a coherent light source and at least one image lens disposed between an input signal plane and an output image plane are, discussed. The input signal plane is illuminated with the light source by rotating the lens about its optical axis. In this manner, the energy density of coherent noise diffraction patterns as produced by imperfections such as dust and/or bubbles on and/or in the lens is distributed over a ring-shaped area of the output image plane and reduced to a point wherein it can be ignored. The spatial filtering capability of the coherent imaging system is not affected by this noise elimination technique.

Mixed configuration ground state in iron(II) phthalocyanine

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fernández-Rodríguez, Javier; Toby, Brian; van Veenendaal, Michel

2015-06-01

We calculate the angular dependence of the x-ray linear and circular dichroism at the L2,3 edges of α-Fe(II) Phthalocyanine (FePc) thin films using a ligand-field model with full configuration interaction. We find the best agreement with the experimental spectra for a mixed ground state of 3E (a2 e3b1 ) and 3B (a1 e4b1 ) g 1g g 2g 2g 1g g 2g with the two configurations coupled by the spin-orbit interaction. The 3Eg(b) and 3B2g states have easy-axis and easy-plane anisotropies, respectively. Our model accounts for an easy-plane magnetic anisotropy and the measured magnitudes of the in-plane orbital and spinmore » moments. The proximity in energy of the two configurations allows a switching of the magnetic anisotropy from easy plane to easy axis with a small change in the crystal field, as recently observed for FePc adsorbed on an oxidized Cu surface. We also discuss the possibility of a quintet ground state (5A1g is 250 meV above the ground state) with planar anisotropy by manipulation of the Fe-C bond length by depositing the complex on a substrate that is subjected to a mechanical strain.« less

Centre-based restricted nearest feature plane with angle classifier for face recognition

NASA Astrophysics Data System (ADS)

Tang, Linlin; Lu, Huifen; Zhao, Liang; Li, Zuohua

2017-10-01

An improved classifier based on the nearest feature plane (NFP), called the centre-based restricted nearest feature plane with the angle (RNFPA) classifier, is proposed for the face recognition problems here. The famous NFP uses the geometrical information of samples to increase the number of training samples, but it increases the computation complexity and it also has an inaccuracy problem coursed by the extended feature plane. To solve the above problems, RNFPA exploits a centre-based feature plane and utilizes a threshold of angle to restrict extended feature space. By choosing the appropriate angle threshold, RNFPA can improve the performance and decrease computation complexity. Experiments in the AT&T face database, AR face database and FERET face database are used to evaluate the proposed classifier. Compared with the original NFP classifier, the nearest feature line (NFL) classifier, the nearest neighbour (NN) classifier and some other improved NFP classifiers, the proposed one achieves competitive performance.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Hao; Lee, H. S.; Sarahan, M. C.

Grain boundaries (GBs) in complex oxides such as perovskites have been shown to readily accommodate nonstoichiometry changing the electrostatic potential at the boundary plane and effectively controlling material properties such as capacitance, magnetoresistance and superconductivity. Understanding and quantifying exactly how variations in atomic scale nonstoichiometry at the boundary plane extend to the practical mesoscale operating length of the system is therefore critical for improving the overall properties. Bicrystals of SrTiO 3 were fabricated to provide the model GB model structures that are analysed in this paper. We show that statistical analysis of aberration-corrected scanning transmission electron microscope images acquired frommore » a large area of GB is an effective routine to understanding the variation in boundary structure that occurs to accommodate nonstoichiometry. In the case of the SrTiO 3 22.6° Σ13 (510)/[100] GB analysed here, the symmetric atomic structures observed from a micron-long GB can be categorized as two different competing structural arrangements, with and without a rigid-body translation along the boundary plane. How this quantified experimental approach can provide direct insights into the GB energetics is further confirmed from the first principles density functional theory, and the effect of nonstoichiometry in determining the GB energies is quantified.« less

Stochastic Laplacian growth

NASA Astrophysics Data System (ADS)

Alekseev, Oleg; Mineev-Weinstein, Mark

2016-12-01

A point source on a plane constantly emits particles which rapidly diffuse and then stick to a growing cluster. The growth probability of a cluster is presented as a sum over all possible scenarios leading to the same final shape. The classical point for the action, defined as a minus logarithm of the growth probability, describes the most probable scenario and reproduces the Laplacian growth equation, which embraces numerous fundamental free boundary dynamics in nonequilibrium physics. For nonclassical scenarios we introduce virtual point sources, in which presence the action becomes the Kullback-Leibler entropy. Strikingly, this entropy is shown to be the sum of electrostatic energies of layers grown per elementary time unit. Hence the growth probability of the presented nonequilibrium process obeys the Gibbs-Boltzmann statistics, which, as a rule, is not applied out from equilibrium. Each layer's probability is expressed as a product of simple factors in an auxiliary complex plane after a properly chosen conformal map. The action at this plane is a sum of Robin functions, which solve the Liouville equation. At the end we establish connections of our theory with the τ function of the integrable Toda hierarchy and with the Liouville theory for noncritical quantum strings.

Communication: Two types of flat-planes conditions in density functional theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Xiaotian Derrick; Patel, Anand H. G.; González-Espinoza, Cristina E.

Using results from atomic spectroscopy, we show that there are two types of flat-planes conditions. The first type of flat-planes condition occurs when the energy as a function of the number of electrons of each spin, N{sub α} and N{sub β}, has a derivative discontinuity on a line segment where the number of electrons, N{sub α} + N{sub β}, is an integer. The second type of flat-planes condition occurs when the energy has a derivative discontinuity on a line segment where the spin polarization, N{sub α} – N{sub β}, is an integer, but does not have a discontinuity associated withmore » an integer number of electrons. Type 2 flat planes are rare—we observed just 15 type 2 flat-planes conditions out of the 4884 cases we tested—but their mere existence has implications for the design of exchange-correlation energy density functionals. To facilitate the development of functionals that have the correct behavior with respect to both fractional number of electrons and fractional spin polarization, we present a dataset for the chromium atom and its ions that can be used to test new functionals.« less

Electrical transport properties of LiNiV O ceramics

NASA Astrophysics Data System (ADS)

Ram, Moti

2009-08-01

The LiNiV O 4 fine powder has been synthesized by chemical "pyrophoric reaction process". The formation of LiNiV O 4 is confirmed by X-ray diffraction analysis. X-ray analysis shows that the compound has cubic crystal structure with lattice constant ( a=8.2243(2) Å). Microstructure of the sintered pellet is identified by taking the field emission scanning electron microscopy (FE-SEM) pictures, which reveals the grain size as ˜0.2-2 μm. Electrical properties are measured using complex impedance spectroscopy technique. Bulk contribution to electrical response is identified by the analysis of complex plane diagrams. The activation energy calculated from σ vs 10 3/T graph is ˜0.06 eV (25-225 ∘C) and ˜0.55 eV (225-375 ∘C). Complex modulus study shows non-Debye type (polydispersive) conductivity relaxation in the compound.

Alumina plate containing photosystem I reaction center complex oriented inside plate-penetrating silica nanopores.

PubMed

Kamidaki, Chihiro; Kondo, Toru; Noji, Tomoyasu; Itoh, Tetsuji; Yamaguchi, Akira; Itoh, Shigeru

2013-08-22

The photosynthetic photosystem I reaction center complex (PSI-RC), which has a molecular diameter of 21 nm with 100 pigments, was incorporated into silica nanopores with a 100-nm diameter that penetrates an alumina plate of 60-μm thickness to make up an inorganic-biological hybrid photocell. PSI-RCs, purified from a thermophilic cyanobacterium, were stable inside the nanopores and rapidly photoreduced a mediator dye methyl viologen. The reduced dye was more stable inside nanopores suggesting the decrease of dissolved oxygen. The analysis by a cryogenic electron spin paramagnetic resonance indicated the oriented arrangement of RCs inside the 100-nm nanopores, with their surface parallel to the silica wall and perpendicular to the plane of the alumina plate. PSI RC complex in the semicrystalline orientation inside silica nanopores can be a new type of light energy conversion unit to supply strong reducing power selectively to other molecules inside or outside nanopores.

Physically elastic analysis of a cylindrical ring as a unit cell of a complete composite under applied stress in the complex plane using cubic polynomials

NASA Astrophysics Data System (ADS)

Monfared, Vahid

2018-03-01

Elastic analysis is analytically presented to predict the behaviors of the stress and displacement components in the cylindrical ring as a unit cell of a complete composite under applied stress in the complex plane using cubic polynomials. This analysis is based on the complex computation of the stress functions in the complex plane and polar coordinates. Also, suitable boundary conditions are considered and assumed to analyze along with the equilibrium equations and bi-harmonic equation. This method has some important applications in many fields of engineering such as mechanical, civil and material engineering generally. One of the applications of this research work is in composite design and designing the cylindrical devices under various loadings. Finally, it is founded that the convergence and accuracy of the results are suitable and acceptable through comparing the results.

Ground state atoms confined in a real Rydberg and complex Rydberg-Scarf II potential

NASA Astrophysics Data System (ADS)

Mansoori Kermani, Maryam

2017-12-01

In this work, a system of two ground state atoms confined in a one-dimensional real Rydberg potential was modeled. The atom-atom interaction was considered as a nonlocal separable potential (NLSP) of rank one. This potential was assumed because it leads to an analytical solution of the Lippmann-Schwinger equation. The NLSPs are useful in the few body problems that the many-body potential at each point is replaced by a projective two-body nonlocal potential operator. Analytical expressions for the confined particle resolvent were calculated as a key function in this study. The contributions of the bound and virtual states in the complex energy plane were obtained via the derived transition matrix. Since the low energy quantum scattering problems scattering length is an important quantity, the behavior of this parameter was described versus the reduced energy considering various values of potential parameters. In a one-dimensional model, the total cross section in units of the area is not a meaningful property; however, the reflectance coefficient has a similar role. Therefore the reflectance probability and its behavior were investigated. Then a new confined potential via combining the complex absorbing Scarf II potential with the real Rydberg potential, called the Rydberg-Scarf II potential, was introduced to construct a non-Hermitian Hamiltonian. In order to investigate the effect of the complex potential, the scattering length and reflectance coefficient were calculated. It was concluded that in addition to the competition between the repulsive and attractive parts of both potentials, the imaginary part of the complex potential has an important effect on the properties of the system. The complex potential also reduces the reflectance probability via increasing the absorption probability. For all numerical computations, the parameters of a system including argon gas confined in graphite were considered.

Lower extremity energy absorption and biomechanics during landing, part II: frontal-plane energy analyses and interplanar relationships.

PubMed

Norcross, Marc F; Lewek, Michael D; Padua, Darin A; Shultz, Sandra J; Weinhold, Paul S; Blackburn, J Troy

2013-01-01

Greater sagittal-plane energy absorption (EA) during the initial impact phase (INI) of landing is consistent with sagittal-plane biomechanics that likely increase anterior cruciate ligament (ACL) loading, but it does not appear to influence frontal-plane biomechanics. We do not know whether frontal-plane INI EA is related to high-risk frontal-plane biomechanics. To compare biomechanics among INI EA groups, determine if women are represented more in the high group, and evaluate interplanar INI EA relationships. Descriptive laboratory study. Research laboratory. Participants included 82 (41 men, 41 women; age = 21.0 ± 2.4 years, height = 1.74 ± 0.10 m, mass = 70.3 ± 16.1 kg) healthy, physically active volunteers. We assessed landing biomechanics with an electromagnetic motion-capture system and force plate. We calculated frontal- and sagittal-plane total, hip, knee, and ankle INI EA. Total frontal-plane INI EA was used to create high, moderate, and low tertiles. Frontal-plane knee and hip kinematics, peak vertical and posterior ground reaction forces, and peak internal knee-varus moment (pKVM) were identified and compared across groups using 1-way analyses of variance. We used a χ (2) analysis to evaluate male and female allocation to INI EA groups. We used simple, bivariate Pearson product moment correlations to assess interplanar INI EA relationships. The high-INI EA group exhibited greater knee valgus at ground contact, hip adduction at pKVM, and peak hip adduction than the low-INI EA group (P < .05) and greater peak knee valgus, pKVM, and knee valgus at pKVM than the moderate- (P < .05) and low- (P < .05) INI EA groups. Women were more likely than men to be in the high-INI EA group (χ(2) = 4.909, P = .03). Sagittal-plane knee and frontal-plane hip INI EA (r = 0.301, P = .006) and sagittal-plane and frontal-plane ankle INI EA were associated (r = 0.224, P = .04). No other interplanar INI EA relationships were found (P > .05). Greater frontal-plane INI EA was associated with less favorable frontal-plane biomechanics that likely result in greater ACL loading. Women were more likely than men to use greater frontal-plane INI EA. The magnitudes of sagittal- and frontal-plane INI EA were largely independent.

Quantum dynamics of the vibrations of helium bound to the nanosurface of a large planar organic molecule: phthalocyanine . He van der Waals complex.

PubMed

Gibbons, Brittney R; Xu, Minzhong; Bacić, Zlatko

2009-04-23

We report rigorous quantum three-dimensional calculations of highly excited intermolecular vibrational states of the van der Waals (vdW) complex phthalocyanine.He (Pc.He). The Pc molecule was treated as rigid and the intermolecular potential energy surface (IPES) was represented as a sum of atom-atom Lennard-Jones pair potentials. The IPES has four equivalent global minima on the diagonals of the square-shaped Pc, inside its five-membered rings, and four slightly shallower local minima between them, creating a distinctive corrugation pattern of the molecular nanosurface. The vdW vibrational states analyzed in this work extend to about two-thirds of the well depth of the IPES. For the assignment of the in-plane (xy) vdW vibrational excitations it was necessary to resort to two sets of quantum numbers, the Cartesian quantum numbers [nu(x), nu(y)] and the quantum numbers (v, l) of the 2D isotropic oscillator, depending on the nodal structure and the symmetry of the wave functions. The delocalization of the He atom parallel to the molecular surface is large already in the ground vdW state. It increases rapidly with the number of quanta in the in-plane vdW vibrations, with the maximum root-mean-square amplitudes Deltax and Deltay of about 7 au at the excitation energies around 40 cm(-1). The wave functions of the highly excited states tend to be delocalized over the entire nanosurface and often have a square shape, reflecting that of the substrate.

Radiopurity assessment of the energy readout for the NEXT double beta decay experiment

NASA Astrophysics Data System (ADS)

Cebrián, S.; Pérez, J.; Bandac, I.; Labarga, L.; Álvarez, V.; Azevedo, C. D. R.; Benlloch-Rodríguez, J. M.; Borges, F. I. G. M.; Botas, A.; Cárcel, S.; Carrión, J. V.; Conde, C. A. N.; Díaz, J.; Diesburg, M.; Escada, J.; Esteve, R.; Felkai, R.; Fernandes, L. M. P.; Ferrario, P.; Ferreira, A. L.; Freitas, E. D. C.; Goldschmidt, A.; Gómez-Cadenas, J. J.; González-Díaz, D.; Gutiérrez, R. M.; Hauptman, J.; Henriques, C. A. O.; Hernandez, A. I.; Hernando Morata, J. A.; Herrero, V.; Jones, B. J. P.; Laing, A.; Lebrun, P.; Liubarsky, I.; López-March, N.; Losada, M.; Martín-Albo, J.; Martínez-Lema, G.; Martínez, A.; McDonald, A. D.; Monrabal, F.; Monteiro, C. M. B.; Mora, F. J.; Moutinho, L. M.; Muñoz Vidal, J.; Musti, M.; Nebot-Guinot, M.; Novella, P.; Nygren, D. R.; Palmeiro, B.; Para, A.; Querol, M.; Renner, J.; Ripoll, L.; Rodríguez, J.; Rogers, L.; Santos, F. P.; dos Santos, J. M. F.; Simón, A.; Sofka, C.; Sorel, M.; Stiegler, T.; Toledo, J. F.; Torrent, J.; Tsamalaidze, Z.; Veloso, J. F. C. A.; Villar, J. A.; Webb, R.; White, J. T.; Yahlali, N.

2017-08-01

The "Neutrino Experiment with a Xenon Time-Projection Chamber" (NEXT) experiment intends to investigate the neutrinoless double beta decay of 136Xe, and therefore requires a severe suppression of potential backgrounds. An extensive material screening and selection process was undertaken to quantify the radioactivity of the materials used in the experiment. Separate energy and tracking readout planes using different sensors allow us to combine the measurement of the topological signature of the event for background discrimination with the energy resolution optimization. The design of radiopure readout planes, in direct contact with the gas detector medium, was especially challenging since the required components typically have activities too large for experiments demanding ultra-low background conditions. After studying the tracking plane, here the radiopurity control of the energy plane is presented, mainly based on gamma-ray spectroscopy using ultra-low background germanium detectors at the Laboratorio Subterr&aposaneo de Canfranc (Spain). All the available units of the selected model of photomultiplier have been screened together with most of the components for the bases, enclosures and windows. According to these results for the activity of the relevant radioisotopes, the selected components of the energy plane would give a contribution to the overall background level in the region of interest of at most 2.4×10-4 counts keV-1 kg-1 y-1, satisfying the sensitivity requirements of the NEXT experiment.

Probing Nitrosyl Ligation of Surface-Confined Metalloporphyrins by Inelastic Electron Tunneling Spectroscopy

PubMed Central

2013-01-01

Complexes obtained by the ligation of nitric oxide (NO) to metalloporphyrins represent important model systems with biological relevance. Herein we report a molecular-level investigation of surface-confined cobalt tetraphenyl porphyrin (Co-TPP) species and their interaction with NO under ultrahigh vacuum conditions. It is demonstrated that individual NO adducts can be desorbed using the atomically sharp tip of a scanning tunneling microscope, whereby a writing process is implemented for fully saturated regular metalloporphyrin arrays. The low-energy vibrational characteristics of individual Co-TPP-nitrosyl complexes probed by inelastic electron tunneling spectroscopy (IETS) reveal a prominent signature at an energy of ≃31 meV. Using density functional theory-based IETS simulations—the first to be performed on such an extensive interfacial nanosystem—we succeed to reproduce the low-frequency spectrum for the NO-ligated complex and explain the absence of IETS activity for bare Co-TPP. Moreover, we can conclusively assign the IETS peak of NO-Co-TPP to a unique vibration mode involving the NO complexation site, namely, the in-plane Co–N–O rocking mode. In addition, we verify that the propensity rules previously designed on small aromatic systems and molecular fragments hold true for a metal–organic entity. This work notably permits one to envisage IETS spectroscopy as a sensitive tool to chemically characterize hybrid interfaces formed by complex metal–organic units and gaseous adducts. PMID:23718257

Procedure for estimating fracture energy from fracture surface roughness

DOEpatents

Williford, Ralph E.

1989-01-01

The fracture energy of a material is determined by first measuring the length of a profile of a section through a fractured surface of the material taken on a plane perpendicular to the mean plane of that surface, then determining the fractal dimensionality of the surface. From this, the yield strength of the material, and the Young's Modulus of that material, the fracture energy is calculated.

Coherent states on the m-sheeted complex plane as m-photon states

NASA Technical Reports Server (NTRS)

Vourdas, Apostolos

1994-01-01

Coherent states on the m-sheeted complex plane are introduced and properties like overcompleteness and resolution of the identity are studied. They are eigenstates of the operators a(sub m)(+), a(sub m) which create and annihilate clusters of m-particles. Applications of this formalism in the study of Hamiltonians that describe m-particle clustering are also considered.

Sibling Curves and Complex Roots 2: Looking Ahead

ERIC Educational Resources Information Center

Harding, Ansie; Engelbrecht, Johann

2007-01-01

This paper, the second of a two part article, expands on an idea that appeared in literature in the 1950s to show that by restricting the domain to those complex numbers that map onto real numbers, representations of functions other than the ones in the real plane are obtained. In other words, the well-known curves in the real plane only depict…

MAGIC reveals a complex morphology within the unidentified gamma-ray source HESS J1857+026

NASA Astrophysics Data System (ADS)

MAGIC Collaboration; Aleksić, J.; Ansoldi, S.; Antonelli, L. A.; Antoranz, P.; Babic, A.; Bangale, P.; Barres de Almeida, U.; Barrio, J. A.; Becerra González, J.; Bednarek, W.; Bernardini, E.; Biland, A.; Blanch, O.; Bonnefoy, S.; Bonnoli, G.; Borracci, F.; Bretz, T.; Carmona, E.; Carosi, A.; Carreto Fidalgo, D.; Colin, P.; Colombo, E.; Contreras, J. L.; Cortina, J.; Covino, S.; Da Vela, P.; Dazzi, F.; De Angelis, A.; De Caneva, G.; De Lotto, B.; Delgado Mendez, C.; Doert, M.; Domínguez, A.; Dominis Prester, D.; Dorner, D.; Doro, M.; Einecke, S.; Eisenacher, D.; Elsaesser, D.; Farina, E.; Ferenc, D.; Fonseca, M. V.; Font, L.; Frantzen, K.; Fruck, C.; García López, R. J.; Garczarczyk, M.; Garrido Terrats, D.; Gaug, M.; Godinović, N.; González Muñoz, A.; Gozzini, S. R.; Hadasch, D.; Hayashida, M.; Herrera, J.; Herrero, A.; Hildebrand, D.; Hose, J.; Hrupec, D.; Idec, W.; Kadenius, V.; Kellermann, H.; Klepser, S.; Kodani, K.; Konno, Y.; Krause, J.; Kubo, H.; Kushida, J.; La Barbera, A.; Lelas, D.; Lewandowska, N.; Lindfors, E.; Lombardi, S.; López, M.; López-Coto, R.; López-Oramas, A.; Lorenz, E.; Lozano, I.; Makariev, M.; Mallot, K.; Maneva, G.; Mankuzhiyil, N.; Mannheim, K.; Maraschi, L.; Marcote, B.; Mariotti, M.; Martínez, M.; Mazin, D.; Menzel, U.; Meucci, M.; Miranda, J. M.; Mirzoyan, R.; Moralejo, A.; Munar-Adrover, P.; Nakajima, D.; Niedzwiecki, A.; Nilsson, K.; Nishijima, K.; Noda, K.; Nowak, N.; de Oña Wilhelmi, E.; Orito, R.; Overkemping, A.; Paiano, S.; Palatiello, M.; Paneque, D.; Paoletti, R.; Paredes, J. M.; Paredes-Fortuny, X.; Partini, S.; Persic, M.; Prada, F.; Prada Moroni, P. G.; Prandini, E.; Preziuso, S.; Puljak, I.; Reinthal, R.; Rhode, W.; Ribó, M.; Rico, J.; Rodriguez Garcia, J.; Rügamer, S.; Saggion, A.; Saito, T.; Saito, K.; Satalecka, K.; Scalzotto, V.; Scapin, V.; Schultz, C.; Schweizer, T.; Shore, S. N.; Sillanpää, A.; Sitarek, J.; Snidaric, I.; Sobczynska, D.; Spanier, F.; Stamatescu, V.; Stamerra, A.; Steinbring, T.; Storz, J.; Strzys, M.; Sun, S.; Surić, T.; Takalo, L.; Takami, H.; Tavecchio, F.; Temnikov, P.; Terzić, T.; Tescaro, D.; Teshima, M.; Thaele, J.; Tibolla, O.; Torres, D. F.; Toyama, T.; Treves, A.; Uellenbeck, M.; Vogler, P.; Wagner, R. M.; Zandanel, F.; Zanin, R.

2014-11-01

Aims: HESS J1857+026 is an extended TeV gamma-ray source that was discovered by H.E.S.S. as part of its Galactic plane survey. Given its broadband spectral energy distribution and its spatial coincidence with the young energetic pulsar PSR J1856+0245, the source has been put forward as a pulsar wind nebula (PWN) candidate. MAGIC has performed follow-up observations aimed at mapping the source down to energies approaching 100 GeV in order to better understand its complex morphology. Methods: HESS J1857+026 was observed by MAGIC in 2010, yielding 29 h of good quality stereoscopic data that allowed us to map the source region in two separate ranges of energy. Results: We detected very-high-energy gamma-ray emission from HESS J1857+026 with a significance of 12σ above 150 GeV. The differential energy spectrum between 100 GeV and 13 TeV is described well by a power law function dN/dE = N0(E/1TeV)-Γ with N0 = (5.37 ± 0.44stat ± 1.5sys) × 10-12 (TeV-1 cm-2 s-1) and Γ = 2.16 ± 0.07stat ± 0.15sys, which bridges the gap between the GeV emission measured by Fermi-LAT and the multi-TeV emission measured by H.E.S.S.. In addition, we present a detailed analysis of the energy-dependent morphology of this region. We couple these results with archival multiwavelength data and outline evidence in favor of a two-source scenario, whereby one source is associated with a PWN, while the other could be linked with a molecular cloud complex containing an Hii region and a possible gas cavity.

EUV lithography reticles fabricated without the use of a patterned absorber

DOEpatents

Stearns, Daniel G.; Sweeney, Donald W.; Mirkarimi, Paul B.

2006-05-23

Absorber material used in conventional EUVL reticles is eliminated by introducing a direct modulation in the complex-valued reflectance of the multilayer. A spatially localized energy source such as a focused electron or ion beam directly writes a reticle pattern onto the reflective multilayer coating. Interdiffusion is activated within the film by an energy source that causes the multilayer period to contract in the exposed regions. The contraction is accurately determined by the energy dose. A controllable variation in the phase and amplitude of the reflected field in the reticle plane is produced by the spatial modulation of the multilayer period. This method for patterning an EUVL reticle has the advantages (1) avoiding the process steps associated with depositing and patterning an absorber layer and (2) providing control of the phase and amplitude of the reflected field with high spatial resolution.

Method for fabricating reticles for EUV lithography without the use of a patterned absorber

DOEpatents

Stearns, Daniel G [Los Altos, CA; Sweeney, Donald W [San Ramon, CA; Mirkarimi, Paul B [Sunol, CA

2003-10-21

Absorber material used in conventional EUVL reticles is eliminated by introducing a direct modulation in the complex-valued reflectance of the multilayer. A spatially localized energy source such as a focused electron or ion beam directly writes a reticle pattern onto the reflective multilayer coating. Interdiffusion is activated within the film by an energy source that causes the multilayer period to contract in the exposed regions. The contraction is accurately determined by the energy dose. A controllable variation in the phase and amplitude of the reflected field in the reticle plane is produced by the spatial modulation of the multilayer period. This method for patterning an EUVL reticle has the advantages of (1) avoiding the process steps associated with depositing and patterning an absorber layer and (2) providing control of the phase and amplitude of the reflected field with high spatial resolution.

N* resonances from K $$\\Lambda$$ Λ amplitudes in sliced bins in energy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anisovich, A. V.; Burkert, V.; Hadžimehmedović, M.

The two reactionsmore » $$\\gamma p\\to K^+\\Lambda$$ and $$\\pi^-p\\to K^0\\Lambda$$ are analyzed to determine the leading photoproduction multipoles and the pion-induced partial wave amplitudes in slices of the invariant mass. The multipoles and the partial-wave amplitudes are simultaneously fitted in a multichannel Laurent+Pietarinen model (L+P model), which determines the poles in the complex energy plane on the second Riemann sheet close to the physical axes. The results from the L+P fit are compared with the results of an energy-dependent fit based on the Bonn-Gatchina (BnGa) approach. The study confirms the existence of several poles due to nucleon resonances in the region at about 1.9\\,GeV with quantum numbers $J^P = 1/2^+$, $3/2^+, 1/2^-, 3/2^-, 5/2^-$.« less

N* resonances from K $$\\Lambda$$ Λ amplitudes in sliced bins in energy

DOE PAGES

Anisovich, A. V.; Burkert, V.; Hadžimehmedović, M.; ...

2017-12-22

The two reactionsmore » $$\\gamma p\\to K^+\\Lambda$$ and $$\\pi^-p\\to K^0\\Lambda$$ are analyzed to determine the leading photoproduction multipoles and the pion-induced partial wave amplitudes in slices of the invariant mass. The multipoles and the partial-wave amplitudes are simultaneously fitted in a multichannel Laurent+Pietarinen model (L+P model), which determines the poles in the complex energy plane on the second Riemann sheet close to the physical axes. The results from the L+P fit are compared with the results of an energy-dependent fit based on the Bonn-Gatchina (BnGa) approach. The study confirms the existence of several poles due to nucleon resonances in the region at about 1.9\\,GeV with quantum numbers $J^P = 1/2^+$, $3/2^+, 1/2^-, 3/2^-, 5/2^-$.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Makarewicz, Jan, E-mail: jama@amu.edu.pl; Shirkov, Leonid

The pyridine-Ar (PAr) van der Waals (vdW) complex is studied using a high level ab initio method. Its structure, binding energy, and intermolecular vibrational states are determined from the analytical potential energy surface constructed from interaction energy (IE) values computed at the coupled cluster level of theory with single, double, and perturbatively included triple excitations with the augmented correlation consistent polarized valence double-ζ (aug-cc-pVDZ) basis set complemented by midbond functions. The structure of the complex at its global minimum with Ar at a distance of 3.509 Å from the pyridine plane and shifted by 0.218 Å from the center ofmore » mass towards nitrogen agrees well with the corresponding equilibrium structure derived previously from the rotational spectrum of PAr. The PAr binding energy D{sub e} of 392 cm{sup −1} is close to that of 387 cm{sup −1} calculated earlier at the same ab initio level for the prototypical benzene-Ar (BAr) complex. However, under an extension of the basis set, D{sub e} for PAr becomes slightly lower than D{sub e} for BAr. The ab initio vdW vibrational energy levels allow us to estimate the reliability of the methods for the determination of the vdW fundamentals from the rotational spectra. To disclose the character of the intermolecular interaction in PAr, the symmetry-adapted perturbation theory (SAPT) is employed for the analysis of different physical contributions to IE. It is found that SAPT components of IE can be approximately expressed in the binding region by only two of them: the exchange repulsion and dispersion energy. The total induction effect is negligible. The interrelations between various SAPT components found for PAr are fulfilled for a few other complexes involving aromatic molecules and Ar or Ne, which indicates that they are valid for all rare gas (Rg) atoms and aromatics.« less

Hanbury-Brown and Twiss correlations between pion pairs from gold + gold collisions at 6, 8, and 10.8 GeV/u

NASA Astrophysics Data System (ADS)

Holzman, Burt

The E917 experiment studied Au+Au collisions at beam energies of 6, 8, and 10.8 GeV per nucleon at the Alternating Gradient Synchrotron at Brookhaven National Laboratory in New York. Hanbury-Brown and Twiss correlations between pion pairs were investigated in order to determine the spatiotemporal structure of the collision region which serves as the source for these produced particles. Three separate correlation analyses were carried out in this work. One-dimensional correlation radii and their dependence on beam energy are measured. No systematic trends with energy are observed, and the overall radius roughly corresponds to the geometric size of the collision zone. In a simple model, three-dimensional correlation radii which assume an azimuthally asymmetric source are determined at the full beam energy of 10.8 GeV/u. The radius transverse to the beam direction along the reaction plane is compared to the transverse radius orthogonal to the reaction plane. A small difference is observed between the two radii. In a state-of-the-art model, it is possible to determine the ``lengths of homogeneity'' of the collision zone without invoking the assumptions inherent in the simple model, six-dimensional correlation radii are determined at the full beam energy of 10.8 GeV/u, and consequently the in-plane length of homogeneity, out-of- plane length, longitudinal length, and emission duration of the source are determined. Additionally, the magnitude of the tilt of the collision region in the reaction plane is measured and found to be -31° +/- 32°. The measurement of the in-plane and out-of-plane homogeneity lengths is not sensitive enough to distinguish between an oblate or prolate source, but provides a blueprint for future statistics-rich analyses to follow.

Size Reduction of Hamiltonian Matrix for Large-Scale Energy Band Calculations Using Plane Wave Bases

NASA Astrophysics Data System (ADS)

Morifuji, Masato

2018-01-01

We present a method of reducing the size of a Hamiltonian matrix used in calculations of electronic states. In the electronic states calculations using plane wave basis functions, a large number of plane waves are often required to obtain precise results. Even using state-of-the-art techniques, the Hamiltonian matrix often becomes very large. The large computational time and memory necessary for diagonalization limit the widespread use of band calculations. We show a procedure of deriving a reduced Hamiltonian constructed using a small number of low-energy bases by renormalizing high-energy bases. We demonstrate numerically that the significant speedup of eigenstates evaluation is achieved without losing accuracy.

Adsorption and substitution effects of Mg on the growth of calcium sulfate hemihydrate: An ab initio DFT study

NASA Astrophysics Data System (ADS)

Xin, Yan; Hou, S. C.; Xiang, Lan; Yu, Yang-Xin

2015-12-01

Calcium sulfate hemihydrate (CaSO4·0.5H2O, CSH) whiskers with high aspect ratio are promising reinforce materials which have drawn much attention. In order to obtain high quality CSH materials, effect of Mg2+ ions on properties of the (0 0 2), (2 0 0)1 and (2 0 0)2 planes of CSH is investigated using an ab initio density functional theory (DFT) with a van der Waals (vdW) dispersion-correction. The computed results show that strong adsorption and substitution effects take place between Mg2+ ion and (2 0 0)1 plane. The adsorption energies of an Mg2+ ion on the (0 0 2), (2 0 0)1 and (2 0 0)2 planes are -0.066, -0.571 and -0.047 eV, respectively. An insight into the electrostatic potential of pristine CSH planes has demonstrated that the (2 0 0)1 plane is much more negatively charged than the (0 0 2) and (2 0 0)2 planes. The energies of the substitution of a Ca atom with an Mg atom on the CSH (0 0 2), (2 0 0)1 and (2 0 0)2 planes are 1.572, 0.063 and 1.349 eV, respectively. It is found that Ca atoms on the (2 0 0)1 plane are relatively easy to be substituted by Mg atoms. The calculation results of a Ca2+ ion adsorption on the Mg-doped (2 0 0)1 plane indicate that the adsorption energies increase apparently as the doping ratio varies from 0 to 1.0. Compared with K+, Na+ and Al3+ ions, Mg2+ ion is the most promising additive to promote the growth of CSH along c axis.

Periodic structure with a periodicity of 2-3.5 μm on crystalline TiO2 induced by unpolarized KrF excimer lasers

NASA Astrophysics Data System (ADS)

He, Rong; Ma, Hongliang; Zheng, Jiahui; Han, Yongmei; Lu, Yuming; Cai, Chuanbing

2016-08-01

Laser-induced periodic surface structures (LIPSS) were processed on the TiO2 bulk surface under the irradiation of 248 nm unpolarized KrF excimer laser pulses in air. Spatial LIPSS periods ranging from 2 to 3.5 μm are ascribed to the capillary wave. These microstructures were analyzed at different laser pulse numbers with the laser energy from 192 to 164 mJ. The scanning electron microscopy results indicated eventually stripes that have been disrupted as the increase in the laser pulse numbers, which is reasonably explained by the energy accumulating effect. In addition, investigations were concentrated on the surface modifications at pre-focal plane, focal plane and post-focal plane in the same defocusing amount. Compared with condition at pre-focal plane, in addition to the plasma produced at target, the air was also breakdown for the situation of post-focal plane. So it was reasonable that stripes appeared at pre-focal plane but not at post-focal plane.

Molecular dynamics simulations of shock waves in oriented nitromethane single crystals: plane-specific effects.

PubMed

He, Lan; Sewell, Thomas D; Thompson, Donald L

2012-01-21

Molecular dynamics simulations of supported shock waves (shock pressure P(s) ∼ 15 GPa) propagating along the [110], [011], [101], and [111] directions in crystalline nitromethane initially at T = 200 K were performed using the nonreactive Sorescu-Rice-Thompson force field [D. C. Sorescu, B. M. Rice, and D. L. Thompson, J. Phys. Chem. B 104, 8406 (2000)]. These simulations, combined with those from a preceding study of shocks propagating along [100], [010], and [001] directions in nitromethane for similar conditions of temperature and shock pressure [L. He, T. D. Sewell, and D. L. Thompson, J. Chem. Phys. 134, 124506 (2011)], have been used to study the post-shock relaxation phenomena. Shocks along [010] and [101] lead to a crystal-crystal structure transformation. Shocks propagating along [011], [110], [111], [100], and [001] exhibit plane-specific disordering, which was characterized by calculating as functions of time the 1D mean square displacement (MSD), 2D radial distribution function (RDF), and 2D orientation order parameter P(2)(θ) in orthogonal planes mutually perpendicular to the shock plane; and by calculating as functions of distance behind the shock front the Cartesian components of intermolecular, intramolecular, and total kinetic energies. The 2D RDF results show that the structural disordering for shocks along [100], [110], and [111] is strongly plane-specific; whereas for shocks along [001] and [011], the loss of crystal structural order is almost equivalent in the orthogonal planes perpendicular to the shock plane. Based on the entire set of simulations, there is a trend for the most extensive disordering to occur in the (010) and (110) planes, less extensive disordering to occur in the (100) plane, and essentially no disordering to occur in the (001) plane. The 2D P(2)(θ) and 1D MSD profiles show, respectively, that the orientational and translational disordering is plane-specific, which results in the plane-specific structural disordering observed in the 2D RDF. By contrast, the kinetic energy partitioning and redistribution do not exhibit plane specificity, as shown by the similarity of spatial profiles of the Cartesian components of the intermolecular, intramolecular, and total kinetic energies in orthogonal planes perpendicular to the shock plane. © 2012 American Institute of Physics

Microwave spectroscopy of 2-(trifluoromethyl)pyridine⋯water complex: Molecular structure and hydrogen bond

NASA Astrophysics Data System (ADS)

Li, Xiaolong; Zheng, Yang; Gou, Qian; Feng, Gang; Xia, Zhining

2018-01-01

In order to explore the -CF3 substitution effect on the complexation of pyridine, we investigated the 2-(trifluoromethyl)pyridine⋯water complex by using pulsed jet Fourier transform microwave spectroscopy complemented with quantum chemical calculations. Experimental assignment and ab initio calculations confirmed that the observed complex is stabilized through N⋯H-O and O⋯H-C hydrogen bonds forming a five-membered ring structure. The bonding distance in N⋯H-O is determined to be 2.027(2) Å, whilst that in O⋯H-C interaction is 2.728(2) Å. The quantum theory of atoms in molecules analysis indicates that the interaction energy of N⋯H-O hydrogen bond is ˜22 kJ mol-1 and that for O⋯H-C hydrogen bond is ˜5 kJ mol-1. The water molecule lies almost in the plane of the aromatic ring in the complex. The -CF3 substitution to pyridine quenches the tunneling splitting path of the internal motion of water molecule.

New insights on strain energies in hexagonal systems

NASA Astrophysics Data System (ADS)

Thuinet, Ludovic; Besson, Rémy

2012-06-01

The preferential habit planes of coherent precipitates, strongly influencing alloy properties, can be investigated by direct-space elasticity methods, providing new insight into delicate issues such as elastic inhomogeneities or anharmonicity. Focusing on the poorly known hexagonal system, this work enlightens important trends overlooked hitherto, such as the critical role of C44, leading to the identification of distinct families of hexagonal alloys for precipitation. Moreover, it demonstrates the complex influence of inhomogeneities for real, finite-thickness morphologies. Finally, it provides the missing material required for atomic-scale studies of precipitation in low-symmetry systems with long-range interactions.

Longhorn Business Jets

NASA Technical Reports Server (NTRS)

1980-01-01

Developed in NASA's Aircraft Energy Efficiency program and manufactured by Gates Learjet Corporation, the winglet is an aerodynamic innovation designed to reduce fuel consumption and improve airplane performance. Winglets are lifting surfaces designed to operate in the "vortex" or air whirlpool which occurs at an airplane's wingtip. Complex flow of air around wingtip creates drag which retards the plane's progress. Winglet reduces strength of vortex and thereby reduces strength of drag. Additionally, winglet generates its own lift, producing forward thrust in the manner of a boat's sail. Combination of reduced drag and additional thrust adds up to significant improvement in fuel efficiency.

Study on the propagation properties of laser in aerosol based on Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Leng, Kun; Wu, Wenyuan; Zhang, Xi; Gong, Yanchun; Yang, Yuntao

2018-02-01

When laser propagate in the atmosphere, due to aerosol scattering and absorption, laser energy will continue to decline, affecting the effectiveness of the laser effect. Based on the Monte Carlo method, the relationship between the photon spatial energy distributions of the laser wavelengths of 10.6μm in marine, sand-type, water-soluble and soot aerosols ,and the propagation distance, visibility and the divergence angle were studied. The results show that for 10.6μm laser, the maximum number of attenuation of photons arriving at the receiving plane is sand-type aerosol, the minimal attenuation is water soluble aerosol; as the propagation distance increases, the number of photons arriving at the receiving plane decreases; as the visibility increases, the number of photons arriving at the receiving plane increases rapidly and then stabilizes; in the above cases, the photon energy distribution does not deviated from the Gaussian distribution; as the divergence angle increases, the number of photons arriving at the receiving plane is almost unchanged, but the photon energy distribution gradually deviates from the Gaussian distribution.

Electromagnetic absorption in a multilayered slab model of tissue under near-field exposure conditions.

PubMed

Chatterjee, I; Hagmann, M J; Gandhi, O P

1980-01-01

The electromagnetic energy deposited in a semi-infinite slab model consisting of skin, fat, and muscle layers is calculated for both plane-wave and near-field exposures. The plane-wave spectrum (PWS) approach is used to calculate the energy deposited in the model by fields present due to leakage from equipment using electromagnetic energy. This analysis applies to near-field exposures where coupling of the target to the leakage source can be neglected. Calculations were made for 2,450 MHz, at which frequency the layered slab adequately models flat regions of the human body. Resonant absorption due to layering is examined as a function of the skin and fat thicknesses for plane-wave exposure and as a function of the physical extent of the near-field distribution. Calculations show that for fields that are nearly constant over at least a free-space wavelength, the energy deposition (for skin, fat, and muscle combination that gives resonant absorption) is equal to or less than that resulting from plane-wave exposure, but is appreciably greater than that obtained for a homogeneous muscle slab model.

Substrate temperature effect on the structural anisotropy in amorphous Tb-Fe films

NASA Astrophysics Data System (ADS)

Harris, V. G.; Hellman, F.; Elam, W. T.; Koon, N. C.

1993-05-01

Using extended x-ray absorption fine structures (EXAFS) measurements we have investigated the atomic environment around the Fe atom in a series of amorphous Tb0.26Fe0.74 films having different magnetic anisotropy energies owing to different deposition temperatures. The polarization properties of synchrotron radiation allowed the separate study of structure parallel and perpendicular to the sample plane. An anisotropy between these two structures was observed. Modeling results indicate this anisotropy is due to anisotropic pair correlations where the Fe-Fe pairs are statistically preferred in-plane and the Fe-Tb pairs out-of-plane. The amplitude of this anisotropy scales with both the substrate temperature and the magnetic anisotropy energy. A ≊1% in-plane compression of the Fe-Fe distance was measured between the in-plane and out-of-plane structure of the sample grown at 77 K. This sample had no detectable local chemical anisotropy suggesting that intrinsic stress plays an important role in determining its magnetic anisotropy.

Integrated Multi-Color Light Emitting Device Made with Hybrid Crystal Structure

NASA Technical Reports Server (NTRS)

Park, Yeonjoon (Inventor); Choi, Sang Hyouk (Inventor)

2017-01-01

An integrated hybrid crystal Light Emitting Diode ("LED") display device that may emit red, green, and blue colors on a single wafer. The various embodiments may provide double-sided hetero crystal growth with hexagonal wurtzite III-Nitride compound semiconductor on one side of (0001) c-plane sapphire media and cubic zinc-blended III-V or II-VI compound semiconductor on the opposite side of c-plane sapphire media. The c-plane sapphire media may be a bulk single crystalline c-plane sapphire wafer, a thin free standing c-plane sapphire layer, or crack-and-bonded c-plane sapphire layer on any substrate. The bandgap energies and lattice constants of the compound semiconductor alloys may be changed by mixing different amounts of ingredients of the same group into the compound semiconductor. The bandgap energy and lattice constant may be engineered by changing the alloy composition within the cubic group IV, group III-V, and group II-VI semiconductors and within the hexagonal III-Nitrides.

Integrated Multi-Color Light Emitting Device Made with Hybrid Crystal Structure

NASA Technical Reports Server (NTRS)

Park, Yeonjoon (Inventor); Choi, Sang Hyouk (Inventor)

2016-01-01

An integrated hybrid crystal Light Emitting Diode ("LED") display device that may emit red, green, and blue colors on a single wafer. The various embodiments may provide double-sided hetero crystal growth with hexagonal wurtzite III-Nitride compound semiconductor on one side of (0001) c-plane sapphire media and cubic zinc-blended III-V or II-VI compound semiconductor on the opposite side of c-plane sapphire media. The c-plane sapphire media may be a bulk single crystalline c-plane sapphire wafer, a thin free standing c-plane sapphire layer, or crack-and-bonded c-plane sapphire layer on any substrate. The bandgap energies and lattice constants of the compound semiconductor alloys may be changed by mixing different amounts of ingredients of the same group into the compound semiconductor. The bandgap energy and lattice constant may be engineered by changing the alloy composition within the cubic group IV, group III-V, and group II-VI semiconductors and within the hexagonal III-Nitrides.

Distinct charge orders in the planes and chains of ortho-III-ordered YBa2Cu3O(6+δ) superconductors identified by resonant elastic x-ray scattering.

PubMed

Achkar, A J; Sutarto, R; Mao, X; He, F; Frano, A; Blanco-Canosa, S; Le Tacon, M; Ghiringhelli, G; Braicovich, L; Minola, M; Sala, M Moretti; Mazzoli, C; Liang, Ruixing; Bonn, D A; Hardy, W N; Keimer, B; Sawatzky, G A; Hawthorn, D G

2012-10-19

Recently, charge density wave (CDW) order in the CuO(2) planes of underdoped YBa(2)Cu(3)O(6+δ) was detected using resonant soft x-ray scattering. An important question remains: is the chain layer responsible for this charge ordering? Here, we explore the energy and polarization dependence of the resonant scattering intensity in a detwinned sample of YBa(2)Cu(3)O(6.75) with ortho-III oxygen ordering in the chain layer. We show that the ortho-III CDW order in the chains is distinct from the CDW order in the planes. The ortho-III structure gives rise to a commensurate superlattice reflection at Q=[0.33 0 L] whose energy and polarization dependence agrees with expectations for oxygen ordering and a spatial modulation of the Cu valence in the chains. Incommensurate peaks at [0.30 0 L] and [0 0.30 L] from the CDW order in the planes are shown to be distinct in Q as well as their temperature, energy, and polarization dependence, and are thus unrelated to the structure of the chain layer. Moreover, the energy dependence of the CDW order in the planes is shown to result from a spatial modulation of energies of the Cu 2p to 3d(x(2)-y(2)) transition, similar to stripe-ordered 214 cuprates.

Nonreciprocal acoustics and dynamics in the in-plane oscillations of a geometrically nonlinear lattice.

PubMed

Zhang, Zhen; Koroleva, I; Manevitch, L I; Bergman, L A; Vakakis, A F

2016-09-01

We study the dynamics and acoustics of a nonlinear lattice with fixed boundary conditions composed of a finite number of particles coupled by linear springs, undergoing in-plane oscillations. The source of the strongly nonlinearity of this lattice is geometric effects generated by the in-plane stretching of the coupling linear springs. It has been shown that in the limit of low energy the lattice gives rise to a strongly nonlinear acoustic vacuum, which is a medium with zero speed of sound as defined in classical acoustics. The acoustic vacuum possesses strongly nonlocal coupling effects and an orthogonal set of nonlinear standing waves [or nonlinear normal modes (NNMs)] with mode shapes identical to those of the corresponding linear lattice; in contrast to the linear case, however, all NNMs except the one with the highest wavelength are unstable. In addition, the lattice supports two types of waves, namely, nearly linear sound waves (termed "L waves") corresponding to predominantly axial oscillations of the particles and strongly nonlinear localized propagating pulses (termed "NL pulses") corresponding to predominantly transverse oscillating wave packets of the particles with localized envelopes. We show the existence of nonlinear nonreciprocity phenomena in the dynamics and acoustics of the lattice. Two opposite cases are examined in the limit of low energy. The first gives rise to nonreciprocal dynamics and corresponds to collective, spatially extended transverse loading of the lattice leading to the excitation of individual, predominantly transverse NNMs, whereas the second case gives rise to nonreciprocal acoutics by considering the response of the lattice to spatially localized, transverse impulse or displacement excitations. We demonstrate intense and recurring energy exchanges between a directly excited NNM and other NNMs with higher wave numbers, so that nonreciprocal energy exchanges from small-to-large wave numbers are established. Moreover, we show the existence of nonreciprocal wave interaction phenomena in the form of irreversible targeted energy transfers from L waves to NL pulses during collisions of these two types of waves. Additional nonreciprocal acoustics are found in the form of complex "cascading processes, as well as nonreciprocal interactions between L waves and stationary discrete breathers. The computational studies confirm the theoretically predicted transition of the lattice dynamics to a low-energy state of nonlinear acoustic vacum with strong nonlocality.

Optical spectra of La2-xSrxCuO4: Effect of carrier doping on the electronic structure of the CuO2 plane

NASA Astrophysics Data System (ADS)

Uchida, S.; Ido, T.; Takagi, H.; Arima, T.; Tokura, Y.; Tajima, S.

1991-04-01

Optical reflectivity spectra are studied for single crystals of the prototypical high-Tc system La2-xSrxCuO4 over a wide compositional range 0<=x<=0.34, which covers insulating, superconducting, and normal metallic phases. The measurements are made at room temperature over an energy range from 0.004 to 35 eV for the polarization parallel to the CuO2 planes. They are also extended to the perpendicular polarization to study anisotropy and to discriminate the contribution from the CuO2 plane. The present study focuses on the x dependence of the optical spectrum, which makes it possible to sort out the features of the excitations in the CuO2 plane and thus to characterize the electronic structure of the CuO2 plane in the respective phase. Upon doping into the parent insulator La2CuO4 with a charge-transfer energy gap of about 2 eV the spectral weight is rapidly transferred from the charge-transfer excitation to low-energy excitations below 1.5 eV. The low-energy spectrum is apparently composed of two contributions; a Drude-type one peaked at ω=0 and a broad continuum centered in the midinfrared range. The high-Tc superconductivity is realized as doping proceeds and when the transfer of the spectrum weight is saturated. The resulting spectrum in the high-Tc regime is suggestive of a strongly itinerant character of the state in the moderately doped CuO2 plane while appreciable weight remains in the charge-transfer energy region. The spectrum exhibits a second drastic change for heavy doping (x~0.25) corresponding to the superconductor-to-normal-metal transition and becomes close to that of a Fermi liquid. The results are universal for all the known cuprate superconductors including the electron-doped compounds, and they reconcile the dc transport properties with the high-energy spectroscopic results.

Lower Extremity Energy Absorption and Biomechanics During Landing, Part II: Frontal-Plane Energy Analyses and Interplanar Relationships

PubMed Central

Norcross, Marc F.; Lewek, Michael D.; Padua, Darin A.; Shultz, Sandra J.; Weinhold, Paul S.; Blackburn, J. Troy

2013-01-01

Context: Greater sagittal-plane energy absorption (EA) during the initial impact phase (INI) of landing is consistent with sagittal-plane biomechanics that likely increase anterior cruciate ligament (ACL) loading, but it does not appear to influence frontal-plane biomechanics. We do not know whether frontal-plane INI EA is related to high-risk frontal-plane biomechanics. Objective: To compare biomechanics among INI EA groups, determine if women are represented more in the high group, and evaluate interplanar INI EA relationships. Design: Descriptive laboratory study. Setting: Research laboratory. Patients or Other Participants: Participants included 82 (41 men, 41 women; age = 21.0 ± 2.4 years, height = 1.74 ± 0.10 m, mass = 70.3 ± 16.1 kg) healthy, physically active volunteers. Intervention(s): We assessed landing biomechanics with an electromagnetic motion-capture system and force plate. Main Outcome Measure(s): We calculated frontal- and sagittal-plane total, hip, knee, and ankle INI EA. Total frontal-plane INI EA was used to create high, moderate, and low tertiles. Frontal-plane knee and hip kinematics, peak vertical and posterior ground reaction forces, and peak internal knee-varus moment (pKVM) were identified and compared across groups using 1-way analyses of variance. We used a χ2 analysis to evaluate male and female allocation to INI EA groups. We used simple, bivariate Pearson product moment correlations to assess interplanar INI EA relationships. Results: The high–INI EA group exhibited greater knee valgus at ground contact, hip adduction at pKVM, and peak hip adduction than the low–INI EA group (P < .05) and greater peak knee valgus, pKVM, and knee valgus at pKVM than the moderate– (P < .05) and low– (P < .05) INI EA groups. Women were more likely than men to be in the high–INI EA group (χ2 = 4.909, P = .03). Sagittal-plane knee and frontal-plane hip INI EA (r = 0.301, P = .006) and sagittal-plane and frontal-plane ankle INI EA were associated (r = 0.224, P = .04). No other interplanar INI EA relationships were found (P > .05). Conclusions: Greater frontal-plane INI EA was associated with less favorable frontal-plane biomechanics that likely result in greater ACL loading. Women were more likely than men to use greater frontal-plane INI EA. The magnitudes of sagittal- and frontal-plane INI EA were largely independent. PMID:23944381

Preliminary Characterization of Erythrocytes Deformability on the Entropy-Complexity Plane

PubMed Central

Korol, Ana M; D’Arrigo, Mabel; Foresto, Patricia; Pérez, Susana; Martín, Maria T; Rosso, Osualdo A

2010-01-01

We present an application of wavelet-based Information Theory quantifiers (Normalized Total Shannon Entropy, MPR-Statistical Complexity and Entropy-Complexity plane) on red blood cells membrane viscoelasticity characterization. These quantifiers exhibit important localization advantages provided by the Wavelet Theory. The present approach produces a clear characterization of this dynamical system, finding out an evident manifestation of a random process on the red cell samples of healthy individuals, and its sharp reduction of randomness on analyzing a human haematological disease, such as β-thalassaemia minor. PMID:21611139

Exploring Near-Field Radiative Heat Transfer for Thermo-photovoltaic Applications

NASA Astrophysics Data System (ADS)

Ganjeh, Yashar; Song, Bai; Sadat, Seid; Thompson, Dakotah; Fiorino, Anthony; Reddy, Pramod; Meyhofer, Edgar

2014-03-01

Understanding near-field radiative heat transfer (NFRHT) is critical for developing efficient thermo-photovoltaic devices. Theoretical predictions suggest that when the spatial separation of two parallel planes at different temperatures is less than their Wien's thermal wavelength, thermal transport via radiation can be greatly enhanced. The radiative heat flow across nanoscale gaps is predicted to be orders-of-magnitude higher than that given by Stefan-Boltzmann law, due to contribution of evanescent waves. In order to test these predictions, a novel experimental platform was designed and built enabling parallelization of two planar surfaces (50 μm by 50 μm) with 500 microradian resolution in their relative orientation. This platform was used to probe NFRHT between two planes and also between a plane and a sphere. It was found that, when a 50 μm diameter silica sphere was approximately 20 nm away from a 50 by 50 μm2 silica plane, a significant increase in radiative heat transfer coefficient was observed. This increase is 3 orders of magnitude higher than the value predicted by the blackbody limit. Other setups, including Au spheres and planes, and the plane-plane geometries are currently being investigated. 1) Army Research office (W911NF-12-1-0612), 2) NSF Thermal Transport Prcesses (CBET 1235691), 3) Center for Solar and Thermal Energy conversion, funded by the US Department of Energy, Office of Science, Basic Energy Sciences under award no. DE-SC0000957.

Dirac electron in a chiral space-time crystal created by counterpropagating circularly polarized plane electromagnetic waves

NASA Astrophysics Data System (ADS)

Borzdov, G. N.

2017-10-01

The family of solutions to the Dirac equation for an electron moving in an electromagnetic lattice with the chiral structure created by counterpropagating circularly polarized plane electromagnetic waves is obtained. At any nonzero quasimomentum, the dispersion equation has two solutions which specify bispinor wave functions describing electron states with different energies and mean values of momentum and spin operators. The inversion of the quasimomentum results in two other linearly independent solutions. These four basic wave functions are uniquely defined by eight complex scalar functions (structural functions), which serve as convenient building blocks of the relations describing the electron properties. These properties are illustrated in graphical form over a wide range of quasimomenta. The superpositions of two basic wave functions describing different spin states and corresponding to (i) the same quasimomentum (unidirectional electron states with the spin precession) and (ii) the two equal-in-magnitude but oppositely directed quasimomenta (bidirectional electron states) are also treated.

Uranyl ion coordination

USGS Publications Warehouse

Evans, H.T.

1963-01-01

A review of the known crystal structures containing the uranyl ion shows that plane-pentagon coordination is equally as prevalent as plane-square or plane-hexagon. It is suggested that puckered-hexagon configurations of OH - or H2O about the uranyl group will tend to revert to plane-pentagon coordination. The concept of pentagonal coordination is invoked for possible explanations of the complex crystallography of the natural uranyl hydroxides and the unusual behavior of polynuclear ions in hydrolyzed uranyl solutions.

Vibrational motions associated with primary processes in bacteriorhodopsin studied by coherent infrared emission spectroscopy.

PubMed

Groma, Géza I; Colonna, Anne; Martin, Jean-Louis; Vos, Marten H

2011-03-16

The primary energetic processes driving the functional proton pump of bacteriorhodopsin take place in the form of complex molecular dynamic events after excitation of the retinal chromophore into the Franck-Condon state. These early events include a strong electronic polarization, skeletal stretching, and all-trans-to-13-cis isomerization upon formation of the J intermediate. The effectiveness of the photoreaction is ensured by a conical intersection between the electronic excited and ground states, providing highly nonadiabatic coupling to nuclear motions. Here, we study real-time vibrational coherences associated with these motions by analyzing light-induced infrared emission from oriented purple membranes in the 750-1400 cm(-)(1) region. The experimental technique applied is based on second-order femtosecond difference frequency generation on macroscopically ordered samples that also yield information on phase and direction of the underlying motions. Concerted use of several analysis methods resulted in the isolation and characterization of seven different vibrational modes, assigned as C-C stretches, out-of-plane methyl rocks, and hydrogen out-of-plane wags, whereas no in-plane H rock was found. Based on their lifetimes and several other criteria, we deduce that the majority of the observed modes take place on the potential energy surface of the excited electronic state. In particular, the direction sensitivity provides experimental evidence for large intermediate distortions of the retinal plane during the excited-state isomerization process. Copyright © 2011 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Antiferromagnetic structure of exchange-coupled L a0.7S r0.3Fe O3 thin films studied using angle-dependent x-ray absorption spectroscopy

NASA Astrophysics Data System (ADS)

Jia, Yue; Chopdekar, Rajesh V.; Shafer, Padraic; Arenholz, Elke; Liu, Zhiqi; Biegalski, Michael D.; Takamura, Yayoi

2017-12-01

The magnetic structure of exchange-coupled antiferromagnetic (AF) layers in epitaxial L a0.7S r0.3Mn O3 (LSMO)/L a0.7S r0.3Fe O3 (LSFO) superlattices grown on (111)-oriented SrTi O3 substrates was studied using angle-dependent x-ray absorption spectroscopy utilizing linearly polarized x rays. We demonstrate the development of the measurement protocols needed to determine the orientation of the LSFO antiferromagnetic spin axis and how it responds to an applied magnetic field due to exchange interactions with an adjacent ferromagnetic layer. A small energy difference exists between two types of AF order: the majority of the AF moments cant out-of-the-plane of the film along the 110 or 100 directions depending on the LSFO layer thickness. In response to an applied magnetic field, these canted moments are aligned with a single 110 or 100 direction that maintains a nearly perpendicular orientation relative to the LSMO sublayer magnetization. The remaining AF moments lie within the (111 ) plane and these in-plane moments can be reoriented to an arbitrary in-plane direction to lie parallel to the LSMO sublayer magnetization. These results demonstrate that the magnetic order of AF thin films and heterostructures is far more complex than in bulk LSFO and can be tuned with orientation, thickness, and applied magnetic field.

Powered by a laser beam directed at it from a pedestal, a model plane makes the first flight of an aircraft powered by laser energy inside a building at NASA Marshall.

NASA Image and Video Library

2003-09-18

Powered by a laser beam directed at it from a center pedestal, a lightweight model plane makes the first flight of an aircraft powered by laser energy inside a building at NASA's Marshall Space Flight Center.

Successor to the RXTE PCA based upon focusing optics

NASA Astrophysics Data System (ADS)

Gorenstein, Paul

2002-01-01

There is broad interest in a next generation timing mission to succeed the PCA of RXTE which will provide more effective area than its 0.6 square meters and much better energy resolution. Currently prospective missions are, like the PCA, based upon large area detectors. Serious consideration should also be given to a focusing system. The focusing system would be a modular array of relatively small diameter imaging telescopes or concentrators with solid state detectors in their focal planes. For areas exceeding a square meter a focusing system could actually be less complex, more reliable, and for one particular optical design perhaps not much more massive. The total detector area would be only a few percent of the telescope aperture, which makes the acquisition of detectors much less challenging. Today it is possible to obtain commercially a sufficient number of detectors with good energy resolution for all the focal planes of the focusing array. They require only modest cooling and that could be accomplished passively in space. Several optical designs are possible. The disadvantages of an optical system are larger mass, more difficultly obtaining broad bandwidth, smaller field of view, and larger volume to accommodate the focal length distance and a larger diameter. On the other hand, the focusing system is more sensitive to fainter sources, is much more efficient below 2 keV, is less sensitive to background and is likely to be less costly overall than an array of solid state area detectors with equally good energy resolution.

A focal plane detector design for a wide band Laue-lens telescope

NASA Astrophysics Data System (ADS)

Caroli, E.; Auricchio, N.; Bertuccio, G.; Budtz-Jørgensen, C.; Curado da Silva, R. M.; Del Sordo, S.; Frontera, F.; Quadrini, E.; Ubertini, P.; Ventura, G.

2006-06-01

The energy range above 50 keV is important for the study of many open problems in high energy astrophysics such as, non thermal mechanisms in SNR, the study of the high energy cut-offs in AGN spectra, and the detection of nuclear and annihilation lines. In the framework of the definition of a new mission concept for hard X and soft gamma ray (GRI- Gamma Ray Imager) for the next decade, the use of Laue lenses with broad energy band-passes from 100 to 1000 keV is under study. This kind of instruments will be used for deep study the hard X-ray continuum of celestial sources. This new telescope will require focal plane detectors with high detection efficiency over the entire operative range, an energy resolution of few keV at 500 keV and a sensitivity to linear polarization. We describe a possible configuration for the focal plane detector based on CdTe/CZT pixelated layers stacked together to achieve the required detection efficiency at high energy. Each layer can either operate as a separate position sensitive detector and a polarimeter or together with other layers in order to increase the overall full energy efficiency. We report on the current state of art in high Z spectrometers development and on some activities undergoing. Furthermore we describe the proposed focal plane option with the required resources and an analytical summary of the achievable performance in terms of efficiency and polarimetry.

Pad-mode-induced instantaneous mode instability for simple models of brake systems

NASA Astrophysics Data System (ADS)

Oberst, S.; Lai, J. C. S.

2015-10-01

Automotive disc brake squeal is fugitive, transient and remains difficult to predict. In particular, instantaneous mode squeal observed experimentally does not seem to be associated with mode coupling and its mechanism is not clear. The effects of contact pressures, friction coefficients as well as material properties (pressure and temperature dependency and anisotropy) for brake squeal propensity have not been systematically explored. By analysing a finite element model of an isotropic pad sliding on a plate similar to that of a previously reported experimental study, pad modes have been identified and found to be stable using conventional complex eigenvalue analysis. However, by subjecting the model to contact pressure harmonic excitation for a range of pressures and friction coefficients, a forced response analysis reveals that the dissipated energy for pad modes is negative and becomes more negative with increasing contact pressures and friction coefficients, indicating the potential for instabilities. The frequency of the pad mode in the sliding direction is within the range of squeal frequencies observed experimentally. Nonlinear time series analysis of the vibration velocity also confirms the evolution of instabilities induced by pad modes as the friction coefficient increases. By extending this analysis to a more realistic but simple brake model in the form of a pad-on-disc system, in-plane pad-modes, which a complex eigenvalue analysis predicts to be stable, have also been identified by negative dissipated energy for both isotropic and anisotropic pad material properties. The influence of contact pressures on potential instabilities has been found to be more dominant than changes in material properties owing to changes in pressure or temperature. Results here suggest that instantaneous mode squeal is likely caused by in-plane pad-mode instabilities.

The coherent states of the two-dimensional isotropic harmonic oscillator and the classical limit of the Landau theory of a charged particle in a uniform magnetic field

NASA Astrophysics Data System (ADS)

Li, Wangyao; Sebastian, Kunnat

2018-07-01

In this paper we show how the classical result of a charged particle moving in a circle in the xy plane, when a uniform magnetic field is directed along the z-axis, can be derived from the Landau quantum theory using the coherent states of the two-dimensional isotropic harmonic oscillator in the xy plane. The coherent states in this case are the simultaneous eigen vectors of the annihilation operators a + and a ‑. We prove that the time-dependent coordinate space wave packets representing the time-dependent coherent states move in a circle with the cyclotron frequency {ω }c=\\tfrac{| q| B}{m} and with a radius given by the classical expression, but given in terms of the quantum mechanical expectation values. The expectation value of the energy of the particle and of the square of the radius of its circular are proportional to the square of the magnitude of the eigen value of a + in the coherent state, where as the x and y coordinates of the centre of the circle are proportional to the real and the imaginary parts of the eigen value of a ‑. The phase of the circular motion is the same as the phase of the complex eigen value of a +. So for a given energy of the particle or for a given radius of the circular orbit, there are an infinite number of circles which differ from each other by the x and y coordinates of the centre as well as the phase of the circular motion. The infinite degeneracy of the Landau levels is due to the invariance of the energy eigen values under spatial translations in the xy plane and rotations about the z-axis. We also show that as the magnitude of the eigen value of a + becomes much larger than one, the relative uncertainty or fluctuation in the energy and in the radius of the circular orbit becomes negligibly small as we expect for a classical state.

Significance of out-of-plane electronic contributions in Bi-cuprates studied by resonant photoelectron spectroscopy at the Cu2p edge

NASA Astrophysics Data System (ADS)

Janowitz, Christoph; Schmeißer, Dieter

2018-04-01

In high-temperature superconductors with a layered crystal structure, the copper-oxygen planes are commonly considered to dominate the electronic properties around the Fermi energy. As a consequence, out-of-plane contributions are often neglected in the description of these materials. Here we report on a resonant photoemission study of Pb0,4Bi1,6Sr2,0CaCu2O8 ((Pb, Bi)-2212) and Pb0,6Bi1,4Sr1.5La0.5CuO6 ((Pb, Bi)-2201)) single crystals to unravel the resonant decay mechanisms at the Cu2p absorption edge. We find evidence for a pronounced polarization dependence caused by two different Auger processes for in-plane and out-of-plane orientations. We deduce that the lowest energy valence state—which is involved in the two Auger processes—consists of three-dimensional contributions by admixed out-of-plane Sr, Bi, and O2p states. It also suggests that the doping-induced charge density is dynamic, fluctuating within the Cu-O plane, and spills out perpendicular to it. This suggests that out-of-plane electronic degrees of freedom should be included in future consistent theoretical models of these materials.

High resolution jet-cooled infrared absorption spectra of (HCOOH)2, (HCOOD)2, and HCOOH—HCOOD complexes in 7.2 μm region

NASA Astrophysics Data System (ADS)

Zhang, Yuluan; Li, Wenguang; Luo, Wei; Zhu, Yu; Duan, Chuanxi

2017-06-01

The rotationally resolved infrared spectra of (HCOOH)2, (HCOOD)2, and HCOOH—HCOOD complexes have been measured in 7.2 μm region by using a segmented rapid-scan distributed-feedback quantum cascade laser absorption spectrometer to probe a slit supersonic jet expansion. The observed spectra are assigned to the v21 (H—C/O—H in-plane bending) fundamental band of (HCOOH)2, the v15 (H—C/O—D in-plane bending) fundamental band of HCOOH—HCOOD, and the v20 (H—C—O in-plane bending) fundamental band of (HCOOD)2. Strong local perturbations caused by the rotation-tunneling coupling between two tunneling components are observed in (HCOOH)2. The v21 fundamental band of (HCOOH)2 and the previously measured v22 fundamental and v12 + v14 combination bands [K. G. Goroya et al., J. Chem. Phys. 140, 164311 (2014)] are analyzed together, yielding a more precise tunneling splitting in the ground state, 0.011 367(92) cm-1. The band-origin of the v21 band of (HCOOH)2 is 1371.776 74(8) cm-1, and the tunneling splitting decreases to 0.000 38(18) cm-1 upon the vibrational excitation. The vibrational energy is 1386.755 49(16) cm-1 for the v15 vibrational mode of HCOOH—HCOOD and 1391.084 39(17) cm-1 for the v20 vibrational mode of (HCOOD)2. No apparent spectral splittings are resolved for HCOOH—HCOOD and (HCOOD)2 under our experimental conditions. The tunneling splitting in the ground state of HCOOH—HCOOD is estimated to be 0.001 13 cm-1 from its average linewidth.

Distribution of electromagnetic field and group velocities in two-dimensional periodic systems with dissipative metallic components

NASA Astrophysics Data System (ADS)

Kuzmiak, Vladimir; Maradudin, Alexei A.

1998-09-01

We study the distribution of the electromagnetic field of the eigenmodes and corresponding group velocities associated with the photonic band structures of two-dimensional periodic systems consisting of an array of infinitely long parallel metallic rods whose intersections with a perpendicular plane form a simple square lattice. We consider both nondissipative and lossy metallic components characterized by a complex frequency-dependent dielectric function. Our analysis is based on the calculation of the complex photonic band structure obtained by using a modified plane-wave method that transforms the problem of solving Maxwell's equations into the problem of diagonalizing an equivalent non-Hermitian matrix. In order to investigate the nature and the symmetry properties of the eigenvectors, which significantly affect the optical properties of the photonic lattices, we evaluate the associated field distribution at the high symmetry points and along high symmetry directions in the two-dimensional first Brillouin zone of the periodic system. By considering both lossless and lossy metallic rods we study the effect of damping on the spatial distribution of the eigenvectors. Then we use the Hellmann-Feynman theorem and the eigenvectors and eigenfrequencies obtained from a photonic band-structure calculation based on a standard plane-wave approach applied to the nondissipative system to calculate the components of the group velocities associated with individual bands as functions of the wave vector in the first Brillouin zone. From the group velocity of each eigenmode the flow of energy is examined. The results obtained indicate a strong directional dependence of the group velocity, and confirm the experimental observation that a photonic crystal is a potentially efficient tool in controlling photon propagation.

Grain boundary crystallography in polycrystalline yttria-stabilised cubic zirconia

NASA Astrophysics Data System (ADS)

Kini, Maya K.

2018-07-01

Properties of grain boundaries such as grain boundary energy, mobility and diffusion are reported to depend strongly on their crystallography. While studies on ceramic bicrystals with low Σ misorientations have shown highly ordered structures and low energies, studies on dense polycrystalline ceramics often show the significance of grain boundary planes. In the present study, grain boundary plane distributions were studied for yttria-stabilised cubic zirconia with varying grain sizes using Electron Back Scattered Diffraction technique combined with a stereological approach. Despite nearly isotropic grain boundary plane distributions, a highly anisotropic grain boundary character distribution is observed for specific misorientations. Certain low-energy symmetric tilts such as Σ3 and Σ11 are found to occur with high frequencies across the grain size range studied, leading to an inverse correlation between GB energy and frequency of occurrence, consistent with other ceramics studied in literature.

Global stability of plane Couette flow beyond the energy stability limit

NASA Astrophysics Data System (ADS)

Fuentes, Federico; Goluskin, David

2017-11-01

This talk will present computations verifying that the laminar state of plane Couette flow is nonlinearly stable to all perturbations. The Reynolds numbers up to which this globally stability is verified are larger than those at which stability can be proven by the energy method, which is the typical method for demonstrating nonlinear stability of a fluid flow. This improvement is achieved by constructing Lyapunov functions that are more general than the energy. These functions are not restricted to being quadratic, and they are allowed to depend explicitly on the spectrum of the velocity field in the eigenbasis of the energy stability operator. The optimal choice of such a Lyapunov function is a convex optimization problem, and it can be constructed with computer assistance by solving a semidefinite program. This general method will be described in a companion talk by David Goluskin; the present talk focuses on its application to plane Couette flow.

A spectral dynamic stiffness method for free vibration analysis of plane elastodynamic problems

NASA Astrophysics Data System (ADS)

Liu, X.; Banerjee, J. R.

2017-03-01

A highly efficient and accurate analytical spectral dynamic stiffness (SDS) method for modal analysis of plane elastodynamic problems based on both plane stress and plane strain assumptions is presented in this paper. First, the general solution satisfying the governing differential equation exactly is derived by applying two types of one-dimensional modified Fourier series. Then the SDS matrix for an element is formulated symbolically using the general solution. The SDS matrices are assembled directly in a similar way to that of the finite element method, demonstrating the method's capability to model complex structures. Any arbitrary boundary conditions are represented accurately in the form of the modified Fourier series. The Wittrick-Williams algorithm is then used as the solution technique where the mode count problem (J0) of a fully-clamped element is resolved. The proposed method gives highly accurate solutions with remarkable computational efficiency, covering low, medium and high frequency ranges. The method is applied to both plane stress and plane strain problems with simple as well as complex geometries. All results from the theory in this paper are accurate up to the last figures quoted to serve as benchmarks.

Anisotropy Enhancement of Thermal Energy Transport in Supported Black Phosphorene.

PubMed

Chen, Jige; Chen, Shunda; Gao, Yi

2016-07-07

Thermal anisotropy along the basal plane of materials possesses both theoretical importance and application value in thermal transport and thermoelectricity. Though common two-dimensional materials may exhibit in-plane thermal anisotropy when suspended, thermal anisotropy would often disappear when supported on a substrate. In this Letter, we find a strong anisotropy enhancement of thermal energy transport in supported black phosphorene. The chiral preference of energy transport in the zigzag rather than the armchair direction is greatly enhanced by coupling to the substrate, up to a factor of approximately 2-fold compared to the suspended one. The enhancement originates from its puckered lattice structure, where the nonplanar armchair energy transport relies on the out-of-plane corrugation and thus would be hindered by the flexural suppression due to the substrate, while the planar zigzag energy transport is not. As a result, thermal conductivity of supported black phosphorene shows a consistent anisotropy enhancement under different temperatures and substrate coupling strengths.

Structure and function of cytochrome c2 in electron transfer complexes with the photosynthetic reaction center of Rhodobacter sphaeroides: optical linear dichroism and EPR.

PubMed

Drepper, F; Mathis, P

1997-02-11

The photosynthetic reaction center (RC) and its secondary electron donor the water-soluble cytochrome (cyt) c2 from the purple bacterium Rhodobacter sphaeroides have been used in cross-linked and non-cross-linked complexes, oriented in compressed gels or partially dried multilayers, to study the respective orientation of the primary donor P (BChl dimer) and of cyt c2. Three methods were used: (i) Polarized optical absorption spectra at 295 and 10 K were measured and the linear dichroism of the two individual transitions (Qx, Qy), which are nearly degenerate within the alpha-band of reduced cyt c2, was determined. Attribution of the polarization directions to the molecular axes within the heme plane yielded the average cyt orientation in the complexes. (ii) Time-resolved flash absorption measurements using polarized light allowed determination of the orientation of cyt c2 in complexes which differ in their kinetics of electron transfer. (iii) EPR spectroscopy of ferricyt c2 in cross-linked RC-cyt c2 complexes was used to determine the angle between the heme and the membrane plane. The results suggest the following structural properties for the docking of cyt c2 to the RC: (i) In cross-linked complexes, the two cytochromes displaying half-lives of 0.7 and 60 micros for electron transfer to P+ are similarly oriented (difference < 10 degrees). (ii) For cross-linked cyt c2 the heme plane is parallel to the symmetry axis of the RC (0 degrees +/- 10 degrees). Moreover, the Qy transition, which is assumed to be polarized within the ring III-ring I direction of the heme plane, makes an angle of 56 degrees +/- 1 degree with the symmetry axis. (iii) The dichroism spectrum for the fast phase (0.7 micros) for the non-cross-linked cyt c2-RC complex suggests an orientation similar to that of cross-linked cyt c2, but the heme plane is tilted about 20 degrees closer to the membrane. An alternative model is that two or more bound states of cyt c2 with heme plane tilt angles between 0 degrees and 30 degrees allow the fast electron transfer. Zero-length cross-linking of cyt c2 may take place in one of these bound states. These orientations of cyt c2 are compared to different structural models of RC-cyt c2 complexes proposed previously. The relation of the two kinetic phases observed in cross-linked cyt c2 complexes to biphasic kinetics of the mobile reaction partners is discussed with respect to the dynamic electrostatic interactions during the formation of a docking complex and its dissociation. A mechanism is proposed in which a pre-orientation of cyt c2 relative to the membrane plane occurs by interaction of its strong electrostatic dipole with the negative surface charges of the RC. The optimal matching of the oppositely charged surfaces of the two proteins necessitates further rotation of the cyt around its dipole axis.

Restoring The Azimuthal Symmetry Of Charged Particle Lateral Density In The Range Of KASCADE-Grande

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sima, O.; Rebel, H.; Apel, W. D.

2010-11-24

KASCADE-Grande, an extension of the former KASCADE experiment, is a multi-component Extensive Air Shower (EAS) experiment located in Karlsruhe Institute of Technology (Campus North), Germany. An important observable for analyzing the EAS is the lateral density of charged particles in the intrinsic shower plane. This observable is deduced from the basic information provided by the Grande scintillators - the energy deposit - first in the observation plane, by using a Lateral Energy Correction Function (LECF), then in the intrinsic shower plane, by applying an adequate mapping procedure. In both steps azimuthal.

Restoring The Azimuthal Symmetry Of Charged Particle Lateral Density In The Range Of KASCADE-Grande

NASA Astrophysics Data System (ADS)

Sima, O.; Rebel, H.; Apel, W. D.; Arteaga, J. C.; Bekk, K.; Bertaina, M.; Blümer, J.; Bozdog, H.; Brancus, I. M.; Buchholz, P.; Cantoni, E.; Chiavassa, A.; Cossavella, F.; Daumiller, K.; de Souza, V.; di Pierro, F.; Doll, P.; Engel, R.; Engler, J.; Finger, M.; Fuhrmann, D.; Ghia, P. L.; Gils, H. J.; Glasstetter, R.; Grupen, C.; Haungs, A.; Heck, D.; Hörandel, J. R.; Huege, T.; Isar, P. G.; Kampert, K.-H.; Kang, D.; Kickelbick, D.; Klages, H. O.; Link, K.; Łuczak, P.; Ludwig, M.; Mathes, H. J.; Mayer, H. J.; Melissas, M.; Milke, J.; Mitrica, B.; Morello, C.; Navarra, G.; Nehls, S.; Oehlschläger, J.; Ostapchenko, S.; Over, S.; Palmieri, N.; Petcu, M.; Pierog, T.; Roth, M.; Schieler, H.; Schröder, F. G.; Toma, G.; Trinchero, G. C.; Ulrich, H.; Weindl, A.; Wochele, J.; Wommer, M.; Zabierowski, J.

2010-11-01

KASCADE-Grande, an extension of the former KASCADE experiment, is a multi-component Extensive Air Shower (EAS) experiment located in Karlsruhe Institute of Technology (Campus North), Germany. An important observable for analyzing the EAS is the lateral density of charged particles in the intrinsic shower plane. This observable is deduced from the basic information provided by the Grande scintillators-the energy deposit-first in the observation plane, by using a Lateral Energy Correction Function (LECF), then in the intrinsic shower plane, by applying an adequate mapping procedure. In both steps azimuthal.

Nitrogen Molecule-Dimethyl Sulfide Complex Investigated by Fourier Transform Microwave Spectroscopy and AB Initio Calculation

NASA Astrophysics Data System (ADS)

Kawashima, Yoshiyuki; Iwano, Sakae; Hirota, Eizi

2016-06-01

This paper presents an extension of the preceding talk on the FTMW spectroscopy of N_2-ES (ethylene sulfide), namely the results on N_2-DMS (dimethyl sulfide). We have previously investigated two N_2 complexes: N_2-DME (dimethyl ether), for which we reported a prelimanary result, and N_2-EO (ethylene oxide). We have observed the ground-state rotational spectrum of the N_2-DMS complex, i.e. c-type transitions in the frequency region from 5 to 24 GHz, which we assigned to the normal, 15N_2-DMS, and 15NN-DMS species of the N_2-DMS. We have found both the ortho and para states for the 14N_2-DMS and 15N_2-DMS species. In the case of the 15N_2-DMS, some transitions with Ka = 2 and 3 were observed slightly split by the internal rotation of the two methyl tops of the DMS. The observed spectra of the 15N_2-DMS were analyzed by using the XIAM program. In the case of the para state of the 15N_2-DMS, three rotational and five centrifugal distortion constants with the V3 barrier to the methyl group internal rotation, whereas, in the case of the ortho state of the 15N_2-DMS, two more centrifugal distortion constants, ΦJK and ΦKJ, were needed to reproduce the observed spectra. For the N_2-DMS complex, we concluded that the N_2 moiety was located in a plane perpendicular to the C-S-C plane and bisecting the CSC angle of the DMS. We have carried out ab initio molecular orbital calculations at the level of MP2 with basis sets 6-311++G(d, p), aug-cc-pVDZ, and aug-cc-pVTZ, to complement the information on the intracomplex motions obtained from the observed rotational spectra. We have applied a natural bond orbital (NBO) analysis to the N_2-DMS and N_2-ES to calculate the stabilization energy CT (=Δ Eσσ*), which was closely correlated with the binding energy EB, as found for other related complexes. Y. Kawashima, Y. Tatamitani, Y. Morita, and E. Hirota, 61st International Symposium on Molecular Spectroscopy, TE10 (2006) Y. Kawashima and E. Hirota, J. Phys. Chem. A 2013 117, 13855

Dispersive elastic properties of Dzyaloshinskii domain walls

NASA Astrophysics Data System (ADS)

Pellegren, James; Lau, Derek; Sokalski, Vincent

Recent studies on the asymmetric field-driven growth of magnetic bubble domains in perpendicular thin films exhibiting an interfacial Dzyaloshinskii-Moriya interaction (DMI) have provided a wealth of experimental evidence to validate models of creep phenomena, as key properties of the domain wall (DW) can be altered with the application of an external in-plane magnetic field. While asymmetric growth behavior has been attributed to the highly anisotropic DW energy, σ (θ) , which results from the combination of DMI and the in-plane field, many experimental results remain anomalous. In this work, we demonstrate that the anisotropy of DW energy alters the elastic response of the DW as characterized by the surface stiffness, σ (θ) = σ (θ) + σ (θ) , and evaluate the impact of this stiffness on the creep law. We find that at in-plane fields larger than and antiparallel to the effective field due to DMI, the DW stiffness decreases rapidly, suggesting that higher energy walls can actually become more mobile than their low energy counterparts. This result is consistent with experiments on CoNi multilayer films where velocity curves for domain walls with DMI fields parallel and antiparallel to the applied field cross over at high in-plane fields.

Side-to-side asymmetries in landing mechanics from a drop vertical jump test are not related to asymmetries in knee joint laxity following anterior cruciate ligament reconstruction.

PubMed

Meyer, Christophe A G; Gette, Paul; Mouton, Caroline; Seil, Romain; Theisen, Daniel

2018-02-01

Asymmetries in knee joint biomechanics and increased knee joint laxity in patients following anterior cruciate ligament reconstruction (ACLR) are considered risk factors for re-tear or early onset of osteoarthritis. Nevertheless, the relationship between these factors has not been established. The aim of the study was to compare knee mechanics during landing from a bilateral drop vertical jump in patients following ACLR and control participants and to study the relationship between side-to-side asymmetries in landing mechanics and knee joint laxity. Seventeen patients following ACLR were evaluated and compared to 28 healthy controls. Knee sagittal and frontal plane kinematics and kinetics were evaluated using three-dimensional motion capture (200 Hz) and two synchronized force platforms (1000 Hz). Static anterior and internal rotation knee laxities were measured for both groups and legs using dedicated arthrometers. Group and leg differences were investigated using a mixed model analysis of variance. The relationship between side-to-side differences in sagittal knee power/energy absorption and knee joint laxities was evaluated using univariate linear regression. A significant group-by-leg interaction (p = 0.010) was found for knee sagittal plane energy absorption, with patients having 25% lower values in their involved compared to their non-involved leg (1.22 ± 0.39 vs. 1.62 ± 0.40 J kg -1 ). Furthermore, knee sagittal plane energy absorption was 18% lower at their involved leg compared to controls (p = 0.018). Concomitantly, patients demonstrated a 27% higher anterior laxity of the involved knee compared to the non-involved knee, with an average side-to-side difference of 1.2 mm (p < 0.001). Laxity of the involved knee was also 30% higher than that of controls (p < 0.001) (leg-by-group interaction: p = 0.002). No relationship was found between sagittal plane energy absorption and knee laxity. Nine months following surgery, ACLR patients were shown to employ a knee unloading strategy of their involved leg during bilateral landing. However, this strategy was unrelated to their increased anterior knee laxity. Side-to-side asymmetries during simple bilateral landing tasks may put ACLR patients at increased risk of second ACL injury or early-onset osteoarthritis development. Detecting and correcting asymmetric landing strategies is highly relevant in the framework of personalized rehabilitation, which calls for complex biomechanical analyses to be applied in clinical routine. III.

Non-plane-wave Hartree-Fock states and nuclear homework potentials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gutierrez, G.; Plastino, A.; de Llano, M.

1979-12-01

It is shown that non-plane-wave single-particle Hartree-Fock orbitals giving rise to a ''spin-density-wave-like'' structure give lower energy than plane waves beyond a certain relatively low density in both nuclear and neutron matter with homework pair potentials v/sub 1/ and v/sub 2/.

Solar Impulse's Solar-Powered Plane

ScienceCinema

Moniz, Ernest; Piccard, Bertrand; Reicher, Dan

2018-01-16

Solar Impulse lands in Washington, DC at Washington Dulles International Airport as part of its journey across the United States. Secretary Ernest Moniz speaks about how advancements like those at the Department of Energy are leading the way for innovations like the solar-powered plane. Footage of the solar-powered plane courtesy of Solar Impulse.

Solar Impulse's Solar-Powered Plane

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moniz, Ernest; Piccard, Bertrand; Reicher, Dan

Solar Impulse lands in Washington, DC at Washington Dulles International Airport as part of its journey across the United States. Secretary Ernest Moniz speaks about how advancements like those at the Department of Energy are leading the way for innovations like the solar-powered plane. Footage of the solar-powered plane courtesy of Solar Impulse.

Quantum mechanics on the h-deformed quantum plane

NASA Astrophysics Data System (ADS)

Cho, Sunggoo

1999-03-01

We find the covariant deformed Heisenberg algebra and the Laplace-Beltrami operator on the extended h-deformed quantum plane and solve the Schrödinger equations explicitly for some physical systems on the quantum plane. In the commutative limit the behaviour of a quantum particle on the quantum plane becomes that of the quantum particle on the Poincaré half-plane, a surface of constant negative Gaussian curvature. We show that the bound state energy spectra for particles under specific potentials depend explicitly on the deformation parameter h. Moreover, it is shown that bound states can survive on the quantum plane in a limiting case where bound states on the Poincaré half-plane disappear.

Distribution functions of air-scattered gamma rays above isotropic plane sources

DOE Office of Scientific and Technical Information (OSTI.GOV)

Michael, J A; Lamonds, H A

1967-06-01

Using the moments method of Spencer and Fano and a reconstruction technique suggested by Berger, the authors have calculated energy and angular distribution functions for air-scattered gamma rays emitied from infinite-plane isotropic monoenergetic sources as iunctions of source energy, radiation incidence angle at the detector, and detector altitude. Incremental and total buildup factors have been calculated for both number and exposure. The results are presented in tabular form for a detector located at altitudes of 3, 50, 100, 200, 300, 400, 500, and 1000 feet above source planes of 15 discrete energies spanning the range of 0.1 to 3.0 MeV.more » Calculational techniques including results of sensitivity studies are discussed and plots of typical results are presented. (auth)« less

Emergence of reconfigurable wires and spinners via dynamic self-assembly

DOE PAGES

Kokot, Gasper; Piet, David; Whitesides, George M.; ...

2015-03-26

Dissipative colloidal materials use energy to generate and maintain structural complexity. The energy injection rate, and properties of the environment are important control parameters that influence the outcome of dynamic self-assembly. Here we demonstrate that dispersions of magnetic microparticles confined at the air-liquid interface, and energized by a uniaxial in-plane alternating magnetic field, self-assemble into a variety of structures that range from pulsating clusters and single-particle-thick wires to dynamic arrays of spinners (self-assembled short chains) rotating in either direction. The spinners emerge via spontaneous breaking of the uniaxial symmetry of the energizing magnetic field. Demonstration of the formation and disaggregationmore » of particle assemblies suggests strategies to form new meso-scale structures with the potential to perform functions such as mixing and sensing.« less

High resolution in-beam γ-ray spectroscopy

NASA Astrophysics Data System (ADS)

Kern, J.; Dousse, J.-Cl.; Gasser, M.; Perny, B.; Rhême, Ch.

1985-01-01

An in-beam curved crystal facility has been installed at the SIN variable energy cyclotron. Using the (110) planes of a 3.0 mm thick quartz lamina bent at 3.15 m, diffraction peaks typically 6 arcsec wide (FWHM) are obtained. The energy resolution is thus, for instance, 110 eV at 170 keV in 3rd order. Due to a sophisticated detector system and heavy shielding, the sensitivity of the instrument is quite good. The facility proves quite useful in (p,xnγ) reaction studies whenever the γ-ray spectrum is very complex, e.g. in the study of odd-odd deformed nuclei. Complicated multiplets appearing in the 176Yb(p,3nγ)174Lu spectrum could be successfully resolved. From the results we derive that the g-factors of the 142 d, Jπ=6- isomer, take anomalous values.

Magneto-optical spectroscopy of ferromagnetic shape-memory Ni-Mn-Ga alloy

NASA Astrophysics Data System (ADS)

Veis, M.; Beran, L.; Zahradnik, M.; Antos, R.; Straka, L.; Kopecek, J.; Fekete, L.; Heczko, O.

2014-05-01

Magneto-optical properties of single crystal of Ni50.1Mn28.4Ga21.5 magnetic shape memory alloy in martensite and austenite phase were systematically studied. Crystal orientation was approximately along {100} planes of parent cubic austenite. At room temperature, the sample was in modulated 10M martensite phase and transformed to cubic austenite at 323 K. Spectral dependence of polar magneto-optical Kerr effect was obtained by generalized magneto-optical ellipsometry with rotating analyzer in the photon energy range from 1.2 to 4 eV, and from room temperature to temperature above the Curie point. The Kerr rotation spectra exhibit prominent features typical for complexes containing Mn atoms. Significant spectral changes during transformation to austenite can be explained by different optical properties caused by changes in density of states near the Fermi energy.

Understanding the power reflection and transmission coefficients of a plane wave at a planar interface

NASA Astrophysics Data System (ADS)

Ye, Qian; Jiang, Yikun; Lin, Haoze

2017-03-01

In most textbooks, after discussing the partial transmission and reflection of a plane wave at a planar interface, the power (energy) reflection and transmission coefficients are introduced by calculating the normal-to-interface components of the Poynting vectors for the incident, reflected and transmitted waves, separately. Ambiguity arises among students since, for the Poynting vector to be interpreted as the energy flux density, on the incident (reflected) side, the electric and magnetic fields involved must be the total fields, namely, the sum of incident and reflected fields, instead of the partial fields which are just the incident (reflected) fields. The interpretation of the cross product of partial fields as energy flux has not been obviously justified in most textbooks. Besides, the plane wave is actually an idealisation that is only ever found in textbooks, then what do the reflection and transmission coefficients evaluated for a plane wave really mean for a real beam of limited extent? To provide a clearer physical picture, we exemplify a light beam of finite transverse extent by a fundamental Gaussian beam and simulate its reflection and transmission at a planar interface. Due to its finite transverse extent, we can then insert the incident fields or reflected fields as total fields into the expression of the Poynting vector to evaluate the energy flux and then power reflection and transmission coefficients. We demonstrate that the power reflection and transmission coefficients of a beam of finite extent turn out to be the weighted sum of the corresponding coefficients for all constituent plane wave components that form the beam. The power reflection and transmission coefficients of a single plane wave serve, in turn, as the asymptotes for the corresponding coefficients of a light beam as its width expands infinitely.

Rotational Analysis of Phase Plane Curves: Complex and Pure Imaginary Eigenvalues

ERIC Educational Resources Information Center

Murray, Russell H.

2005-01-01

Although the phase plane can be plotted and analyzed using an appropriate software package, the author found it worthwhile to engage the students with the theorem and the two proofs. The theorem is a powerful tool that provides insight into the rotational behavior of the phase plane diagram in a simple way: just check the signs of c and [alpha].…

High energy gamma ray results from the second small astronomy satellite

NASA Technical Reports Server (NTRS)

Fichtel, C. E.; Hartman, R. C.; Kniffen, D. A.; Thompson, D. J.; Bignami, G. F.; Oegelman, H.; Oezel, M. F.; Tuemer, T.

1974-01-01

A high energy (35 MeV) gamma ray telescope employing a thirty-two level magnetic core spark chamber system was flown on SAS 2. The high energy galactic gamma radiation is observed to dominate over the general diffuse radiation along the entire galactic plane, and when examined in detail, the longitudinal and latitudinal distribution seem generally correlated with galactic structural features, particularly with arm segments. The general high energy gamma radiation from the galactic plane, explained on the basis of its angular distribution and magnitude, probably results primarily from cosmic ray interactions with interstellar matter.

Human-Derived Disturbance Estimation and Compensation (DEC) Method Lends Itself to a Modular Sensorimotor Control in a Humanoid Robot.

PubMed

Lippi, Vittorio; Mergner, Thomas

2017-01-01

The high complexity of the human posture and movement control system represents challenges for diagnosis, therapy, and rehabilitation of neurological patients. We envisage that engineering-inspired, model-based approaches will help to deal with the high complexity of the human posture control system. Since the methods of system identification and parameter estimation are limited to systems with only a few DoF, our laboratory proposes a heuristic approach that step-by-step increases complexity when creating a hypothetical human-derived control systems in humanoid robots. This system is then compared with the human control in the same test bed, a posture control laboratory. The human-derived control builds upon the identified disturbance estimation and compensation (DEC) mechanism, whose main principle is to support execution of commanded poses or movements by compensating for external or self-produced disturbances such as gravity effects. In previous robotic implementation, up to 3 interconnected DEC control modules were used in modular control architectures separately for the sagittal plane or the frontal body plane and successfully passed balancing and movement tests. In this study we hypothesized that conflict-free movement coordination between the robot's sagittal and frontal body planes emerges simply from the physical embodiment, not necessarily requiring a full body control. Experiments were performed in the 14 DoF robot Lucy Posturob (i) demonstrating that the mechanical coupling from the robot's body suffices to coordinate the controls in the two planes when the robot produces movements and balancing responses in the intermediate plane, (ii) providing quantitative characterization of the interaction dynamics between body planes including frequency response functions (FRFs), as they are used in human postural control analysis, and (iii) witnessing postural and control stability when all DoFs are challenged together with the emergence of inter-segmental coordination in squatting movements. These findings represent an important step toward controlling in the robot in future more complex sensorimotor functions such as walking.

Human-Derived Disturbance Estimation and Compensation (DEC) Method Lends Itself to a Modular Sensorimotor Control in a Humanoid Robot

PubMed Central

Lippi, Vittorio; Mergner, Thomas

2017-01-01

The high complexity of the human posture and movement control system represents challenges for diagnosis, therapy, and rehabilitation of neurological patients. We envisage that engineering-inspired, model-based approaches will help to deal with the high complexity of the human posture control system. Since the methods of system identification and parameter estimation are limited to systems with only a few DoF, our laboratory proposes a heuristic approach that step-by-step increases complexity when creating a hypothetical human-derived control systems in humanoid robots. This system is then compared with the human control in the same test bed, a posture control laboratory. The human-derived control builds upon the identified disturbance estimation and compensation (DEC) mechanism, whose main principle is to support execution of commanded poses or movements by compensating for external or self-produced disturbances such as gravity effects. In previous robotic implementation, up to 3 interconnected DEC control modules were used in modular control architectures separately for the sagittal plane or the frontal body plane and successfully passed balancing and movement tests. In this study we hypothesized that conflict-free movement coordination between the robot's sagittal and frontal body planes emerges simply from the physical embodiment, not necessarily requiring a full body control. Experiments were performed in the 14 DoF robot Lucy Posturob (i) demonstrating that the mechanical coupling from the robot's body suffices to coordinate the controls in the two planes when the robot produces movements and balancing responses in the intermediate plane, (ii) providing quantitative characterization of the interaction dynamics between body planes including frequency response functions (FRFs), as they are used in human postural control analysis, and (iii) witnessing postural and control stability when all DoFs are challenged together with the emergence of inter-segmental coordination in squatting movements. These findings represent an important step toward controlling in the robot in future more complex sensorimotor functions such as walking. PMID:28951719

Harmonic oscillators and resonance series generated by a periodic unstable classical orbit

NASA Technical Reports Server (NTRS)

Kazansky, A. K.; Ostrovsky, Valentin N.

1995-01-01

The presence of an unstable periodic classical orbit allows one to introduce the decay time as a purely classical magnitude: inverse of the Lyapunov index which characterizes the orbit instability. The Uncertainty Relation gives the corresponding resonance width which is proportional to the Planck constant. The more elaborate analysis is based on the parabolic equation method where the problem is effectively reduced to the multidimensional harmonic oscillator with the time-dependent frequency. The resonances form series in the complex energy plane which is equidistant in the direction perpendicular to the real axis. The applications of the general approach to various problems in atomic physics are briefly exposed.

Simbol-X Telescope Scientific Calibrations: Requirements and Plans

NASA Astrophysics Data System (ADS)

Malaguti, G.; Angelini, L.; Raimondi, L.; Moretti, A.; Trifoglio, M.

2009-05-01

The Simbol-X telescope characteristics and the mission scientific requirements impose a challenging calibration plan with a number of unprecedented issues. The 20 m focal length implies for the incoming X-ray beam a divergence comparable to the incidence angle of the mirror surface also for 100 m-long facilities. Moreover this is the first time that a direct focussing X-ray telescope will be calibrated on an energy band covering about three decades, and with a complex focal plane. These problems require a careful plan and organization of the measurements, together with an evaluation of the calibration needs in terms of both hardware and software.

State-plane analysis of parallel resonant converter

NASA Technical Reports Server (NTRS)

Oruganti, R.; Lee, F. C.

1985-01-01

A method for analyzing the complex operation of a parallel resonant converter is developed, utilizing graphical state-plane techniques. The comprehensive mode analysis uncovers, for the first time, the presence of other complex modes besides the continuous conduction mode and the discontinuous conduction mode and determines their theoretical boundaries. Based on the insight gained from the analysis, a novel, high-frequency resonant buck converter is proposed. The voltage conversion ratio of the new converter is almost independent of load.

Bi-material plane with interface crack for the model of semi-linear material

NASA Astrophysics Data System (ADS)

Domanskaya, T. O.; Malkov, V. M.; Malkova, Yu. V.

2018-05-01

The singular plane problems of nonlinear elasticity (plane strain and plane stress) are considered for bi-material infinite plane with interface crack. The plane is formed of two half-planes. Mechanical properties of half-planes are described by the model of semi-linear material. Using model of this harmonic material has allowed to apply the theory of complex functions and to obtain exact analytical global solutions of some nonlinear problems. Among them the problem of bi-material plane with the stresses and strains jumps at an interface is considered. As an application of the problem of jumps, the problem of interface crack is solved. The values of nominal (Piola) and Cauchy stresses and displacements are founded. Based on the global solutions the asymptotic expansions are constructed for stresses and displacements in a vicinity of crack tip. As an example the case of a free crack in bi-material plane subjected to constant stresses at infinity is studied. As a special case, the analytical solution of the problem of a crack in a homogeneous plane is obtained from the problem for bi-material plane with interface crack.

Investigation on preferably oriented abnormal growth of CdSe nanorods along (0002) plane synthesized by henna leaf extract-mediated green synthesis

NASA Astrophysics Data System (ADS)

Iyyappa Rajan, P.; Judith Vijaya, J.; Jesudoss, S. K.; Kaviyarasu, K.; Lee, Seung-Cheol; John Kennedy, L.; Jothiramalingam, R.; Al-Lohedan, Hamad A.; Mahamad Abdullah, M.

2018-03-01

The theme of this work is to highlight the significance of green plant extracts in the synthesis of nanostructures. In asserting this statement, herein, we report our obtained results on the synthesis of hexagonal CdSe nanorods preferably oriented along (0002) plane through henna leaf extract-mediated reaction along with a discussion about the structural, morphological and optical properties of the synthesized nanorods. The possible mechanism for the synthesis of CdSe nanorods was explored. The formation of nanorods along (0002) plane was confirmed by the relatively high intensity of the (0002) peak in X-ray diffraction pattern. To account for the experimentally realistic condition, we have calculated the surface energies of hexagonal CdSe surface slabs along the low indexed (0002), (10 1 ¯ 0 ) and (11 2 ¯ 0 ) plane surfaces using density functional theory approach and the calculated surface energy value for (0002) surface is 802.7 mJ m-2, which is higher than (11 2 ¯ 0 ) and (10 1 ¯ 0 ) surfaces. On realizing the calculated surface energies of these slabs, we determined that the combination of (11 2 ¯ 0 ) and (10 1 ¯ 0 ) planes with lower surface energies will lead to the formation of CdSe nanorods growth along (0002) orientation. Finally, we argue that the design of new greener route for the synthesis of novel functional nanomaterials is highly desired.

Lower Extremity Energy Absorption and Biomechanics During Landing, Part I: Sagittal-Plane Energy Absorption Analyses

PubMed Central

Norcross, Marc F.; Lewek, Michael D.; Padua, Darin A.; Shultz, Sandra J.; Weinhold, Paul S.; Blackburn, J. Troy

2013-01-01

Context: Eccentric muscle actions of the lower extremity absorb kinetic energy during landing. Greater total sagittal-plane energy absorption (EA) during the initial impact phase (INI) of landing has been associated with landing biomechanics considered high risk for anterior cruciate ligament (ACL) injury. We do not know whether groups with different INI EA magnitudes exhibit meaningful differences in ACL-related landing biomechanics and whether INI EA might be useful to identify ACL injury-risk potential. Objective: To compare biomechanical factors associated with noncontact ACL injury among sagittal-plane INI EA groups and to determine whether an association exists between sex and sagittal-plane INI EA group assignment to evaluate the face validity of using sagittal-plane INI EA to identify ACL injury risk. Design: Descriptive laboratory study. Setting: Research laboratory. Patients or Other Participants: A total of 82 (41 men, 41 women; age = 21.0 ± 2.4 years, height = 1.74 ± 0.10 m, mass = 70.3 ± 16.1 kg) healthy, physically active individuals volunteered. Intervention(s): We assessed landing biomechanics using an electromagnetic motion-capture system and force plate during a double-legged jump-landing task. Main Outcome Measure(s): Total INI EA was used to group participants into high, moderate, and low tertiles. Sagittal- and frontal-plane knee kinematics; peak vertical and posterior ground reaction forces (GRFs); anterior tibial shear force; and internal hip extension, knee extension, and knee varus moments were identified and compared across groups using 1-way analyses of variance. We used a χ2 analysis to compare male and female representation in the high and low groups. Results: The high group exhibited greater knee-extension moment and posterior GRFs than both the moderate (P < .05) and low (P < .05) groups and greater anterior tibial shear force than the low group (P < .05). No other group differences were noted. Women were not represented more than men in the high group (χ2 = 1.20, P = .27). Conclusions: Greater sagittal-plane INI EA likely indicates greater ACL loading, but it does not appear to influence frontal-plane biomechanics related to ACL injury. Women were not more likely than men to demonstrate greater INI EA, suggesting that quantification of sagittal-plane INI EA alone is not sufficient to infer ACL injury-risk potential. PMID:23944382

Lower extremity energy absorption and biomechanics during landing, part I: sagittal-plane energy absorption analyses.

PubMed

Norcross, Marc F; Lewek, Michael D; Padua, Darin A; Shultz, Sandra J; Weinhold, Paul S; Blackburn, J Troy

2013-01-01

Eccentric muscle actions of the lower extremity absorb kinetic energy during landing. Greater total sagittal-plane energy absorption (EA) during the initial impact phase (INI) of landing has been associated with landing biomechanics considered high risk for anterior cruciate ligament (ACL) injury. We do not know whether groups with different INI EA magnitudes exhibit meaningful differences in ACL-related landing biomechanics and whether INI EA might be useful to identify ACL injury-risk potential. To compare biomechanical factors associated with noncontact ACL injury among sagittal-plane INI EA groups and to determine whether an association exists between sex and sagittal-plane INI EA group assignment to evaluate the face validity of using sagittal-plane INI EA to identify ACL injury risk. Descriptive laboratory study. Research laboratory. A total of 82 (41 men, 41 women; age = 21.0 ± 2.4 years, height = 1.74 ± 0.10 m, mass = 70.3 ± 16.1 kg) healthy, physically active individuals volunteered. We assessed landing biomechanics using an electromagnetic motion-capture system and force plate during a double-legged jump-landing task. Total INI EA was used to group participants into high, moderate, and low tertiles. Sagittal- and frontal-plane knee kinematics; peak vertical and posterior ground reaction forces (GRFs); anterior tibial shear force; and internal hip extension, knee extension, and knee varus moments were identified and compared across groups using 1-way analyses of variance. We used a χ (2) analysis to compare male and female representation in the high and low groups. The high group exhibited greater knee-extension moment and posterior GRFs than both the moderate (P < .05) and low (P < .05) groups and greater anterior tibial shear force than the low group (P < .05). No other group differences were noted. Women were not represented more than men in the high group (χ(2) = 1.20, P = .27). Greater sagittal-plane INI EA likely indicates greater ACL loading, but it does not appear to influence frontal-plane biomechanics related to ACL injury. Women were not more likely than men to demonstrate greater INI EA, suggesting that quantification of sagittal-plane INI EA alone is not sufficient to infer ACL injury-risk potential.

Spatial organization of seismicity and fracture pattern at the boundary between Alps and Dinarides

NASA Astrophysics Data System (ADS)

Bressan, Gianni; Ponton, Maurizio; Rossi, Giuliana; Urban, Sandro

2016-04-01

The paper affords the study of the spatial organization of seismicity in the easternmost region of the Alps (Friuli, in NE Italy and W Slovenia), dominated by the interference between the Alpine and the Dinaric tectonic systems. Two non-conventional methods of spatial analysis are used: fractal analysis and principal component analysis (PCA). The fractal analysis helps to discriminate the cases in which hypocentres clearly define a plane, from the ones in which hypocenter distribution tends to the planarity, without reaching it. The PCA analysis is used to infer the orientation of planes fitting through earthquake foci, or the direction of propagation of the hypocentres. Furthermore, we study the spatial seismicity pattern at the shallow depths in the context of a general damage model, through the crack density distribution. The results of the three methods concur to a complex and composite model of fracturing in the region. The hypocentre pattern fills only partially a plane, i.e. has a fractal dimension close to 2. The three exceptions regard planes with Dinaric trend, without interference with Alpine lineaments. The shallowest depth range (0-10 km depth) is characterized by the activation of planes with variable orientations, reflecting the interference between the Dinaric and the Alpine tectonic structures, and closely bound to the variation of the mechanical properties of the crust. The seismicity occurs mostly in areas characterized by a variation from low to moderate crack density, indicating the sharp transition from zones of low damage to zones of moderate damage. Low crack density indicates the presence of more competent rocks capable of sustaining high strain energy while high crack density areas pertain to highly fractured rocks that cannot store high strain energy. Brittle failure, i.e. seismic activity, is favoured within the sharp transitions from low to moderate crack density zones. The orientation of the planes depicting the seismic activity, indeed, coincides with the orientation of the faults generated along the flanks of past carbonate platforms both in Friuli and western Slovenia. In the deepest depth range (10-20-km depth), on the contrary, the study evidences the dominance of the tectonic Dinaric system to the NW of the External Dinarides, in depth. This depth interval is characterized by a more organized pattern of seismicity. Seismic events mainly locate on the Dinaric lineaments in the northern and eastern parts of the region considered, while on Alpine thrusts in the western and southern parts.

Permutation entropy and statistical complexity analysis of turbulence in laboratory plasmas and the solar wind.

PubMed

Weck, P J; Schaffner, D A; Brown, M R; Wicks, R T

2015-02-01

The Bandt-Pompe permutation entropy and the Jensen-Shannon statistical complexity are used to analyze fluctuating time series of three different turbulent plasmas: the magnetohydrodynamic (MHD) turbulence in the plasma wind tunnel of the Swarthmore Spheromak Experiment (SSX), drift-wave turbulence of ion saturation current fluctuations in the edge of the Large Plasma Device (LAPD), and fully developed turbulent magnetic fluctuations of the solar wind taken from the Wind spacecraft. The entropy and complexity values are presented as coordinates on the CH plane for comparison among the different plasma environments and other fluctuation models. The solar wind is found to have the highest permutation entropy and lowest statistical complexity of the three data sets analyzed. Both laboratory data sets have larger values of statistical complexity, suggesting that these systems have fewer degrees of freedom in their fluctuations, with SSX magnetic fluctuations having slightly less complexity than the LAPD edge I(sat). The CH plane coordinates are compared to the shape and distribution of a spectral decomposition of the wave forms. These results suggest that fully developed turbulence (solar wind) occupies the lower-right region of the CH plane, and that other plasma systems considered to be turbulent have less permutation entropy and more statistical complexity. This paper presents use of this statistical analysis tool on solar wind plasma, as well as on an MHD turbulent experimental plasma.

Voltage Control of Antiferromagnetic Phases at Near-Terahertz Frequencies

NASA Astrophysics Data System (ADS)

Barra, Anthony; Domann, John; Kim, Ki Wook; Carman, Greg

2018-03-01

A method to control antiferromagnetism using voltage-induced strain is proposed and theoretically examined. Voltage-induced magnetoelastic anisotropy is shown to provide sufficient torque to switch an antiferromagnetic domain 90° either from out of plane to in plane or between in-plane axes. Numerical results indicate that strain-mediated antiferromagnetic switching can occur in an 80-nm nanopatterned disk at frequencies approaching 1 THz but that the switching speed heavily depends on the system's mechanical design. Furthermore, the energy cost to induce magnetic switching is only 450 aJ, indicating that magnetoelastic control of antiferromagnetism is substantially more energy efficient than other approaches.

Direct observation of a Γ -X energy spectrum transition in narrow AlAs quantum wells

NASA Astrophysics Data System (ADS)

Khisameeva, A. R.; Shchepetilnikov, A. V.; Muravev, V. M.; Gubarev, S. I.; Frolov, D. D.; Nefyodov, Yu. A.; Kukushkin, I. V.; Reichl, C.; Tiemann, L.; Dietsche, W.; Wegscheider, W.

2018-03-01

Spectra of magnetoplasma excitations have been investigated in two-dimensional electron systems in AlAs quantum wells (QWs) of different widths. The magnetoplasma spectrum has been found to change profoundly when the quantum well width becomes thinner than 5.5 nm, indicating a drastic change in the conduction electron energy spectrum. The transformation can be interpreted in terms of transition from the in-plane strongly anisotropic Xx-Xy valley occupation to the out-of-plane isotropic Xz valley in the QW plane. Strong enhancement of the cyclotron effective mass over the band value in narrow AlAs QWs is reported.

FIRST PRINCIPLES STUDY ON ELECTRONIC AND OPTICAL PROPERTIES OF Al-DOPED γ-Ge3N4

NASA Astrophysics Data System (ADS)

Ding, Y. C.; Xiang, A. P.; Zhu, X. H.; Luo, J.; Hu, X. F.

2012-12-01

First principles study of the structural, electronic and optical properties of Al-doped γ-Ge3N4 with different concentration has been reported using the pseudo-potential plane wave method within the generalized gradient approximation (GGA). The binding energy and the formation energy suggest that Aluminum (Al) impurities prefer to substitute Ge at octahedral sites. Different doping concentrations are considered and the corresponding density of states (DOS) are analyzed. Calculated DOS indicates that there are holes in the top of the valance band after doping, meaning a p-type doping. We study the complex dielectric function, the absorption coefficient, and the electron energy loss spectra. It is demonstrated that for the low Al concentration, the material exhibits the dielectric behavior and for the high Al concentration, the material has possibilities to exhibit some metallic behavior. The γ-Ge3N4 doped with Al has a much higher static dielectric constant than undoped γ-Ge3N4, implying its potential applications in electronics and optics.

An a 0 resonance in strongly coupled π η , K K ¯ scattering from lattice QCD

DOE PAGES

Dudek, Jozef J.; Edwards, Robert G.; Wilson, David J.

2016-05-11

Here, we present the first calculation of coupled-channel meson-meson scattering in the isospinmore » $=1$, $G$-parity negative sector, with channels $$\\pi \\eta$$, $$K\\overline{K}$$ and $$\\pi \\eta'$$, in a first-principles approach to QCD. From the discrete spectrum of eigenstates in three volumes extracted from lattice QCD correlation functions we determine the energy dependence of the $S$-matrix, and find that the $S$-wave features a prominent cusp-like structure in $$\\pi \\eta \\to \\pi \\eta$$ close to $$K\\overline{K}$$ threshold coupled with a rapid turn on of amplitudes leading to the $$K\\overline{K}$$ final-state. This behavior is traced to an $$a_0(980)$$-like resonance, strongly coupled to both $$\\pi \\eta$$ and $$K\\overline{K}$$, which is identified with a pole in the complex energy plane, appearing on only a single unphysical Riemann sheet. Consideration of $D$-wave scattering suggests a narrow tensor resonance at higher energy.« less

An a 0 resonance in strongly coupled π η , K K ¯ scattering from lattice QCD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dudek, Jozef J.; Edwards, Robert G.; Wilson, David J.

Here, we present the first calculation of coupled-channel meson-meson scattering in the isospinmore » $=1$, $G$-parity negative sector, with channels $$\\pi \\eta$$, $$K\\overline{K}$$ and $$\\pi \\eta'$$, in a first-principles approach to QCD. From the discrete spectrum of eigenstates in three volumes extracted from lattice QCD correlation functions we determine the energy dependence of the $S$-matrix, and find that the $S$-wave features a prominent cusp-like structure in $$\\pi \\eta \\to \\pi \\eta$$ close to $$K\\overline{K}$$ threshold coupled with a rapid turn on of amplitudes leading to the $$K\\overline{K}$$ final-state. This behavior is traced to an $$a_0(980)$$-like resonance, strongly coupled to both $$\\pi \\eta$$ and $$K\\overline{K}$$, which is identified with a pole in the complex energy plane, appearing on only a single unphysical Riemann sheet. Consideration of $D$-wave scattering suggests a narrow tensor resonance at higher energy.« less

π π → π γ * amplitude and the resonant ρ → π γ * transition from lattice QCD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Briceño, Raúl A.; Dudek, Jozef J.; Edwards, Robert G.

2016-06-01

We present a determination of themore » $P$-wave $$\\pi\\pi\\to\\pi\\gamma^\\star$$ transition amplitude from lattice quantum chromodynamics. Matrix elements of the vector current in a finite-volume are extracted from three-point correlation functions, and from these we determine the infinite-volume amplitude using a generalization of the Lellouch-L\\"uscher formalism. We determine the amplitude for a range of discrete values of the $$\\pi\\pi$$ energy and virtuality of the photon, and observe the expected dynamical enhancement due to the $$\\rho$$ resonance. Describing the energy dependence of the amplitude, we are able to analytically continue into the complex energy plane and from the residue at the $$\\rho$$ pole extract the $$\\rho\\to\\gamma^\\star\\pi$$ transition form factor. This calculation, at $$m_\\pi\\approx 400$$~MeV, is the first time a form factor of a hadron resonance has been calculated within a first-principles approach to QCD.« less

The Large Scale Structure of the Galactic Magnetic Field and High Energy Cosmic Ray Anisotropy

NASA Astrophysics Data System (ADS)

Alvarez-Muñiz, Jaime; Stanev, Todor

2006-10-01

Measurements of the magnetic field in our Galaxy are complex and usually difficult to interpret. A spiral regular field in the disk is favored by observations, however the number of field reversals is still under debate. Measurements of the parity of the field across the Galactic plane are also very difficult due to the presence of the disk field itself. In this work we demonstrate that cosmic ray protons in the energy range 1018 to 1019eV, if accelerated near the center of the Galaxy, are sensitive to the large scale structure of the Galactic Magnetic Field (GMF). In particular if the field is of even parity, and the spiral field is bi-symmetric (BSS), ultra high energy protons will predominantly come from the Southern Galactic hemisphere, and predominantly from the Northern Galactic hemisphere if the field is of even parity and axi-symmetric (ASS). There is no sensitivity to the BSS or ASS configurations if the field is of odd parity.

Reynolds-Stress and Triple-Product Models Applied to a Flow with Rotation and Curvature

NASA Technical Reports Server (NTRS)

Olsen, Michael E.

2016-01-01

Turbulence models, with increasing complexity, up to triple product terms, are applied to the flow in a rotating pipe. The rotating pipe is a challenging case for turbulence models as it contains significant rotational and curvature effects. The flow field starts with the classic fully developed pipe flow, with a stationary pipe wall. This well defined condition is then subjected to a section of pipe with a rotating wall. The rotating wall introduces a second velocity scale, and creates Reynolds shear stresses in the radial-circumferential and circumferential-axial planes. Furthermore, the wall rotation introduces a flow stabilization, and actually reduces the turbulent kinetic energy as the flow moves along the rotating wall section. It is shown in the present work that the Reynolds stress models are capable of predicting significant reduction in the turbulent kinetic energy, but triple product improves the predictions of the centerline turbulent kinetic energy, which is governed by convection, dissipation and transport terms, as the production terms vanish on the pipe axis.

Optical Properties of Wurtzite Semiconductors Studied Using Cathodoluminescence Imaging and Spectroscopy

NASA Astrophysics Data System (ADS)

Juday, Reid

The work contained in this dissertation is focused on the optical properties of direct band gap semiconductors which crystallize in a wurtzite structure: more specifically, the III-nitrides and ZnO. By using cathodoluminescence spectroscopy, many of their properties have been investigated, including band gaps, defect energy levels, carrier lifetimes, strain states, exciton binding energies, and effects of electron irradiation on luminescence. Part of this work is focused on p-type Mg-doped GaN and InGaN. These materials are extremely important for the fabrication of visible light emitting diodes and diode lasers and their complex nature is currently not entirely understood. The luminescence of Mg-doped GaN films has been correlated with electrical and structural measurements in order to understand the behavior of hydrogen in the material. Deeply-bound excitons emitting near 3.37 and 3.42 eV are observed in films with a significant hydrogen concentration during cathodoluminescence at liquid helium temperatures. These radiative transitions are unstable during electron irradiation. Our observations suggest a hydrogen-related nature, as opposed to a previous assignment of stacking fault luminescence. The intensity of the 3.37 eV transition can be correlated with the electrical activation of the Mg acceptors. Next, the acceptor energy level of Mg in InGaN is shown to decrease significantly with an increase in the indium composition. This also corresponds to a decrease in the resistivity of these films. In addition, the hole concentration in multiple quantum well light emitting diode structures is much more uniform in the active region when Mg-doped InGaN (instead of Mg-doped GaN) is used. These results will help improve the efficiency of light emitting diodes, especially in the green/yellow color range. Also, the improved hole transport may prove to be important for the development of photovoltaic devices. Cathodoluminescence studies have also been performed on nanoindented ZnO crystals. Bulk, single crystal ZnO was indented using a sub-micron spherical diamond tip on various surface orientations. The resistance to deformation (the "hardness") of each surface orientation was measured, with the c-plane being the most resistive. This is due to the orientation of the easy glide planes, the c-planes, being positioned perpendicularly to the applied load. The a-plane oriented crystal is the least resistive to deformation. Cathodoluminescence imaging allows for the correlation of the luminescence with the regions located near the indentation. Sub-nanometer shifts in the band edge emission have been assigned to residual strain the crystals. The a- and m-plane oriented crystals show two-fold symmetry with regions of compressive and tensile strain located parallel and perpendicular to the +/- c-directions, respectively. The c-plane oriented crystal shows six-fold symmetry with regions of tensile strain extending along the six equivalent a-directions.

Reconstruction of 3d Models from Point Clouds with Hybrid Representation

NASA Astrophysics Data System (ADS)

Hu, P.; Dong, Z.; Yuan, P.; Liang, F.; Yang, B.

2018-05-01

The three-dimensional (3D) reconstruction of urban buildings from point clouds has long been an active topic in applications related to human activities. However, due to the structures significantly differ in terms of complexity, the task of 3D reconstruction remains a challenging issue especially for the freeform surfaces. In this paper, we present a new reconstruction algorithm which allows the 3D-models of building as a combination of regular structures and irregular surfaces, where the regular structures are parameterized plane primitives and the irregular surfaces are expressed as meshes. The extraction of irregular surfaces starts with an over-segmented method for the unstructured point data, a region growing approach based the adjacent graph of super-voxels is then applied to collapse these super-voxels, and the freeform surfaces can be clustered from the voxels filtered by a thickness threshold. To achieve these regular planar primitives, the remaining voxels with a larger flatness will be further divided into multiscale super-voxels as basic units, and the final segmented planes are enriched and refined in a mutually reinforcing manner under the framework of a global energy optimization. We have implemented the proposed algorithms and mainly tested on two point clouds that differ in point density and urban characteristic, and experimental results on complex building structures illustrated the efficacy of the proposed framework.

Fracture Mechanics of Thin, Cracked Plates Under Tension, Bending and Out-of-Plane Shear Loading

NASA Technical Reports Server (NTRS)

Zehnder, Alan T.; Hui, C. Y.; Potdar, Yogesh; Zucchini, Alberto

1999-01-01

Cracks in the skin of aircraft fuselages or other shell structures can be subjected to very complex stress states, resulting in mixed-mode fracture conditions. For example, a crack running along a stringer in a pressurized fuselage will be subject to the usual in-plane tension stresses (Mode-I) along with out-of-plane tearing stresses (Mode-III like). Crack growth and initiation in this case is correlated not only with the tensile or Mode-I stress intensity factor, K(sub I), but depends on a combination of parameters and on the history of crack growth. The stresses at the tip of a crack in a plate or shell are typically described in terms of either the small deflection Kirchhoff plate theory. However, real applications involve large deflections. We show, using the von-Karman theory, that the crack tip stress field derived on the basis of the small deflection theory is still valid for large deflections. We then give examples demonstrating the exact calculation of energy release rates and stress intensity factors for cracked plates loaded to large deflections. The crack tip fields calculated using the plate theories are an approximation to the actual three dimensional fields. Using three dimensional finite element analyses we have explored the relationship between the three dimensional elasticity theory and two dimensional plate theory results. The results show that for out-of-plane shear loading the three dimensional and Kirchhoff theory results coincide at distance greater than h/2 from the crack tip, where h/2 is the plate thickness. Inside this region, the distribution of stresses through the thickness can be very different from the plate theory predictions. We have also explored how the energy release rate varies as a function of crack length to plate thickness using the different theories. This is important in the implementation of fracture prediction methods using finite element analysis. Our experiments show that under certain conditions, during fatigue crack growth, the presence of out-of-plane shear loads induces a great deal of contact and friction on the crack surfaces, dramatically reducing crack growth rate. A series of experiments and a proposed computational approach for accounting for the friction is discussed.

Axial coordination and conformational heterogeneity of nickel(II) tetraphenylprophyrin complexes with nitrogenous bases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jia, S.L.; Song, X.Z.; Ma, J.G.

1998-08-24

Axial ligation of nickel(II) 5,10,15,20-tetraphenylporphyrin (NiTPP) with pyrrolidine or piperidine has been investigated using X-ray crystallography, UV-visible spectroscopy, resonance Raman spectroscopy, and molecular mechanics (MM) calculations. Distinct v{sub 4} Raman lines are found for the 4-, 5-, and 6-coordinate species of NiTPP. The equilibrium constants for addition of the first and second pyrrolidine axial ligands are 1.1 and 3.8 M{sup {minus}1}, respectively. The differences in the calculated energies of the conformers having different ligand rotational angles are small so they may coexist in solution. Because of the similarity in macrocyclic structural parameters of these conformers and the free rotation ofmore » the axial ligands, narrow and symmetric v{sub 2} and v{sub 8} Raman lines are observed. Nonetheless, the normal-coordinate structural-decomposition analysis of the nonplanar distortions of the calculated structures and the crystal structure of the bis(piperidine) complex reveals a relationship between the orientations of axial ligand(s) and the macrocyclic distortions. For the 5-coordinate complex with the plane of the axial ligand bisecting the Ni-N{sub pyrrole} bonds, a primarily ruffled deformation results. With the ligand plane eclipsing the Ni-N{sub pyrrole} bonds, a mainly saddled deformation occurs. With the addition of the second axial ligand, the small doming of the 5-coordinate complexes disappears, and ruffling or saddling deformations change depending on the relative orientation of the two axial ligands. The crystal structure of the NiTPP bis(piperidine) complex shows a macrocycle distortion composed of wav(x) and wav(y) symmetric deformations, but no ruffling, saddling, or doming. The difference in the calculated and observed distortions results partly from the phenyl group orientation imposed by crystal packing forces. MM calculations predict three stable conformers (ruf, sad, and planar) for 4-coordinate NiTPP, and resonance Raman evidence for these conformers was given previously.« less

Characterizing the behavior of scattered radiation in multi-energy x-ray imaging

NASA Astrophysics Data System (ADS)

Sossin, Artur; Rebuffel, V.; Tabary, J.; Létang, J. M.; Freud, N.; Verger, L.

2017-04-01

Scattered radiation results in various undesirable effects in medical diagnostics, non-destructive testing (NDT) and security x-ray imaging. Despite numerous studies characterizing this phenomenon and its effects, the knowledge of its behavior in the energy domain remains limited. The present study aims at summarizing some key insights on scattered radiation originating from the inspected object. In addition, various simulations and experiments with limited collimation on both simplified and realistic phantoms were conducted in order to study scatter behavior in multi-energy x-ray imaging. Results showed that the spectrum shape of the scatter component can be considered preserved in the first approximation across the image plane for various acquisition geometries and phantoms. The variations exhibited by the scatter spectrum were below 10% for most examined cases. Furthermore, the corresponding spectrum shape proved to be also relatively invariant for different experimental angular projections of one of the examined phantoms. The observed property of scattered radiation can potentially lead to the decoupling of spatial and energy scatter components, which can in turn enable speed ups in scatter simulations and reduce the complexity of scatter correction.

Thermal Casimir and Casimir–Polder interactions in N parallel 2D Dirac materials

NASA Astrophysics Data System (ADS)

Khusnutdinov, Nail; Kashapov, Rashid; Woods, Lilia M.

2018-07-01

The Casimir and Casimir–Polder interactions are investigated in a stack of equally spaced graphene layers. The optical response of the individual graphene is taken into account using gauge invariant components of the polarization tensor extended to the whole complex frequency plane. The planar symmetry for the electromagnetic boundary conditions is further used to obtain explicit forms for the Casimir energy stored in the stack and the Casimir–Polder energy between an atom above the stack. Our calculations show that these fluctuation induced interactions experience strong thermal effects due to the graphene Dirac-like energy spectrum. The spatial dispersion and temperature dependence in the optical response are also found to be important for enhancing the interactions especially at smaller separations. Analytical expressions for low and high temperature limits and their comparison with corresponding expressions for an infinitely conducting planar stack are further used to expand our understanding of Casimir and Casimir–Polder energies in Dirac materials. Our results may be useful to experimentalists as new ways to probe thermal effects at the nanoscale in such universal interactions.

1980 Summer Study Program in Geophysical Fluid Dynamics - Coherent Features in Geophysical Flows.

DTIC Science & Technology

1980-11-01

odei un a inplii.ude motions on the beta plane. He extended the analysis to more complex flows in the ocean and the atmosphere and in the process...Technology Maxworthy, Anthony University of Southern California McWilliams, James National Center for Atmospheric Reserch Nelkin, Mark Cornell University...Nortweg-de Vries equation via a model of finite amplitude motions on the beta plane. He extended the analysis to more complex flows in the ocean and the

Techniques to measure complex-plane fields

NASA Astrophysics Data System (ADS)

Dudley, Angela; Majola, Nombuso; Chetty, Naven; Forbes, Andrew

2014-10-01

In this work we construct coherent superpositions of Gaussian and vortex modes which can be described to occupy the complex-plane. We demonstrate how these fields can be experimentally constructed in a digital, controllable manner with a spatial light modulator. Once these fields have been generated we illustrate, with three separate techniques, how the constituent components of these fields can be extracted, namely by measuring the intensity of the field at two adjacent points; performing a modal decomposition and a new digital Stokes measurement.

Analysis of x-ray diffraction pattern and complex plane impedance plot of polypyrrole/titanium dioxide nanocomposite: A simulation study

NASA Astrophysics Data System (ADS)

Ravikiran, Y. T.; Vijaya Kumari, S. C.

2013-06-01

To innovate the properties of Polypyrrole/Titanium dioxide (PPy/TiO2) nanocomposite further, it has been synthesized by chemical polymerization technique. The nanostructure and monoclinic phase of the prepared composite have been confirmed by simulating the X-ray diffraction pattern (XRD). Also, complex plane impedance plot of the composite has been simulated to find equivalent resistance capacitance circuit (RC circuit) and numerical values of R and C have been predicted.

Local Bifurcation Control,

DTIC Science & Technology

1987-01-01

X, (0) in the open left half complex plane . (S) Eq. (1) has an equilibrium zo(p) when u = 0. Furthermore, the linearization of (1) near z0, p = 0...possesses a simple eigenvalue X(p) with XI(O) = 0, X; (0) 74 0, with the remaining eigenvalues X(0), . . . , X. (0) in the open left half complex plane ...Conference, Lausanne, June 1984. (11) "Chaos In dynamical systems by the Poincare -Melnikov-Arnold method" Proc. ARO Workshop, March 1984. %I 2.I JUAN C

Initiation and growth of the discontinuous precipitation reaction at [0 1 1] symmetric tilt boundaries in Cu-Be alloy bicrystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Monzen, R.; Watanabe, C.; Mino, D.

2005-02-01

The initiation and growth of discontinuous precipitation (DP) at [0 1 1] symmetric tilt boundaries in Cu-0.75 wt% Be alloy bicrystals have been studied. Transmission electron microscopy revealed that {gamma} precipitates tended to nucleate at a boundary in such a manner that their habit plane, (1 1 2){sub {alpha}} or (4 4 5){sub {alpha}}, with one of the adjoining grains lay as close as possible to the boundary. The habit plane with a low energy formed on both sides of the precipitates behind an initially migrating boundary, indicating the importance of the existence of the low-energy habit plane for themore » initial boundary migration. The incubation period to initiate DP and cell growth rate for a boundary show a good correlation with the energy of the boundary. A kinetic analysis of DP using the models of Turnbull, and Petermann and Hornbogen has yielded boundary diffusion data. A higher-energy boundary has a higher diffusivity with a smaller activation energy.« less

Fundamental formulae for wave-energy conversion

PubMed Central

Falnes, Johannes; Kurniawan, Adi

2015-01-01

The time-average wave power that is absorbed from an incident wave by means of a wave-energy conversion (WEC) unit, or by an array of WEC units—i.e. oscillating immersed bodies and/or oscillating water columns (OWCs)—may be mathematically expressed in terms of the WEC units' complex oscillation amplitudes, or in terms of the generated outgoing (diffracted plus radiated) waves, or alternatively, in terms of the radiated waves alone. Following recent controversy, the corresponding three optional expressions are derived, compared and discussed in this paper. They all provide the correct time-average absorbed power. However, only the first-mentioned expression is applicable to quantify the instantaneous absorbed wave power and the associated reactive power. In this connection, new formulae are derived that relate the ‘added-mass’ matrix, as well as a couple of additional reactive radiation-parameter matrices, to the difference between kinetic energy and potential energy in the water surrounding the immersed oscillating WEC array. Further, a complex collective oscillation amplitude is introduced, which makes it possible to derive, by a very simple algebraic method, various simple expressions for the maximum time-average wave power that may be absorbed by the WEC array. The real-valued time-average absorbed power is illustrated as an axisymmetric paraboloid defined on the complex collective-amplitude plane. This is a simple illustration of the so-called ‘fundamental theorem for wave power’. Finally, the paper also presents a new derivation that extends a recently published result on the direction-average maximum absorbed wave power to cases where the WEC array's radiation damping matrix may be singular and where the WEC array may contain OWCs in addition to oscillating bodies. PMID:26064612

Fundamental formulae for wave-energy conversion.

PubMed

Falnes, Johannes; Kurniawan, Adi

2015-03-01

The time-average wave power that is absorbed from an incident wave by means of a wave-energy conversion (WEC) unit, or by an array of WEC units-i.e. oscillating immersed bodies and/or oscillating water columns (OWCs)-may be mathematically expressed in terms of the WEC units' complex oscillation amplitudes, or in terms of the generated outgoing (diffracted plus radiated) waves, or alternatively, in terms of the radiated waves alone. Following recent controversy, the corresponding three optional expressions are derived, compared and discussed in this paper. They all provide the correct time-average absorbed power. However, only the first-mentioned expression is applicable to quantify the instantaneous absorbed wave power and the associated reactive power. In this connection, new formulae are derived that relate the 'added-mass' matrix, as well as a couple of additional reactive radiation-parameter matrices, to the difference between kinetic energy and potential energy in the water surrounding the immersed oscillating WEC array. Further, a complex collective oscillation amplitude is introduced, which makes it possible to derive, by a very simple algebraic method, various simple expressions for the maximum time-average wave power that may be absorbed by the WEC array. The real-valued time-average absorbed power is illustrated as an axisymmetric paraboloid defined on the complex collective-amplitude plane. This is a simple illustration of the so-called 'fundamental theorem for wave power'. Finally, the paper also presents a new derivation that extends a recently published result on the direction-average maximum absorbed wave power to cases where the WEC array's radiation damping matrix may be singular and where the WEC array may contain OWCs in addition to oscillating bodies.

In-plane optical anisotropy of InAs/GaSb superlattices with alternate interfaces

PubMed Central

2013-01-01

The in-plane optical anisotropy (IPOA) in InAs/GaSb superlattices has been studied by reflectance difference spectroscopy (RDS) at different temperatures ranging from 80 to 300 K. We introduce alternate GaAs- and InSb-like interfaces (IFs), which cause the symmetry reduced from D2d to C2v. IPOA has been observed in the (001) plane along [110] and [11¯0] axes. RDS measurement results show strong anisotropy resonance near critical point (CP) energies of InAs and GaSb. The energy positions show red shift and RDS intensity decreases with the increasing temperature. For the superlattice sample with the thicker InSb-like IFs, energy positions show red shift, and the spectra exhibit stronger IPOA. The excitonic effect is clearly observed by RDS at low temperatures. It demonstrates that biaxial strain results in the shift of the CP energies and IPOA is enhanced by the further localization of the carriers in InSb-like IFs. PMID:23799946

Diffuse gamma radiation

NASA Technical Reports Server (NTRS)

Fichtel, C. E.; Simpson, G. A.; Thompson, D. J.

1977-01-01

An examination of the intensity, energy spectrum, and spatial distribution of the diffuse gamma-radiation observed by SAS-2 satellite away from the galactic plane in the energy range above 35 MeV has shown that it consists of two components. One component is generally correlated with galactic latitudes, the atomic hydrogen column density was deduced from 21 cm measurements, and the continuum radio emission, believed to be synchrotron emission. It has an energy spectrum similar to that in the plane and joins smoothly to the intense radiation from the plane. It is therefore presumed to be of galactic origin. The other component is apparently isotropic, at least on a coarse scale, and has a steep energy spectrum. No evidence is found for a cosmic ray halo surrounding the galaxy in the shape of a sphere or oblate spheroid with galactic dimensions. Constraints for a halo model with significantly larger dimensions are set on the basis of an upper limit to the gamma-ray anisotropy.

State-plane analysis of zero-voltage-switching resonant dc/dc power converters

NASA Astrophysics Data System (ADS)

Kazimierczuk, Marian K.; Morse, William D.

The state-plane analysis technique for the zero-voltage-switching resonant dc/dc power converter family of topologies, namely the buck, boost, buck-boost, and Cuk converters is established. The state plane provides a compression of information that allows the designer to uniquely examine the nonlinear dynamics of resonant converter operation. Utilizing the state plane, resonant converter modes of operation are examined and the switching frequencies are derived for the boundaries between these modes, including the boundary of energy conversion.

Self-consistent continuum solvation for optical absorption of complex molecular systems in solution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Timrov, Iurii; Biancardi, Alessandro; Andreussi, Oliviero

2015-01-21

We introduce a new method to compute the optical absorption spectra of complex molecular systems in solution, based on the Liouville approach to time-dependent density-functional perturbation theory and the revised self-consistent continuum solvation model. The former allows one to obtain the absorption spectrum over a whole wide frequency range, using a recently proposed Lanczos-based technique, or selected excitation energies, using the Casida equation, without having to ever compute any unoccupied molecular orbitals. The latter is conceptually similar to the polarizable continuum model and offers the further advantages of allowing an easy computation of atomic forces via the Hellmann-Feynman theorem andmore » a ready implementation in periodic-boundary conditions. The new method has been implemented using pseudopotentials and plane-wave basis sets, benchmarked against polarizable continuum model calculations on 4-aminophthalimide, alizarin, and cyanin and made available through the QUANTUM ESPRESSO distribution of open-source codes.« less

Spatially selective hydrogen irradiation of dilute nitride semiconductors: a brief review

NASA Astrophysics Data System (ADS)

Felici, Marco; Pettinari, Giorgio; Biccari, Francesco; Capizzi, Mario; Polimeni, Antonio

2018-05-01

We provide a brief survey of the most recent results obtained by performing spatially selective hydrogen irradiation of dilute nitride semiconductors. The striking effects of the formation of stable N–H complexes in these compounds—coupled to the ultrasharp diffusion profile of H therein—can be exploited to tailor the structural (lattice constant) and optoelectronic (energy gap, refractive index, electron effective mass) properties of the material in the growth plane, with a spatial resolution of a few nm. This can be applied to the fabrication of site-controlled quantum dots (QDs) and wires, but also to the realization of the optical elements required for the on-chip manipulation and routing of qubits in fully integrated photonic circuits. The fabricated QDs—which have shown the ability to emit single photons—can also be deterministically coupled with photonic crystal microcavities, proving their inherent suitability to act as integrated light sources in complex nanophotonic devices.

Efficient simulations of the aqueous bio-interface of graphitic nanostructures with a polarisable model

NASA Astrophysics Data System (ADS)

Hughes, Zak E.; Tomásio, Susana M.; Walsh, Tiffany R.

2014-04-01

To fully harness the enormous potential offered by interfaces between graphitic nanostructures and biomolecules, detailed connections between adsorbed conformations and adsorption behaviour are needed. To elucidate these links, a key approach, in partnership with experimental techniques, is molecular simulation. For this, a force-field (FF) that can appropriately capture the relevant physics and chemistry of these complex bio-interfaces, while allowing extensive conformational sampling, and also supporting inter-operability with known biological FFs, is a pivotal requirement. Here, we present and apply such a force-field, GRAPPA, designed to work with the CHARMM FF. GRAPPA is an efficiently implemented polarisable force-field, informed by extensive plane-wave DFT calculations using the revPBE-vdW-DF functional. GRAPPA adequately recovers the spatial and orientational structuring of the aqueous interface of graphene and carbon nanotubes, compared with more sophisticated approaches. We apply GRAPPA to determine the free energy of adsorption for a range of amino acids, identifying Trp, Tyr and Arg to have the strongest binding affinity and Asp to be a weak binder. The GRAPPA FF can be readily incorporated into mainstream simulation packages, and will enable large-scale polarisable biointerfacial simulations at graphitic interfaces, that will aid the development of biomolecule-mediated, solution-based graphene processing and self-assembly strategies.To fully harness the enormous potential offered by interfaces between graphitic nanostructures and biomolecules, detailed connections between adsorbed conformations and adsorption behaviour are needed. To elucidate these links, a key approach, in partnership with experimental techniques, is molecular simulation. For this, a force-field (FF) that can appropriately capture the relevant physics and chemistry of these complex bio-interfaces, while allowing extensive conformational sampling, and also supporting inter-operability with known biological FFs, is a pivotal requirement. Here, we present and apply such a force-field, GRAPPA, designed to work with the CHARMM FF. GRAPPA is an efficiently implemented polarisable force-field, informed by extensive plane-wave DFT calculations using the revPBE-vdW-DF functional. GRAPPA adequately recovers the spatial and orientational structuring of the aqueous interface of graphene and carbon nanotubes, compared with more sophisticated approaches. We apply GRAPPA to determine the free energy of adsorption for a range of amino acids, identifying Trp, Tyr and Arg to have the strongest binding affinity and Asp to be a weak binder. The GRAPPA FF can be readily incorporated into mainstream simulation packages, and will enable large-scale polarisable biointerfacial simulations at graphitic interfaces, that will aid the development of biomolecule-mediated, solution-based graphene processing and self-assembly strategies. Electronic supplementary information (ESI) available: Details of the testing of four different DFT functionals; the adsorption energies and separation distances for the full set of analogue molecules; details of the adsorption energies of the phenyl species on the graphene surface at different adsorption sites; snapshots of the set-ups of the three different water-graphene simulations; plane-wave DFT minimum energy configurations of the full set of analogue molecules; details of the development and parametrisation of the GRAPPA FF; details of the parameters and setup used for the AMEOBAPRO simulations; the probability distribution of the O-H bond vectors of water molecules at the graphene interface; details of the simulation times for the (14 × 0) CNT systems using the different FFs; details of tests performed to determine the contribution of polarisability to binding energies; the RMSD between the reference values and plane-wave DFT values of different groups of molecules; 2D density maps of water on the graphene interface; density and hydrogen bond profiles for the simulations of water inside CNTs; 2D density maps of water inside the CNTs; plots of the collective variable against time for the meta-dynamics simulations; probability distributions of the angle between the plane of the aromatic rings and the graphene surface; the probability distribution of distance of the methyl carbon from the graphene surface for Ala. See DOI: 10.1039/c4nr00468j

Metal Patch Antenna

NASA Technical Reports Server (NTRS)

Chamberlain, Neil F. (Inventor); Zawadzki, Mark S. (Inventor); Hodges, Richard E. (Inventor)

2012-01-01

Disclosed herein is a patch antenna comprises a planar conductive patch attached to a ground plane by a support member, and a probe connector in electrical communication with the conductive patch arranged to conduct electromagnetic energy to or from the conductive patch, wherein the conductive patch is disposed essentially parallel to the ground plane and is separated from the ground plane by a spacing distance; wherein the support member comprises a plurality of sides disposed about a central axis oriented perpendicular to the conductive patch and the ground plane; wherein the conductive patch is solely supported above the ground plane by the support member; and wherein the support member provides electrical communication between the planer conductive patch and the ground plane.

Antiferromagnetic THz-frequency Josephson-like Oscillator Driven by Spin Current.

PubMed

Khymyn, Roman; Lisenkov, Ivan; Tiberkevich, Vasyl; Ivanov, Boris A; Slavin, Andrei

2017-03-06

The development of compact and tunable room temperature sources of coherent THz-frequency signals would open a way for numerous new applications. The existing approaches to THz-frequency generation based on superconductor Josephson junctions (JJ), free electron lasers, and quantum cascades require cryogenic temperatures or/and complex setups, preventing the miniaturization and wide use of these devices. We demonstrate theoretically that a bi-layer of a heavy metal (Pt) and a bi-axial antiferromagnetic (AFM) dielectric (NiO) can be a source of a coherent THz signal. A spin-current flowing from a DC-current-driven Pt layer and polarized along the hard AFM anisotropy axis excites a non-uniform in time precession of magnetizations sublattices in the AFM, due to the presence of a weak easy-plane AFM anisotropy. The frequency of the AFM oscillations varies in the range of 0.1-2.0 THz with the driving current in the Pt layer from 10 8  A/cm 2 to 10 9  A/cm 2 . The THz-frequency signal from the AFM with the amplitude exceeding 1 V/cm is picked up by the inverse spin-Hall effect in Pt. The operation of a room-temperature AFM THz-frequency oscillator is similar to that of a cryogenic JJ oscillator, with the energy of the easy-plane magnetic anisotropy playing the role of the Josephson energy.

In situ grain fracture mechanics during uniaxial compaction of granular solids

NASA Astrophysics Data System (ADS)

Hurley, R. C.; Lind, J.; Pagan, D. C.; Akin, M. C.; Herbold, E. B.

2018-03-01

Grain fracture and crushing are known to influence the macroscopic mechanical behavior of granular materials and be influenced by factors such as grain composition, morphology, and microstructure. In this paper, we investigate grain fracture and crushing by combining synchrotron x-ray computed tomography and three-dimensional x-ray diffraction to study two granular samples undergoing uniaxial compaction. Our measurements provide details of grain kinematics, contacts, average intra-granular stresses, inter-particle forces, and intra-grain crystal and fracture plane orientations. Our analyses elucidate the complex nature of fracture and crushing, showing that: (1) the average stress states of grains prior to fracture vary widely in their relation to global and local trends; (2) fractured grains experience inter-particle forces and stored energies that are statistically higher than intact grains prior to fracture; (3) fracture plane orientations are primarily controlled by average intra-granular stress and contact fabric rather than the orientation of the crystal lattice; (4) the creation of new surfaces during fracture accounts for a very small portion of the energy dissipated during compaction; (5) mixing brittle and ductile grain materials alters the grain-scale fracture response. The results highlight an application of combined x-ray measurements for non-destructive in situ analysis of granular solids and provide details about grain fracture that have important implications for theory and modeling.

Antiferromagnetic THz-frequency Josephson-like Oscillator Driven by Spin Current

NASA Astrophysics Data System (ADS)

Khymyn, Roman; Lisenkov, Ivan; Tiberkevich, Vasyl; Ivanov, Boris A.; Slavin, Andrei

2017-03-01

The development of compact and tunable room temperature sources of coherent THz-frequency signals would open a way for numerous new applications. The existing approaches to THz-frequency generation based on superconductor Josephson junctions (JJ), free electron lasers, and quantum cascades require cryogenic temperatures or/and complex setups, preventing the miniaturization and wide use of these devices. We demonstrate theoretically that a bi-layer of a heavy metal (Pt) and a bi-axial antiferromagnetic (AFM) dielectric (NiO) can be a source of a coherent THz signal. A spin-current flowing from a DC-current-driven Pt layer and polarized along the hard AFM anisotropy axis excites a non-uniform in time precession of magnetizations sublattices in the AFM, due to the presence of a weak easy-plane AFM anisotropy. The frequency of the AFM oscillations varies in the range of 0.1-2.0 THz with the driving current in the Pt layer from 108 A/cm2 to 109 A/cm2. The THz-frequency signal from the AFM with the amplitude exceeding 1 V/cm is picked up by the inverse spin-Hall effect in Pt. The operation of a room-temperature AFM THz-frequency oscillator is similar to that of a cryogenic JJ oscillator, with the energy of the easy-plane magnetic anisotropy playing the role of the Josephson energy.

Novel Approach on the Optimisation of Mid-Course Corrections Along Interplanetary Trajectories

NASA Astrophysics Data System (ADS)

Iorfida, Elisabetta; Palmer, Phil; Roberts, Mark

The primer vector theory, firstly proposed by Lawden, defines a set of necessary conditions to characterise whether an impulsive thrust trajectory is optimal with respect to propellant usage, within a two-body problem context. If the conditions are not satisfied, one or more potential intermediate impulses are performed along the transfer arc, in order to lower the overall cost. The method is based on the propagation of the state transition matrix and on the solution of a boundary value problem, which leads to a mathematical and computational complexity.In this paper, a different approach is introduced. It is based on a polar coordinates transformation of the primer vector which allows the decoupling between its in-plane and out-of-plane components. The out-of-plane component is solved analytically while for the in-plane ones a Hamiltonian approximation is made.The novel procedure reduces the mathematical complexity and the computational cost of Lawden's problem and gives also a different perspective about the optimisation of a transfer trajectory.

Comparing the basins of attraction for several methods in the circular Sitnikov problem with spheroid primaries

NASA Astrophysics Data System (ADS)

Zotos, Euaggelos E.

2018-06-01

The circular Sitnikov problem, where the two primary bodies are prolate or oblate spheroids, is numerically investigated. In particular, the basins of convergence on the complex plane are revealed by using a large collection of numerical methods of several order. We consider four cases, regarding the value of the oblateness coefficient which determines the nature of the roots (attractors) of the system. For all cases we use the iterative schemes for performing a thorough and systematic classification of the nodes on the complex plane. The distribution of the iterations as well as the probability and their correlations with the corresponding basins of convergence are also discussed. Our numerical computations indicate that most of the iterative schemes provide relatively similar convergence structures on the complex plane. However, there are some numerical methods for which the corresponding basins of attraction are extremely complicated with highly fractal basin boundaries. Moreover, it is proved that the efficiency strongly varies between the numerical methods.

Triboluminescence and crystal structure of the complex [Eu(NО3 )3 (HMPA)3 ]: role of cleavage planes.

PubMed

Bukvetskii, B V; Mirochnik, A G; Zhikhareva, P A

2017-05-01

The atomic structure of crystals of the [Eu(NО 3 ) 3 (HMPA) 3 ] [hexamethylphosphotriamide (HMPA)] complex characterized by an intensive luminescence and triboluminescence was determined using X-ray structural analysis. Noncentrosymmetric crystals have a monoclinic syngony: a = 16.0686 (3), b = 11.0853 (2), c = 20.9655 Å (4), β = 93.232° (1), space group P2 1 , Z = 4, ρ calc  = 1.560 g/cm 3 . The crystal structure is represented by individual С 18 Н 54 EuN 12 O 12 P 3 complexes linked through van der Waals interactions with clearly expressed cleavage planes. The Eu(III) atom coordination polyhedron reflected the state of a distorted square antiprism. Structural aspects of the suggested model, including formation of triboluminescence properties, were considered and the role of the cleavage planes was discussed. Copyright © 2016 John Wiley & Sons, Ltd.

ALMA CO Observations of Shocks and Star Formation in the Interacting Galaxies IC 2163 and NGC 2207

NASA Astrophysics Data System (ADS)

Elmegreen, Debra M.; Elmegreen, Bruce; Kaufman, Michele; Brinks, Elias; Struck, Curtis; Bournaud, Frederic; Sheth, Kartik; Juneau, Stephanie

2017-01-01

The spiral galaxies IC 2163 and NGC 2207 are a well-studied pair undergoing a grazing collision. ALMA CO observations of masses, column densities, and velocities are combined with HI, Hα, optical, and 24 micron data to study the star formation rates and efficiencies. The close encounter of the galaxies produced in-plane tidal forces in IC 2163, resulting in a large shock with high molecular velocity gradients and both radial and azimuthal streaming (100 km/s) that formed a pile-up of molecular gas in the resulting cuspy-oval or ``eyelid'' structure at mid-radius. The encounter also produced forces nearly orthogonal to the plane of NGC 2207, resulting in a warp. By comparing with the Kennicutt-Schmidt relation for star formation, we find that some regions of NGC 2207 with unusually high turbulent speeds (40-50 km/s) and high star formation rates (>0.01 Mo/pc2/Myr) have gas that is predominantly atomic with high density cores. Half of the CO mass is in 300 clouds each more massive than 4.0x105 Mo. The mass distribution functions for the CO clouds and star complexes in the eyelid in IC 2163 both have a slope similar to what is observed in Milky Way clouds; the CO slope is steeper in NGC 2207. The CO distribution in NGC 2207 also includes a nuclear ring, a mini-bar, and a mini-starburst region that dominates the 24 micron, radio, and Hα emission in both galaxies. Dust extinction, molecular column densities, and slightly negative molecular velocities indicate the mini-starburst region has ejected a jet of molecular gas nearly perpendicular to the plane of NGC 2207 on the near side with a kinetic energy of 1052 ergs. The large scale star formation efficiency, measured as the ratio of the summed masses of the star complexes near molecular clouds to the combined star complex and cloud masses, is 7% overall; it is 23% in the mini-starburst. The maximum age of star complexes in the galactic-scale shock front at the eyelid is about the same as the time since closest approach of the galaxies, suggesting a triggering process related to tidal compression.

Coherent field propagation between tilted planes.

PubMed

Stock, Johannes; Worku, Norman Girma; Gross, Herbert

2017-10-01

Propagating electromagnetic light fields between nonparallel planes is of special importance, e.g., within the design of novel computer-generated holograms or the simulation of optical systems. In contrast to the extensively discussed evaluation between parallel planes, the diffraction-based propagation of light onto a tilted plane is more burdensome, since discrete fast Fourier transforms cannot be applied directly. In this work, we propose a quasi-fast algorithm (O(N 3  log N)) that deals with this problem. Based on a proper decomposition into three rotations, the vectorial field distribution is calculated on a tilted plane using the spectrum of plane waves. The algorithm works on equidistant grids, so neither nonuniform Fourier transforms nor an explicit complex interpolation is necessary. The proposed algorithm is discussed in detail and applied to several examples of practical interest.

Mechanism and energetics of dislocation cross-slip in hcp metals

NASA Astrophysics Data System (ADS)

Wu, Zhaoxuan; Curtin, W. A.

2016-10-01

Hexagonal close-packed (hcp) metals such as Mg, Ti, and Zr are lightweight and/or durable metals with critical structural applications in the automotive (Mg), aerospace (Ti), and nuclear (Zr) industries. The hcp structure, however, brings significant complications in the mechanisms of plastic deformation, strengthening, and ductility, and these complications pose significant challenges in advancing the science and engineering of these metals. In hcp metals, generalized plasticity requires the activation of slip on pyramidal planes, but the structure, motion, and cross-slip of the associated dislocations are not well established even though they determine ductility and influence strengthening. Here, atomistic simulations in Mg reveal the unusual mechanism of dislocation cross-slip between pyramidal I and II planes, which occurs by cross-slip of the individual partial dislocations. The energy barrier is controlled by a fundamental step/jog energy and the near-core energy difference between pyramidal dislocations. The near-core energy difference can be changed by nonglide stresses, leading to tension-compression asymmetry and even a switch in absolute stability from one glide plane to the other, both features observed experimentally in Mg, Ti, and their alloys. The unique cross-slip mechanism is governed by common features of the generalized stacking fault energy surfaces of hcp pyramidal planes and is thus expected to be generic to all hcp metals. An analytical model is developed to predict the cross-slip barrier as a function of the near-core energy difference and applied stresses and quantifies the controlling features of cross-slip and pyramidal I/II stability across the family of hcp metals.

Strong Evidence for Nucleon Resonances near 1900 MeV

DOE PAGES

Anisovich, A. V.; Burkert, V.; Hadžimehmedović, M.; ...

2017-08-11

Data on the reaction yp→K +A from the CLAS experiments are used to derive the leading multipoles, E 0+, M 1-, E 1+, and M 1+, from the production threshold to 2180 MeV in 24 slices of the invariant mass. The four multipoles are determined without any constraints. The multipoles are fitted using a multichannel L+P model that allows us to search for singularities and to extract the positions of poles on the complex energy plane in an almost model-independent method. The multipoles are also used as additional constraints in an energy-dependent analysis of a large body of pion andmore » photoinduced reactions within the Bonn-Gatchina partial wave analysis. The study confirms the existence of poles due to nucleon resonances with spin parity J P=1/2 -, 1/2 +, and 3/2 + in the region at about 1.9 GeV.« less

Strong Evidence for Nucleon Resonances near 1900 MeV

NASA Astrophysics Data System (ADS)

Anisovich, A. V.; Burkert, V.; Hadžimehmedović, M.; Ireland, D. G.; Klempt, E.; Nikonov, V. A.; Omerović, R.; Osmanović, H.; Sarantsev, A. V.; Stahov, J.; Švarc, A.; Thoma, U.

2017-08-01

Data on the reaction γ p →K+Λ from the CLAS experiments are used to derive the leading multipoles, E0 +, M1 -, E1 +, and M1 +, from the production threshold to 2180 MeV in 24 slices of the invariant mass. The four multipoles are determined without any constraints. The multipoles are fitted using a multichannel L +P model that allows us to search for singularities and to extract the positions of poles on the complex energy plane in an almost model-independent method. The multipoles are also used as additional constraints in an energy-dependent analysis of a large body of pion and photoinduced reactions within the Bonn-Gatchina partial wave analysis. The study confirms the existence of poles due to nucleon resonances with spin parity JP=1 /2- , 1 /2+ , and 3 /2+ in the region at about 1.9 GeV.

Trajectory phase transitions and dynamical Lee-Yang zeros of the Glauber-Ising chain.

PubMed

Hickey, James M; Flindt, Christian; Garrahan, Juan P

2013-07-01

We examine the generating function of the time-integrated energy for the one-dimensional Glauber-Ising model. At long times, the generating function takes on a large-deviation form and the associated cumulant generating function has singularities corresponding to continuous trajectory (or "space-time") phase transitions between paramagnetic trajectories and ferromagnetically or antiferromagnetically ordered trajectories. In the thermodynamic limit, the singularities make up a whole curve of critical points in the complex plane of the counting field. We evaluate analytically the generating function by mapping the generator of the biased dynamics to a non-Hermitian Hamiltonian of an associated quantum spin chain. We relate the trajectory phase transitions to the high-order cumulants of the time-integrated energy which we use to extract the dynamical Lee-Yang zeros of the generating function. This approach offers the possibility to detect continuous trajectory phase transitions from the finite-time behavior of measurable quantities.

Optical properties of boron-group (V) hexagonal nanowires: DFT investigation

NASA Astrophysics Data System (ADS)

Santhibhushan, B.; Soni, Mahesh; Srivastava, Anurag

2017-07-01

The paper presents structural, electronic and optical properties of boron-group V hexagonal nanowires (h-NW) within the framework of density functional theory. The h-NW of boron-group V compounds with an analogous diameter of 12 Å have been designed in (1 1 1) plane. Stability analysis performed through formation energies reveal that, the stability of these structures decreases with increasing atomic number of the group V element. The band nature predicts that these nanowires are good electrical conductors. Optical behaviour of the nanowires has been analysed through absorption coefficient, reflectivity, refractive index, optical conductivity and electron energy loss spectrum (EELS), that are computed from the frequency-dependent complex dielectric function. The analysis reveals high reactivity of BP and BAs h-NWs to the incident light especially in the IR and visible ranges, and the optical transparency of BN h-NW in the visible and UV ranges.

Temperature and magnetic field effects on electron transport through DNA molecules in a two-dimensional four-channel system.

PubMed

Joe, Yong S; Lee, Sun H; Hedin, Eric R; Kim, Young D

2013-06-01

We utilize a two-dimensional four-channel DNA model, with a tight-binding (TB) Hamiltonian, and investigate the temperature and the magnetic field dependence of the transport behavior of a short DNA molecule. Random variation of the hopping integrals due to the thermal structural disorder, which partially destroy phase coherence of electrons and reduce quantum interference, leads to a reduction of the localization length and causes suppressed overall transmission. We also incorporate a variation of magnetic field flux density into the hopping integrals as a phase factor and observe Aharonov-Bohm (AB) oscillations in the transmission. It is shown that for non-zero magnetic flux, the transmission zero leaves the real-energy axis and moves up into the complex-energy plane. We also point out that the hydrogen bonds between the base pair with flux variations play a role to determine the periodicity of AB oscillations in the transmission.

First principles study of intrinsic defects in hexagonal tungsten carbide

NASA Astrophysics Data System (ADS)

Kong, Xiang-Shan; You, Yu-Wei; Xia, J. H.; Liu, C. S.; Fang, Q. F.; Luo, G.-N.; Huang, Qun-Ying

2010-11-01

The characteristics of intrinsic defects are important for the understanding of self-diffusion processes, mechanical strength, brittleness, and plasticity of tungsten carbide, which are present in the divertor of fusion reactors. Here, we use first-principles calculations to investigate the stability of point defects and their complexes in tungsten carbide. Our results confirm that the defect formation energies of carbon are much lower than that of tungsten and reveal the carbon vacancy to be the dominant defect in tungsten carbide. The C sbnd C dimer configuration along the dense a direction is the most stable configuration of carbon interstitial defect. The results of carbon defect diffusion show that the carbon vacancy stay for a wide range of temperature because of extremely high diffusion barriers, while carbon interstitial migration is activated at lower temperatures for its considerably lower activation energy. Both of them prefer to diffusion in carbon basal plane.

Magneto-optical spectroscopy of ferromagnetic shape-memory Ni-Mn-Ga alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Veis, M., E-mail: veis@karlov.mff.cuni.cz; Beran, L.; Zahradnik, M.

2014-05-07

Magneto-optical properties of single crystal of Ni{sub 50.1}Mn{sub 28.4}Ga{sub 21.5} magnetic shape memory alloy in martensite and austenite phase were systematically studied. Crystal orientation was approximately along (100) planes of parent cubic austenite. At room temperature, the sample was in modulated 10M martensite phase and transformed to cubic austenite at 323 K. Spectral dependence of polar magneto-optical Kerr effect was obtained by generalized magneto-optical ellipsometry with rotating analyzer in the photon energy range from 1.2 to 4 eV, and from room temperature to temperature above the Curie point. The Kerr rotation spectra exhibit prominent features typical for complexes containing Mn atoms. Significantmore » spectral changes during transformation to austenite can be explained by different optical properties caused by changes in density of states near the Fermi energy.« less

Highly selective electrodeposition of sub-10 nm crystalline noble metallic nanorods inside vertically aligned multiwall carbon nanotubes.

PubMed

Wang, Xuyang; Wang, Ranran; Wu, Qiang; Zhang, Xiaohua; Yang, Zhaohui; Guo, Jun; Chen, Muzi; Tang, Minghua; Cheng, Yajun; Chu, Haibin

2016-07-08

In this paper crystalline noble metallic nanorods including Au and Ag with sub-10 nm diameter, are encapsulated within prealigned and open-ended multiwall carbon nanotubes (MWCNTs) through an electrodeposition method. As the external surface of CNTs has been insulated by the epoxy the CNT channel becomes the only path for the mass transport as well as the nanoreactor for the metal deposition. Highly crystallized Au and Ag2O nanorods parallel to the radial direction of CNTs are confirmed by high-resolution transmission electron microscopy, energy dispersive x-ray spectroscopy and x-ray powder diffraction spectroscopy. The Ag2O nanorods are formed by air oxidation on the Ag metals and show a single crystalline structure with (111) planes. The Au nanorods exhibit a complex crystalline structure including twin-crystal and lattice dislocation with (111) and (200) planes. These crystalline noble metallic nanostructures may have important applications for nanocatalysts for fuel cells as well as nanoelectronic and nanophotonic devices. This method is deemed to benefit the precise deposition of other crystalline nanostructures inside CNTs with a small diameter.

Highly selective electrodeposition of sub-10 nm crystalline noble metallic nanorods inside vertically aligned multiwall carbon nanotubes

NASA Astrophysics Data System (ADS)

Wang, Xuyang; Wang, Ranran; Wu, Qiang; Zhang, Xiaohua; Yang, Zhaohui; Guo, Jun; Chen, Muzi; Tang, Minghua; Cheng, Yajun; Chu, Haibin

2016-07-01

In this paper crystalline noble metallic nanorods including Au and Ag with sub-10 nm diameter, are encapsulated within prealigned and open-ended multiwall carbon nanotubes (MWCNTs) through an electrodeposition method. As the external surface of CNTs has been insulated by the epoxy the CNT channel becomes the only path for the mass transport as well as the nanoreactor for the metal deposition. Highly crystallized Au and Ag2O nanorods parallel to the radial direction of CNTs are confirmed by high-resolution transmission electron microscopy, energy dispersive x-ray spectroscopy and x-ray powder diffraction spectroscopy. The Ag2O nanorods are formed by air oxidation on the Ag metals and show a single crystalline structure with (111) planes. The Au nanorods exhibit a complex crystalline structure including twin-crystal and lattice dislocation with (111) and (200) planes. These crystalline noble metallic nanostructures may have important applications for nanocatalysts for fuel cells as well as nanoelectronic and nanophotonic devices. This method is deemed to benefit the precise deposition of other crystalline nanostructures inside CNTs with a small diameter.

Aerodynamic Design and Numerical Analysis of Supersonic Turbine for Turbo Pump

NASA Astrophysics Data System (ADS)

Fu, Chao; Zou, Zhengping; Kong, Qingguo; Cheng, Honggui; Zhang, Weihao

2016-09-01

Supersonic turbine is widely used in the turbo pump of modern rocket. A preliminary design method for supersonic turbine has been developed considering the coupling effects of turbine and nozzle. Numerical simulation has been proceeded to validate the feasibility of the design method. As the strong shockwave reflected on the mixing plane, additional numerical simulated error would be produced by the mixing plane model in the steady CFD. So unsteady CFD is employed to investigate the aerodynamic performance of the turbine and flow field in passage. Results showed that the preliminary design method developed in this paper is suitable for designing supersonic turbine. This periodical variation of complex shockwave system influences the development of secondary flow, wake and shock-boundary layer interaction, which obviously affect the secondary loss in vane passage. The periodical variation also influences the strength of reflecting shockwave, which affects the profile loss in vane passage. Besides, high circumferential velocity at vane outlet and short blade lead to high radial pressure gradient, which makes the low kinetic energy fluid moves towards hub region and produces additional loss.

Full-band quantum simulation of electron devices with the pseudopotential method: Theory, implementation, and applications

NASA Astrophysics Data System (ADS)

Pala, M. G.; Esseni, D.

2018-03-01

This paper presents the theory, implementation, and application of a quantum transport modeling approach based on the nonequilibrium Green's function formalism and a full-band empirical pseudopotential Hamiltonian. We here propose to employ a hybrid real-space/plane-wave basis that results in a significant reduction of the computational complexity compared to a full plane-wave basis. To this purpose, we provide a theoretical formulation in the hybrid basis of the quantum confinement, the self-energies of the leads, and the coupling between the device and the leads. After discussing the theory and the implementation of the new simulation methodology, we report results for complete, self-consistent simulations of different electron devices, including a silicon Esaki diode, a thin-body silicon field effect transistor (FET), and a germanium tunnel FET. The simulated transistors have technologically relevant geometrical features with a semiconductor film thickness of about 4 nm and a channel length ranging from 10 to 17 nm. We believe that the newly proposed formalism may find applications also in transport models based on ab initio Hamiltonians, as those employed in density functional theory methods.

Spatiotemporal electrochemical measurements across an electric double layer capacitor electrode with application to aqueous sodium hybrid batteries

NASA Astrophysics Data System (ADS)

Tully, Katherine C.; Whitacre, Jay F.; Litster, Shawn

2014-02-01

This paper presents in-situ spatiotemporal measurements of the electrolyte phase potential within an electric double layer capacitor (EDLC) negative electrode as envisaged for use in an aqueous hybrid battery for grid-scale energy storage. The ultra-thick electrodes used in these batteries to reduce non-functional material costs require sufficiently fast through-plane mass and charge transport to attain suitable charging and discharging rates. To better evaluate the through-plane transport, we have developed an electrode scaffold (ES) for making in situ electrolyte potential distribution measurements at discrete known distances across the thickness of an uninterrupted EDLC negative electrode. Using finite difference methods, we calculate local current, volumetric charging current and charge storage distributions from the spatiotemporal electrolyte potential measurements. These potential distributions provide insight into complex phenomena that cannot be directly observed using other existing methods. Herein, we use the distributions to identify areas of the electrode that are underutilized, assess the effects of various parameters on the cumulative charge storage distribution, and evaluate an effectiveness factor for charge storage in EDLC electrodes.

Fine-scale features in the far-field of a turbulent jet

NASA Astrophysics Data System (ADS)

Buxton, Oliver; Ganapathisubramani, Bharathram

2008-11-01

The structure of a fully turbulent axisymmetric jet, at Reynolds number based on jet exit conditions of 5000, is investigated with cinematographic (1 kHz) stereoscopic PIV in a plane normal to the jet axis. Taylor's hypothesis is employed to calculate all three velocity gradients in the axial direction. The technique's resolution allows all terms of the velocity gradient tensor, hence strain rate tensor and kinetic energy dissipation, to be computed at each point within the plane. The data reveals that the vorticity field is dominated by high enstrophy tube-like structures. Conversely, the dissipation field appears to consist of sheet-like structures. Several criteria for isolating these strongly swirling vortical structures from the background turbulence were employed. One such technique involves isolating points in which the velocity gradient tensor has a real and a pair of complex conjugate eigenvectors. Once identified, the alignment of the various structures with relation to the vorticity vector and the real velocity gradient tensor eigenvector is investigated. The effect of the strain field on the geometry of the structures is also examined.

Extraction of skin-friction fields from surface flow visualizations as an inverse problem

NASA Astrophysics Data System (ADS)

Liu, Tianshu

2013-12-01

Extraction of high-resolution skin-friction fields from surface flow visualization images as an inverse problem is discussed from a unified perspective. The surface flow visualizations used in this study are luminescent oil-film visualization and heat-transfer and mass-transfer visualizations with temperature- and pressure-sensitive paints (TSPs and PSPs). The theoretical foundations of these global methods are the thin-oil-film equation and the limiting forms of the energy- and mass-transport equations at a wall, which are projected onto the image plane to provide the relationships between a skin-friction field and the relevant quantities measured by using an imaging system. Since these equations can be re-cast in the same mathematical form as the optical flow equation, they can be solved by using the variational method in the image plane to extract relative or normalized skin-friction fields from images. Furthermore, in terms of instrumentation, essentially the same imaging system for measurements of luminescence can be used in these surface flow visualizations. Examples are given to demonstrate the applications of these methods in global skin-friction diagnostics of complex flows.

Direct Numerical Simulation of Complex Turbulence

NASA Astrophysics Data System (ADS)

Hsieh, Alan

Direct numerical simulations (DNS) of spanwise-rotating turbulent channel flow were conducted. The data base obtained from these DNS simulations were used to investigate the turbulence generation cycle for simple and complex turbulence. For turbulent channel flow, three theoretical models concerning the formation and evolution of sublayer streaks, three-dimensional hairpin vortices and propagating plane waves were validated using visualizations from the present DNS data. The principal orthogonal decomposition (POD) method was used to verify the existence of the propagating plane waves; a new extension of the POD method was derived to demonstrate these plane waves in a spatial channel model. The analyses of coherent structures was extended to complex turbulence and used to determine the proper computational box size for a minimal flow unit (MFU) at Rob < 0.5. Proper realization of Taylor-Gortler vortices in the highly turbulent pressure region was demonstrated to be necessary for acceptably accurate MFU turbulence statistics, which required a minimum spanwise domain length Lz = pi. A dependence of MFU accuracy on Reynolds number was also discovered and MFU models required a larger domain to accurately approximate higher-Reynolds number flows. In addition, the results obtained from the DNS simulations were utilized to evaluate several turbulence closure models for momentum and thermal transport in rotating turbulent channel flow. Four nonlinear eddy viscosity turbulence models were tested and among these, Explicit Algebraic Reynolds Stress Models (EARSM) obtained the Reynolds stress distributions in best agreement with DNS data for rotational flows. The modeled pressure-strain functions of EARSM were shown to have strong influence on the Reynolds stress distributions near the wall. Turbulent heatflux distributions obtained from two explicit algebraic heat flux models consistently displayed increasing disagreement with DNS data with increasing rotation rate. Results were also obtained regarding flow control of fully-developed spatially-evolving turbulent channel flow using phononic subsurface structures. Fluid-structure interaction (FSI) simulations were conducted by attaching phononic structures to the bottom wall of a turbulent channel flow field and reduction of turbulent kinetic energy was observed for different phononic designs.

Use of One Time Pad Algorithm for Bit Plane Security Improvement

NASA Astrophysics Data System (ADS)

Suhardi; Suwilo, Saib; Budhiarti Nababan, Erna

2017-12-01

BPCS (Bit-Plane Complexity Segmentation) which is one of the steganography techniques that utilizes the human vision characteristics that cannot see the change in binary patterns that occur in the image. This technique performs message insertion by making a switch to a high-complexity bit-plane or noise-like regions with bits of secret messages. Bit messages that were previously stored precisely result the message extraction process to be done easily by rearranging a set of previously stored characters in noise-like region in the image. Therefore the secret message becomes easily known by others. In this research, the process of replacing bit plane with message bits is modified by utilizing One Time Pad cryptography technique which aims to increase security in bit plane. In the tests performed, the combination of One Time Pad cryptographic algorithm to the steganography technique of BPCS works well in the insertion of messages into the vessel image, although in insertion into low-dimensional images is poor. The comparison of the original image with the stegoimage looks identical and produces a good quality image with a mean value of PSNR above 30db when using a largedimensional image as the cover messages.

Free energy and phase transition of the matrix model on a plane wave

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hadizadeh, Shirin; Ramadanovic, Bojan; Semenoff, Gordon W.

2005-03-15

It has recently been observed that the weakly coupled plane-wave matrix model has a density of states which grows exponentially at high energy. This implies that the model has a phase transition. The transition appears to be of first order. However, its exact nature is sensitive to interactions. In this paper, we analyze the effect of interactions by computing the relevant parts of the effective potential for the Polyakov loop operator in the finite temperature plane-wave matrix model to three-loop order. We show that the phase transition is indeed of first order. We also compute the correction to the Hagedornmore » temperature to order two loops.« less

Few-layered MnO2/SWCNT hybrid in-plane supercapacitor with high energy density

NASA Astrophysics Data System (ADS)

Dutta, Shibsankar; Pal, Shreyasi; De, Sukanta

2018-05-01

In this present work we have synthesized few layered MnO2 nanosheets by mixed solvent exfoliation process for the application as electrode material of in-plane supercapacitor. The Structure and surface morphology of the as prepared samples are characterized by Raman, Transmission electron microscopy and Scanning electron microscopy. The patterns of the hybrids were directly fabricated by (50: 50 wt %) mixture of MnO2 and SWCNT dispersions with the help of a customized mask, and directly transferred onto a flexible PET substrate. Remarkably, the prepared in-plane supercapacitors deliver high energy density of 2.62mWh/cm2. Furthermore, our supercapacitors shows exceptional flexibility and stable performance under bending conditions

Aquantis C-Plane Ocean Current Turbine Project

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fleming, Alex

The Aquantis 2.5 MW Ocean Current Generation Device technology developed by Dehlsen Associates, LLC (DA) is a derivation of wind power generating technology (a means of harnessing a slow moving fluid) adapted to the ocean environment. The Aquantis Project provides an opportunity for accelerated technological development and early commercialization, since it involves the joining of two mature disciplines: ocean engineering and wind turbine design. The Aquantis Current Plane (C-Plane) technology is an ocean current turbine designed to extract kinetic energy from a current flow. The technology is capable of achieving competitively priced, continuous, base-load, and reliable power generation from amore » source of renewable energy not before possible in this scale or form.« less

Gas Phase Conformations and Methyl Internal Rotation for 2-PHENYLETHYL Methyl Ether and its Argon Van Der Waals Complex from Fourier Transform Microwave Spectroscopy

NASA Astrophysics Data System (ADS)

Gurusinghe, Ranil M.; Tubergen, Michael

2015-06-01

A mini-cavity microwave spectrometer was used to record the rotational spectra arising from 2-phenylethyl methyl ether and its weakly bonded argon complex in the frequency range of 10.5 - 22 GHz. Rotational spectra were found for two stable conformations of the monomer: anti-anti and gauche-anti, which are 1.4 kJ mol-1 apart in energy at wB97XD/6-311++G(d,p) level. Doubled rotational transitions, arising from internal motion of the methyl group, were observed for both conformers. The program XIAM was used to fit the rotational constants, centrifugal distortion constants, and barrier to internal rotation to the measured transition frequencies of the A and E internal rotation states. The best global fit values of the rotational constants for the anti-anti conformer are A= 3799.066(3) MHz, B= 577.95180(17) MHz, C= 544.7325(3) MHz and the A state rotational constants of the gauche-anti conformer are A= 2676.1202(7) MHz, B= 760.77250(2) MHz, C= 684.78901(2) MHz. The rotational spectrum of 2-phenylethyl methyl ether - argon complex is consistent with the geometry where argon atom lies above the plane of the benzene moiety of gauche-anti conformer. Tunneling splittings were too small to resolve within experimental accuracy, likely due to an increase in three fold potential barrier when the argon complex is formed. Fitted rotational constants are A= 1061.23373(16) MHz, B= 699.81754(7) MHz, C= 518.33553(7) MHz. The lowest energy solvated ether - water complex with strong intermolecular hydrogen bonding has been identified theoretically. Progress on the assignment of the water complex will also be presented.

Optimal damper placement research

NASA Astrophysics Data System (ADS)

Smirnov, Vladimir; Kuzhin, Bulat

2017-10-01

Nowadays increased noise and vibration pollution on technopark and research laboratories territories, which is negatively influencing on production of high-precision measuring instruments. The problem is actual for transport hubs, which experience influence of machines, vehicles, trains and planes. Energy efficiency is one of major functions in modern road transport development. The problem of environmental pollution, lack of energy resources and energy efficiency requires research, production and implementation of energy efficient materials that would be the foundation of environmentally sustainable transport infrastructure in road traffic. Improving the efficiency of energy use is a leading option to gain better energy security, improve industry profitability and competitiveness, and reduce the overall energy sector impacts on climate change. This paper has next indirect goals. Research impact of vibration on constructions, such as bus and train stations, terminals, which are mostly exposed to oscillation. Extend the buildings operation by decreasing the negative influence. Reduce expenses on maintenance and repair works. It is important not to forget about seismic protection, which is actual nowadays, when the safety stands first. Analysis of devastating earthquakes for last few years proves reasonableness of application such systems. The article is dedicated to learning dependence of damper location on natural frequency. As a model for analyze was simulated concrete construction with variable profile. We used program complex Patran for analyzing the model.

The ΩDE-ΩM Plane in Dark Energy Cosmology

NASA Astrophysics Data System (ADS)

Qiang, Yuan; Zhang, Tong-Jie

The dark energy cosmology with the equation of state w=const. is considered in this paper. The ΩDE-ΩM plane has been used to study the present state and expansion history of the universe. Through the mathematical analysis, we give the theoretical constraint of cosmological parameters. Together with some observations such as the transition redshift from deceleration to acceleration, more precise constraint on cosmological parameters can be acquired.

Absorption dynamics and delay time in complex potentials

NASA Astrophysics Data System (ADS)

Villavicencio, Jorge; Romo, Roberto; Hernández-Maldonado, Alberto

2018-05-01

The dynamics of absorption is analyzed by using an exactly solvable model that deals with an analytical solution to Schrödinger’s equation for cutoff initial plane waves incident on a complex absorbing potential. A dynamical absorption coefficient which allows us to explore the dynamical loss of particles from the transient to the stationary regime is derived. We find that the absorption process is characterized by the emission of a series of damped periodic pulses in time domain, associated with damped Rabi-type oscillations with a characteristic frequency, ω = (E + ε)/ℏ, where E is the energy of the incident waves and ‑ε is energy of the quasidiscrete state of the system induced by the absorptive part of the Hamiltonian; the width γ of this resonance governs the amplitude of the pulses. The resemblance of the time-dependent absorption coefficient with a real decay process is discussed, in particular the transition from exponential to nonexponential regimes, a well-known feature of quantum decay. We have also analyzed the effect of the absorptive part of the potential on the dynamical delay time, which behaves differently from the one observed in attractive real delta potentials, exhibiting two regimes: time advance and time delay.

Strain effects on the electronic properties in δ-doped oxide superlattices

NASA Astrophysics Data System (ADS)

You, Jeong Ho; Lee, Jun Hee; Okamoto, Satoshi; Cooper, Valentino; Lee, Ho Nyung

2015-03-01

Strain effects on the electronic properties of (LaTiO3)1/(SrTiO3)N superlattices were investigated using density functional theory. Under biaxial in-plane strain within the range of -5% ≤ ɛ// ≤ 5%, the dxy orbital electrons are highly localized at the interfaces whereas the dyz and dxz orbital electrons are more distributed in the SrTiO3 (STO) spacer layers. For STO thickness N ≥ 3 unit cells (u.c.), the dxy orbital electrons form two-dimensional (2D) electron gases (2DEGs). The quantized energy levels of the 2DEG are insensitive to the STO spacer thickness, but are strongly dependent on the applied biaxial in-plane strain. As the in-plane strain changes from compressive to tensile, the quantized energy levels of the dxy orbitals decrease thereby creating more states with 2D character. In contrast to the dxy orbital, the dyz and dxz orbitals always have three-dimensional (3D) transport characteristics and their energy levels increase as the strain changes from compressive to tensile. Since the charge densities in the dxy orbital and the dyz and dxz orbitals respond to biaxial in-plane strain in an opposite way, the transport dimensionality of the majority carriers can be controlled between 2D and 3D by applying biaxial in-plane strain.

Computed tomography arthrography using a radial plane view for the detection of triangular fibrocartilage complex foveal tears.

PubMed

Moritomo, Hisao; Arimitsu, Sayuri; Kubo, Nobuyuki; Masatomi, Takashi; Yukioka, Masao

2015-02-01

To classify triangular fibrocartilage complex (TFCC) foveal lesions on the basis of computed tomography (CT) arthrography using a radial plane view and to correlate the CT arthrography results with surgical findings. We also tested the interobserver and intra-observer reliability of the radial plane view. A total of 33 patients with a suspected TFCC foveal tear who had undergone wrist CT arthrography and subsequent surgical exploration were enrolled. We classified the configurations of TFCC foveal lesions into 5 types on the basis of CT arthrography with the radial plane view in which the image slices rotate clockwise centered on the ulnar styloid process. Sensitivity, specificity, and positive predictive values were calculated for each type of foveal lesion in CT arthrography to detect foveal tears. We determined interobserver and intra-observer agreements using kappa statistics. We also compared accuracies with the radial plane views with those with the coronal plane views. Among the tear types on CT arthrography, type 3, a roundish defect at the fovea, and type 4, a large defect at the overall ulnar insertion, had high specificity and positive predictive value for the detection of foveal tears. Specificity and positive predictive values were 90% and 89% for type 3 and 100% and 100% for type 4, respectively, whereas sensitivity was 35% for type 3 and 22% for type 4. Interobserver and intra-observer agreement was substantial and almost perfect, respectively. The radial plane view identified foveal lesion of each palmar and dorsal radioulnar ligament separately, but accuracy results with the radial plane views were not statistically different from those with the coronal plane views. Computed tomography arthrography with a radial plane view exhibited enhanced specificity and positive predictive value when a type 3 or 4 lesion was identified in the detection of a TFCC foveal tear compared with historical controls. Diagnostic II. Copyright © 2015 American Society for Surgery of the Hand. Published by Elsevier Inc. All rights reserved.

On the maximum-entropy/autoregressive modeling of time series

NASA Technical Reports Server (NTRS)

Chao, B. F.

1984-01-01

The autoregressive (AR) model of a random process is interpreted in the light of the Prony's relation which relates a complex conjugate pair of poles of the AR process in the z-plane (or the z domain) on the one hand, to the complex frequency of one complex harmonic function in the time domain on the other. Thus the AR model of a time series is one that models the time series as a linear combination of complex harmonic functions, which include pure sinusoids and real exponentials as special cases. An AR model is completely determined by its z-domain pole configuration. The maximum-entropy/autogressive (ME/AR) spectrum, defined on the unit circle of the z-plane (or the frequency domain), is nothing but a convenient, but ambiguous visual representation. It is asserted that the position and shape of a spectral peak is determined by the corresponding complex frequency, and the height of the spectral peak contains little information about the complex amplitude of the complex harmonic functions.

Multidirection Piezoelectricity in Mono- and Multilayered Hexagonal α-In2Se3.

PubMed

Xue, Fei; Zhang, Junwei; Hu, Weijin; Hsu, Wei-Ting; Han, Ali; Leung, Siu-Fung; Huang, Jing-Kai; Wan, Yi; Liu, Shuhai; Zhang, Junli; He, Jr-Hau; Chang, Wen-Hao; Wang, Zhong Lin; Zhang, Xixiang; Li, Lain-Jong

2018-05-22

Piezoelectric materials have been widely used for sensors, actuators, electronics, and energy conversion. Two-dimensional (2D) ultrathin semiconductors, such as monolayer h-BN and MoS 2 with their atom-level geometry, are currently emerging as new and attractive members of the piezoelectric family. However, their piezoelectric polarization is commonly limited to the in-plane direction of odd-number ultrathin layers, largely restricting their application in integrated nanoelectromechanical systems. Recently, theoretical calculations have predicted the existence of out-of-plane and in-plane piezoelectricity in monolayer α-In 2 Se 3 . Here, we experimentally report the coexistence of out-of-plane and in-plane piezoelectricity in monolayer to bulk α-In 2 Se 3 , attributed to their noncentrosymmetry originating from the hexagonal stacking. Specifically, the corresponding d 33 piezoelectric coefficient of α-In 2 Se 3 increases from 0.34 pm/V (monolayer) to 5.6 pm/V (bulk) without any odd-even effect. In addition, we also demonstrate a type of α-In 2 Se 3 -based flexible piezoelectric nanogenerator as an energy-harvesting cell and electronic skin. The out-of-plane and in-plane piezoelectricity in α-In 2 Se 3 flakes offers an opportunity to enable both directional and nondirectional piezoelectric devices to be applicable for self-powered systems and adaptive and strain-tunable electronics/optoelectronics.

Low frequency acoustic microscope

DOEpatents

Khuri-Yakub, Butrus T.

1986-11-04

A scanning acoustic microscope is disclosed for the detection and location of near surface flaws, inclusions or voids in a solid sample material. A focused beam of acoustic energy is directed at the sample with its focal plane at the subsurface flaw, inclusion or void location. The sample is scanned with the beam. Detected acoustic energy specularly reflected and mode converted at the surface of the sample and acoustic energy reflected by subsurface flaws, inclusions or voids at the focal plane are used for generating an interference signal which is processed and forms a signal indicative of the subsurface flaws, inclusions or voids.

A dosimetry study comparing NCS report-5, IAEA TRS-381, AAPM TG-51 and IAEA TRS-398 in three clinical electron beam energies

NASA Astrophysics Data System (ADS)

Palmans, Hugo; Nafaa, Laila; de Patoul, Nathalie; Denis, Jean-Marc; Tomsej, Milan; Vynckier, Stefaan

2003-05-01

New codes of practice for reference dosimetry in clinical high-energy photon and electron beams have been published recently, to replace the air kerma based codes of practice that have determined the dosimetry of these beams for the past twenty years. In the present work, we compared dosimetry based on the two most widespread absorbed dose based recommendations (AAPM TG-51 and IAEA TRS-398) with two air kerma based recommendations (NCS report-5 and IAEA TRS-381). Measurements were performed in three clinical electron beam energies using two NE2571-type cylindrical chambers, two Markus-type plane-parallel chambers and two NACP-02-type plane-parallel chambers. Dosimetry based on direct calibrations of all chambers in 60Co was investigated, as well as dosimetry based on cross-calibrations of plane-parallel chambers against a cylindrical chamber in a high-energy electron beam. Furthermore, 60Co perturbation factors for plane-parallel chambers were derived. It is shown that the use of 60Co calibration factors could result in deviations of more than 2% for plane-parallel chambers between the old and new codes of practice, whereas the use of cross-calibration factors, which is the first recommendation in the new codes, reduces the differences to less than 0.8% for all situations investigated here. The results thus show that neither the chamber-to-chamber variations, nor the obtained absolute dose values are significantly altered by changing from air kerma based dosimetry to absorbed dose based dosimetry when using calibration factors obtained from the Laboratory for Standard Dosimetry, Ghent, Belgium. The values of the 60Co perturbation factor for plane-parallel chambers (katt . km for the air kerma based and pwall for the absorbed dose based codes of practice) that are obtained from comparing the results based on 60Co calibrations and cross-calibrations are within the experimental uncertainties in agreement with the results from other investigators.

Oblique superposition of two elliptically polarized lightwaves using geometric algebra: is energy-momentum conserved?

PubMed

Sze, Michelle Wynne C; Sugon, Quirino M; McNamara, Daniel J

2010-11-01

In this paper, we use Clifford (geometric) algebra Cl(3,0) to verify if electromagnetic energy-momentum density is still conserved for oblique superposition of two elliptically polarized plane waves with the same frequency. We show that energy-momentum conservation is valid at any time only for the superposition of two counter-propagating elliptically polarized plane waves. We show that the time-average energy-momentum of the superposition of two circularly polarized waves with opposite handedness is conserved regardless of the propagation directions of the waves. And, we show that the resulting momentum density of the superposed waves generally has a vector component perpendicular to the momentum densities of the individual waves.

Active flutter suppression using dipole filters

NASA Technical Reports Server (NTRS)

Srinathkumar, S.; Waszak, Martin R.

1992-01-01

By using traditional control concepts of gain root locus, the active suppression of a flutter mode of a flexible wing is examined. It is shown that the attraction of the unstable mode towards a critical system zero determines the degree to which the flutter mode can be stabilized. For control situations where the critical zero is adversely placed in the complex plane, a novel compensation scheme called a 'Dipole' filter is proposed. This filter ensures that the flutter mode is stabilized with acceptable control energy. The control strategy is illustrated by designing flutter suppression laws for an active flexible wing (AFW) wind-tunnel model, where minimal control effort solutions are mandated by control rate saturation problems caused by wind-tunnel turbulence.

Optical reversible programmable Boolean logic unit.

PubMed

Chattopadhyay, Tanay

2012-07-20

Computing with reversibility is the only way to avoid dissipation of energy associated with bit erase. So, a reversible microprocessor is required for future computing. In this paper, a design of a simple all-optical reversible programmable processor is proposed using a polarizing beam splitter, liquid crystal-phase spatial light modulators, a half-wave plate, and plane mirrors. This circuit can perform 16 logical operations according to three programming inputs. Also, inputs can be easily recovered from the outputs. It is named the "reversible programmable Boolean logic unit (RPBLU)." The logic unit is the basic building block of many complex computational operations. Hence the design is important in sense. Two orthogonally polarized lights are defined here as two logical states, respectively.

Optimal symmetric flight with an intermediate vehicle model

NASA Technical Reports Server (NTRS)

Menon, P. K. A.; Kelley, H. J.; Cliff, E. M.

1983-01-01

Optimal flight in the vertical plane with a vehicle model intermediate in complexity between the point-mass and energy models is studied. Flight-path angle takes on the role of a control variable. Range-open problems feature subarcs of vertical flight and singular subarcs. The class of altitude-speed-range-time optimization problems with fuel expenditure unspecified is investigated and some interesting phenomena uncovered. The maximum-lift-to-drag glide appears as part of the family, final-time-open, with appropriate initial and terminal transient exceeding level-flight drag, some members exhibiting oscillations. Oscillatory paths generally fail the Jacobi test for durations exceeding a period and furnish a minimum only for short-duration problems.

Phase-field modeling of void anisotropic growth behavior in irradiated zirconium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Han, G. M.; Wang, H.; Lin, De-Ye

2017-06-01

A three-dimensional (3D) phase field model was developed to study the effects of surface energy and diffusivity anisotropy on void growth behavior in irradiated Zr. The gamma surface energy function, which is used in the phase field model, was developed with the surface energy anisotropy calculated from the molecular dynamics (MD) simulations. It is assumed that vacancies have much larger mobility in c-axis than a- and b- axes while interstitials have much larger mobility in basal plane then that in c-axis. With the model, the equilibrium void morphology and the effect of defect concentrations and defect mobility anisotropy on voidmore » growth behavior were simulated. The simulations demonstrated that 1) The developed phase-field model can correctly reproduce the faceted void morphology predicted by the Wullf construction. 2) With isotropic diffusivity the void prefers to grow on the basal plane. 3) When the vacancy has large mobility along c-axis and interstitial has a large mobility on the basal plane of hexagonal closed packed (hcp) Zr alloys a platelet void grows in c-direction and shrinks on the basal plane, which is in agreement with the experimental observation of void growth behavior in irradiated Zr.« less

High-energy e- /e+ spectrometer via coherent interaction in a bent crystal

NASA Astrophysics Data System (ADS)

Bagli, Enrico; Guidi, Vincenzo; Howard, Alexander

2018-01-01

We propose a novel spectrometer based on the crystal channeling effect capable of discriminating between positive and negative particles well beyond the TeV energy scale. The atomic order of a crystalline structure generates an electrostatic field built up by all the atoms in the crystals, which confines charged particle trajectories between neighbouring atomic planes. Through such an interaction in a tiny curved crystal, the same dynamical action on the highest energy particles as that of a huge superconducting magnet is achieved. Depending on the charge sign, points of equilibrium of the oscillatory motion under channeling lie between or on atomic planes for positive and negative particles, respectively, forcing positive particles to stably oscillate far from the planes, while negative ones repeatedly cross them. The different interaction rate with atomic planes causes a tremendous discrepancy between the deflection efficiency of positive and negative particles under channeling. We suggest the use of interactions between charged particles and oriented bent crystals as a novel non-cryogenic passive charge spectrometer to aid the search for dark matter in the Universe in satellite-borne experiment. The limited angular acceptance makes this technique particularly suited for directional local sources of energetic charged particles.

New insights into classical solutions of the local instability of the sandwich panels problem

NASA Astrophysics Data System (ADS)

Pozorska, Jolanta; Pozorski, Zbigniew

2016-06-01

The paper concerns the problem of local instability of thin facings of a sandwich panel. The classic analytical solutions are compared and examined. The Airy stress function is applied in the case of the state of plane stress and the state of plane strain. Wrinkling stress values are presented. The differences between the results obtained using the differential equations method and energy method are discussed. The relations between core strain energies are presented.

The Simbol-X Focal Plane

NASA Astrophysics Data System (ADS)

Laurent, P.

2009-05-01

The Simbol-X focal plane is designed to detect photons focused by the mirror in the 0.5 to 100 keV energy band. Composed of two detectors, it will measure the position, energy, and arrival time of each incoming X-ray. On top of it will be a collimator to shield all photons not coming from the mirror field of view. The whole system is surrounded by an active and passive shielding in order to ensure the required very low background.

Effects of strain relaxation in Pr 0.67Sr 0.33MnO 3 films probed by polarization dependent X-ray absorption near edge structure

DOE PAGES

zhang, Bangmin; Chen, Jingsheng; Venkatesan, T.; ...

2016-01-28

In this study, the Mn K edge X-ray absorption near edge structure (XANES) of Pr 0.67Sr 0.33MnO 3 films with different thicknesses on (001) LaAlO 3 substrate were measured, and the effects of strain relaxation on film properties were investigated. The films experienced in-plane compressive strain and out-of-plane tensile strain. Strain relaxation evolved with the film thickness. In the polarization dependent XANES measurements, the in-plane (parallel) and out-of-plane (perpendicular) XANES spectrocopies were anisotropic with different absorption energy E r. The resonance energy Er along two directions shifted towards each other with increasing film thickness. Based on the X-ray diffraction results,more » it was suggested that the strain relaxation weakened the difference of the local environment and probability of electronic charge transfer (between Mn 3d and O 2p orbitals) along the in-plane and out-of-plane directions, which was responsible for the change of E r. XANES is a useful tool to probe the electronic structures, of which the effects on magnetic properties with the strain relaxation was also been studied.« less

Modification of the sagittal split osteotomy of the mandibular ramus: mobilizing vertical osteotomy of the internal ramus segment.

PubMed

Ricard, Daniel; Ferri, Joël

2009-08-01

We describe a new surgical procedure to improve stability when counterclockwise rotation of the maxillomandibular complex and the occlusal plane is intended. This preliminary prospective study evaluated 10 patients (8 female patients and 2 male patients) who each underwent maxillomandibular surgical advancement with counterclockwise rotation of the occlusal plane. A mandibular counterclockwise rotation was done in all cases with bilateral ramus sagittal split osteotomy. After the split of the ramus had been completed, a vertical osteotomy was done distally to the second molar on the internal ramus segment. With the completion of this vertical osteotomy, the internal ramus segment became completely mobile. All osteotomies were stabilized with rigid internal fixation by use of plates with monocortical screws. Ten patients have been treated with the "mobilizing vertical osteotomy of the internal ramus segment." The mean reduction of the occlusal plane angle was 10.1 degrees , showing a substantial counterclockwise rotation of the maxillomandibular complex. All patients had significant improvement of their facial balance. After a 1-year follow-up period, all cases but 1 showed very good stability of their occlusion and occlusal plane angle. An 11.4% relapse of the forward movement of the mandible was noted. On the basis of this prospective study, we conclude that when performing a counterclockwise rotation of the maxillomandibular complex, the mobilizing vertical osteotomy of the internal ramus segment combined with the sagittal split osteotomy of the mandible potentially enhances the occlusal plane angle and occlusal stability after a 1-year period.

Synthesis, Structure, and Physical Properties for a Series of Monomeric Iron(III) Hydroxo Complexes with Varying Hydrogen-Bond Networks

PubMed Central

Mukherjee, Jhumpa; Lucas, Robie L.; Zart, Matthew K.; Powell, Douglas R.; Day, Victor W.; Borovik, A. S.

2013-01-01

Mononuclear iron(III) complexes with terminal hydroxo ligands are proposed to be important species in several metalloproteins, but they have been difficult to isolate in synthetic systems. Using a series of amidate/ureido tripodal ligands, we have prepared and characterized monomeric FeIIIOH complexes with similar trigonal-bipyramidal primary coordination spheres. Three anionic nitrogen donors define the trigonal plane, and the hydroxo oxygen atom is trans to an apical amine nitrogen atom. The complexes have varied secondary coordination spheres that are defined by intramolecular hydrogen bonds between the FeIIIOH unit and the urea NH groups. Structural trends were observed between the number of hydrogen bonds and the Fe–Ohydroxo bond distances: the more intramolecular hydrogen bonds there were, the longer the Fe–O bond became. Spectroscopic trends were also found, including an increase in the energy of the O–H vibrations with a decrease in the number of hydrogen bonds. However, the FeIII/II reduction potentials were constant throughout the series (∼2.0 V vs [Cp2Fe]0/+1), which is ascribed to a balancing of the primary and secondary coordination-sphere effects. PMID:18498155

Development of the focal plane system for the SEparator for CApture Reactions

NASA Astrophysics Data System (ADS)

Hood, A. A. D.; Blackmon, J. C.; Cottingham, R.; Deibel, C. M.; Good, E.; Joerres, K.; Laminack, A.; Garrity, A.; Secar Collaboration

2017-09-01

The SEparator for CApture Reactions (SECAR) is currently under construction for the National Superconducting Cyclotron Laboratory and future Facility for Rare Isotope Beams. SECAR is designed to conduct sensitive measurements of capture reactions critical to understanding stellar explosions. We have developed a versatile focal plane system that will differentiate reaction recoils from unreacted scattered beam particles in measurements covering a large range of energies and masses. The elements of the focal plane system include two metal-foil, micro-channel plate (MCP) detectors, a variety of diagnostics, and two alternative recoil stopping detectors. The MCP detectors will measure the time-of-flight (and therefore velocity) as well as the position of the recoils. Our primary heavy ion recoil detector is a gas ionization chamber that measures position, total energy and relative energy loss and provides good atomic number discrimination at energies greater than about 0.5 MeV/u. For some cases, this gas counter will be replaced by silicon strip detectors to provide superior energy resolution. We will describe the overall design and report on construction and testing of the detector systems. Supported by the U.S. Department of Energy, Office of Science, Office of Nuclear Physics, under Awards DE-SC0014384 and DE-FG02-96ER40978.

The orbital ground state of the azide-substrate complex of human heme oxygenase is an indicator of distal H-bonding: implications for the enzyme mechanism.

PubMed

Ogura, Hiroshi; Evans, John P; Peng, Dungeng; Satterlee, James D; Ortiz de Montellano, Paul R; La Mar, Gerd N

2009-04-14

The active site electronic structure of the azide complex of substrate-bound human heme oxygenase 1 (hHO) has been investigated by (1)H NMR spectroscopy to shed light on the orbital/spin ground state as an indicator of the unique distal pocket environment of the enzyme. Two-dimensional (1)H NMR assignments of the substrate and substrate-contact residue signals reveal a pattern of substrate methyl contact shifts that places the lone iron pi-spin in the d(xz) orbital, rather than the d(yz) orbital found in the cyanide complex. Comparison of iron spin relaxivity, magnetic anisotropy, and magnetic susceptibilities argues for a low-spin, (d(xy))(2)(d(yz),d(xz))(3), ground state in both azide and cyanide complexes. The switch from singly occupied d(yz) for the cyanide to d(xz) for the azide complex of hHO is shown to be consistent with the orbital hole determined by the azide pi-plane in the latter complex, which is approximately 90 degrees in-plane rotated from that of the imidazole pi-plane. The induction of the altered orbital ground state in the azide relative to the cyanide hHO complex, as well as the mean low-field bias of methyl hyperfine shifts and their paramagnetic relaxivity relative to those in globins, indicates that azide exerts a stronger ligand field in hHO than in the globins, or that the distal H-bonding to azide is weaker in hHO than in globins. The Asp140 --> Ala hHO mutant that abolishes activity retains the unusual WT azide complex spin/orbital ground state. The relevance of our findings for other HO complexes and the HO mechanism is discussed.

The orbital ground state of the azide-substrate complex of human heme oxygenase is an indicator of distal H-bonding: Implications for the enzyme mechanism‡

PubMed Central

Ogura, Hiroshi; Evans, John P.; Peng, Dungeng; Satterlee, James D.; de Montellano, Paul R. Ortiz; Mar, Gerd N. La

2009-01-01

The active site electronic structure of the azide complex of substrate-bound human heme oxygenase-1, (hHO) has been investigated by 1H NMR spectroscopy to shed light on the orbital/spin ground state as an indicator of the unique distal pocket environment of the enzyme. 2D 1H NMR assignments of the substrate and substrate-contact residue signals reveal a pattern of substrate methyl contact shifts, that places the lone iron π-spin in the dxz orbital, rather than the dyz orbital found in the cyanide complex. Comparison of iron spin relaxivity, magnetic anisotropy and magnetic susceptibilities argues for a low-spin, (dxy)2(dyz,dxz)3, ground state in both azide and cyanide complexes. The switch from singly-occupied dyz for the cyanide to dxz for the azide complex of hHO is shown to be consistent with the orbital hole determined by the azide π-plane in the latter complex, which is ∼90° in-plane rotated from that of the imidazole π-plane. The induction of the altered orbital ground state in the azide relative to the cyanide hHO complex, as well as the mean low-field bias of methyl hyperfine shifts and their paramagnetic relaxivity relative to those in globins, indicate that azide exerts a stronger ligand field in hHO than in the globins, or that the distal H-bonding to azide is weaker in hHO than in globins. The Asp140 → Ala hHO mutant that abolishes activity retains the unusual WT azide complex spin/orbital ground state. The relevance of our findings for other HO complexes and the HO mechanism is discussed. PMID:19243105

Energy density and energy flux in the focus of an optical vortex: reverse flux of light energy.

PubMed

Kotlyar, Victor V; Kovalev, Alexey A; Nalimov, Anton G

2018-06-15

Using the Richards-Wolf formulas for an arbitrary circularly polarized optical vortex with an integer topological charge m, we obtain explicit expressions for all components of the electric and magnetic field strength vectors near the focus, as well as expressions for the intensity (energy density) and for the energy flux (components of the Poynting vector) in the focal plane of an aplanatic optical system. For m=2, from the obtained expressions it follows that the energy flux near the optical axis propagates in the reversed direction, rotating along a spiral around the optical axis. On the optical axis itself, the reversed flux is maximal and decays rapidly with the distance from the axis. For m=3, in contrast, the reversed energy flux in the focal plane is minimal (zero) on the optical axis and increases (until the first ring of the light intensity) as a squared distance from the axis.

Mechanism and energetics of 〈c + a〉 dislocation cross-slip in hcp metals.

PubMed

Wu, Zhaoxuan; Curtin, W A

2016-10-04

Hexagonal close-packed (hcp) metals such as Mg, Ti, and Zr are lightweight and/or durable metals with critical structural applications in the automotive (Mg), aerospace (Ti), and nuclear (Zr) industries. The hcp structure, however, brings significant complications in the mechanisms of plastic deformation, strengthening, and ductility, and these complications pose significant challenges in advancing the science and engineering of these metals. In hcp metals, generalized plasticity requires the activation of slip on pyramidal planes, but the structure, motion, and cross-slip of the associated [Formula: see text] dislocations are not well established even though they determine ductility and influence strengthening. Here, atomistic simulations in Mg reveal the unusual mechanism of [Formula: see text] dislocation cross-slip between pyramidal I and II planes, which occurs by cross-slip of the individual partial dislocations. The energy barrier is controlled by a fundamental step/jog energy and the near-core energy difference between pyramidal [Formula: see text] dislocations. The near-core energy difference can be changed by nonglide stresses, leading to tension-compression asymmetry and even a switch in absolute stability from one glide plane to the other, both features observed experimentally in Mg, Ti, and their alloys. The unique cross-slip mechanism is governed by common features of the generalized stacking fault energy surfaces of hcp pyramidal planes and is thus expected to be generic to all hcp metals. An analytical model is developed to predict the cross-slip barrier as a function of the near-core energy difference and applied stresses and quantifies the controlling features of cross-slip and pyramidal I/II stability across the family of hcp metals.

Mechanism and energetics of 〈c + a〉 dislocation cross-slip in hcp metals

PubMed Central

Wu, Zhaoxuan; Curtin, W. A.

2016-01-01

Hexagonal close-packed (hcp) metals such as Mg, Ti, and Zr are lightweight and/or durable metals with critical structural applications in the automotive (Mg), aerospace (Ti), and nuclear (Zr) industries. The hcp structure, however, brings significant complications in the mechanisms of plastic deformation, strengthening, and ductility, and these complications pose significant challenges in advancing the science and engineering of these metals. In hcp metals, generalized plasticity requires the activation of slip on pyramidal planes, but the structure, motion, and cross-slip of the associated 〈c+a〉 dislocations are not well established even though they determine ductility and influence strengthening. Here, atomistic simulations in Mg reveal the unusual mechanism of 〈c+a〉 dislocation cross-slip between pyramidal I and II planes, which occurs by cross-slip of the individual partial dislocations. The energy barrier is controlled by a fundamental step/jog energy and the near-core energy difference between pyramidal 〈c+a〉 dislocations. The near-core energy difference can be changed by nonglide stresses, leading to tension–compression asymmetry and even a switch in absolute stability from one glide plane to the other, both features observed experimentally in Mg, Ti, and their alloys. The unique cross-slip mechanism is governed by common features of the generalized stacking fault energy surfaces of hcp pyramidal planes and is thus expected to be generic to all hcp metals. An analytical model is developed to predict the cross-slip barrier as a function of the near-core energy difference and applied stresses and quantifies the controlling features of cross-slip and pyramidal I/II stability across the family of hcp metals. PMID:27647908

A quantum mechanical analysis of the light-harvesting complex 2 (LH2) from purple photosynthetic bacteria: insights into the electrostatic effects of transmembrane helices.

PubMed

Pichierri, Fabio

2011-02-01

We perform a quantum mechanical study of the peptides that are part of the LH2 complex from Rhodopseudomonas acidophila, a non-sulfur purple bacteria that has the ability of producing chemical energy from photosynthesis. The electronic structure calculations indicate that the transmembrane helices of these peptides are characterized by dipole moments with a magnitude of about 150D. When the full nonamer assembly made of 18 peptides is considered, then a macrodipole of magnitude 806D is built up from the vector sum of each monomer dipole. The macrodipole is oriented normal to the membrane plane and with the positive tip toward the cytoplasm thereby indicating that the electronic charge of the protein scaffold is polarized toward the periplasm. The results obtained here suggest that the asymmetric charge distribution of the protein scaffold contributes an anisotropic electrostatic environment which differentiates the absorption properties of the bacteriochlorophyll pigments, B800 and B850, embedded in the LH2 complex. Copyright © 2010 Elsevier Ireland Ltd. All rights reserved.

Homebuilt single-molecule scanning confocal fluorescence microscope studies of single DNA/protein interactions.

PubMed

Zheng, Haocheng; Goldner, Lori S; Leuba, Sanford H

2007-03-01

Many technical improvements in fluorescence microscopy over the years have focused on decreasing background and increasing the signal to noise ratio (SNR). The scanning confocal fluorescence microscope (SCFM) represented a major improvement in these efforts. The SCFM acquires signal from a thin layer of a thick sample, rejecting light whose origin is not in the focal plane thereby dramatically decreasing the background signal. A second major innovation was the advent of high quantum-yield, low noise, single-photon counting detectors. The superior background rejection of SCFM combined with low-noise, high-yield detectors makes it possible to detect the fluorescence from single-dye molecules. By labeling a DNA molecule or a DNA/protein complex with a donor/acceptor dye pair, fluorescence resonance energy transfer (FRET) can be used to track conformational changes in the molecule/complex itself, on a single molecule/complex basis. In this methods paper, we describe the core concepts of SCFM in the context of a study that uses FRET to reveal conformational fluctuations in individual Holliday junction DNA molecules and nucleosomal particles. We also discuss data processing methods for SCFM.

Energy for the interface system of (Nb, Mo)C/γ-Fe

NASA Astrophysics Data System (ADS)

Zhou, Yanyuan; Wang, Zhenqiang; Zhao, Jiaying; Leng, Zhe; Niu, Zhongyi; Guo, Chunhuan; Zhang, Zhengyan; Yang, Zhigang; Yao, Chunfa; Jiang, Fengchun

2017-08-01

The interfacial energies of MC/γ-Fe and formation energies of MC carbides have been investigated using first-principles calculations based on density functional theory (DFT). Results show that the replacement of Nb by Mo in the NbC lattice is unfavorable with respect to the formation energy. However, it reduces the lattice parameter of MC and decreases the σ_{{chemical}} (interfacial chemical energy) of MC/γ-Fe, thus favoring the formation of complex (Nb, Mo)C carbide. The substitution of Nb by Mo at the interface of MC/γ-Fe system promotes the hybridizations of Mo-1NNFe and C-1NNFe (or 2NNFe) (the first or second nearest neighboring Fe atoms), which leads to a decrease in σ_{{chemical}}. The influence of bond energy is estimated using the discrete lattice plane/nearest neighbor broken bond (DLP/NNBB) model. It is found that the reduced σ_{{chemical}} is attributed to the much smaller value of e_{{{{Fe-C}}}} - e_{{{{Mo-C}}}} (the difference between Fe-C and Mo-C interactions) compared to e_{{{{Fe-C}}}} - e_{{{{Nb-C}}}} (the difference between Fe-C and Nb-C interactions). The results obtained from the analysis of the precipitates in Nb- and Nb-Mo-bearing steels are in a good agreement with the calculations.

Spacecraft Orbit Design in the Circular Restricted Three-Body Problem Using Higher-Dimensional Poincare Maps

DTIC Science & Technology

2013-12-01

the plane of the primary bodies. That is, motion is possible only in the x and y directions. For example, in the ...Earth-Moon planar CR3BP, the S/C path remains in the same plane as the Moon’s orbit about the Earth—more precisely, the orbit of both the Earth and...travels out of the plane of the massive primaries, in the z direction as well. Importantly, there is added complexity in the spatial

2008 Program of Study: Perspectives and Challenges in GFD (Geophysical Fluid Dynamics)

DTIC Science & Technology

2009-03-01

half of the complex k- plane , and Φ− is similarly well defined in the lower half of 338 PSfrag replacements Im k Re k−i +i Figure 2: Branch cuts in...domains ⊕ and , which include, respectively, the upper and lower half k- planes . The full Fourier transform of φ (and of h, d, etc.) is then well defined in...contour at infinity in the lower half k- plane ; the solution will only contain waves arising from poles located in the

Polarization Utilization in Radar Target Reconstruction: C-Wide (Multi-Frequency) Band Relationship of a Target’s Characteristic Operators with Its Unique Set of Natural Eigenfrequencies.

DTIC Science & Technology

1983-12-14

the left half of the s- plane . These are representation independent. We shall be interested in these poles only. These poles are the complex...on the Left Half Plane Asymptotic Behavior of the SEM Expansion of Surface Currents, Published in Special Issue on the Singularity Expansion Method...precisely, the polarization chart is an orthogonal projection of the Poincare Sphere on a plane , having polar coordinates p= cos (2-) and

Projecting non-diffracting waves with intermediate-plane holography.

PubMed

Mondal, Argha; Yevick, Aaron; Blackburn, Lauren C; Kanellakopoulos, Nikitas; Grier, David G

2018-02-19

We introduce intermediate-plane holography, which substantially improves the ability of holographic trapping systems to project propagation-invariant modes of light using phase-only diffractive optical elements. Translating the mode-forming hologram to an intermediate plane in the optical train can reduce the need to encode amplitude variations in the field, and therefore complements well-established techniques for encoding complex-valued transfer functions into phase-only holograms. Compared to standard holographic trapping implementations, intermediate-plane holograms greatly improve diffraction efficiency and mode purity of propagation-invariant modes, and so increase their useful non-diffracting range. We demonstrate this technique through experimental realizations of accelerating modes and long-range tractor beams.

Near infrared and extreme ultraviolet light pulses induced modifications of ultrathin Co films

NASA Astrophysics Data System (ADS)

Kisielewski, Jan; Sveklo, Iosif; Kurant, Zbigniew; Bartnik, Andrzej; Jakubowski, Marcin; Dynowska, ElŻbieta; Klinger, Dorota; Sobierajski, Ryszard; Wawro, Andrzej; Maziewski, Andrzej

2017-05-01

We report on comparative study of magnetic properties of Pt/Co/Pt trilayers after irradiation with different light sources. Ultrathin Pt/Co/Pt films were deposited by molecular beam epitaxy technique on sapphire (0001) substrates. Pt buffers were grown at room temperature (RT) and at 750°C (high temperature, HT). The samples were irradiated with a broad range of light energy densities (up to film ablation) using two different single pulse irradiation sources: (i) 40 fs laser with 800 nm wavelength and (ii) 3 ns laser-plasma source of extreme ultraviolet (EUV) with the most intense emission centered at 11 nm. The light pulse-driven irreversible structural and as a consequence, magnetic modifications were investigated using polar magneto-optical Kerr effect-based microscopy and atomic and magnetic force microscopies. The light pulse-induced transitions from the out-of-plane to in-plane magnetization state, and from in-plane to out-of-plane, were observed for both types of samples and irradiation methods. Diagrams of the magnetic states as a function of the Co layer thickness and energy density of the absorbed femtosecond pulses were constructed for the samples with both the RT and HT buffers. The energy density range responsible for the creation of the out-of-plane magnetization was wider for the HT than for RT buffer. This is correlated with the higher (for HT) crystalline quality and much smoother Pt/Co surface deduced from the X-ray diffraction studies. Submicrometer magnetic domains were observed in the irradiated region while approaching the out-of-plane magnetization state. Changes of Pt/Co/Pt structures are discussed for both types of light pulses.

Phase-field simulations of GaN growth by selective area epitaxy on complex mask geometries

DOE PAGES

Aagesen, Larry K.; Coltrin, Michael Elliott; Han, Jung; ...

2015-05-15

Three-dimensional phase-field simulations of GaN growth by selective area epitaxy were performed. Furthermore, this model includes a crystallographic-orientation-dependent deposition rate and arbitrarily complex mask geometries. The orientation-dependent deposition rate can be determined from experimental measurements of the relative growth rates of low-index crystallographic facets. Growth on various complex mask geometries was simulated on both c-plane and a-plane template layers. Agreement was observed between simulations and experiment, including complex phenomena occurring at the intersections between facets. The sources of the discrepancies between simulated and experimental morphologies were also investigated. We found that the model provides a route to optimize masks andmore » processing conditions during materials synthesis for solar cells, light-emitting diodes, and other electronic and opto-electronic applications.« less

Complexity-entropy causality plane: A useful approach for distinguishing songs

NASA Astrophysics Data System (ADS)

Ribeiro, Haroldo V.; Zunino, Luciano; Mendes, Renio S.; Lenzi, Ervin K.

2012-04-01

Nowadays we are often faced with huge databases resulting from the rapid growth of data storage technologies. This is particularly true when dealing with music databases. In this context, it is essential to have techniques and tools able to discriminate properties from these massive sets. In this work, we report on a statistical analysis of more than ten thousand songs aiming to obtain a complexity hierarchy. Our approach is based on the estimation of the permutation entropy combined with an intensive complexity measure, building up the complexity-entropy causality plane. The results obtained indicate that this representation space is very promising to discriminate songs as well as to allow a relative quantitative comparison among songs. Additionally, we believe that the here-reported method may be applied in practical situations since it is simple, robust and has a fast numerical implementation.

Fluorometric and theoretical studies on inclusion complexes of β-cyclodextrin and D-, L-phenylalanine

NASA Astrophysics Data System (ADS)

Aree, Thammarat; Arunchai, Rungthiwa; Koonrugsa, Narongsak; Intasiri, Amarawan

2012-10-01

Inclusion complexes of β-cyclodextrin (β-CD) with L- and D-phenylalanine (Phe) have been characterized in solution by fluorometry and in gas phase by semiempirical PM3 calculations. The unimolar stoichiometric ratio of both β-CD-L-Phe and β-CD-D-Phe complexes and the stability constants (K) were deduced from fluorometric titrations. The β-CD-L-Phe complex is more stable than the β-CD-D-Phe complex as indicated by the larger K values, 21.1 vs. 6.86 M-1. This is consistent with the stabilization energies (ΔEstb) and inclusion geometries obtained from PM3 calculations. The β-CD-L-Phe complex with L-Phe residing in the central β-CD cavity and pointing its COOH group downwards to the O6 end has ΔEstb = -62.7 kJ mol-1, whereas the β-CD-D-Phe complex with D-Phe placing at 3 Å beneath the β-CD O4-plane and pointing its COOH group upwards to the O2/O3 end has ΔEstb = -53.3 kJ mol-1. The unison of host-guest intermolecular hydrogen bonds, hydrophobic interactions and molecular deformations plays an essential role in forming and stabilizing the inclusion complexes. Our results show that the β-CD-L-Phe and β-CD-D-Phe inclusion complexes are relatively stable and differentiable, suggesting the applications of CDs in foods and drugs.

Strain effects on the electronic properties in δ -doped oxide superlattices

DOE PAGES

You, Jeong Ho; Lee, Jun Hee; Okamoto, Satoshi; ...

2015-02-07

We investigated strain effects on the electronic properties of (LaTiO 3) 1/(SrTiO 3)N superlattices using density functional theory. Under biaxial in-plane strain within the range of -5% ≤ ε// ≤ 5%, the d xy orbital electrons are highly localized at the interfaces whereas the d yz and d xz orbital electrons are more distributed in the SrTiO 3 (STO) spacer layers. For STO thickness N ≥ 3 unit cells (u.c.), the d xy orbital electrons form two-dimensional (2D) electron gases (2DEGs). The quantized energy levels of the 2DEG are insensitive to the STO spacer thickness, but are strongly dependent onmore » the applied biaxial in-plane strain. As the in-plane strain changes from compressive to tensile, the quantized energy levels of the dxy orbitals decrease thereby creating more states with 2D character. In contrast to the d xy orbital, the d yz and dxz orbitals always have three-dimensional (3D) transport characteristics and their energy levels increase as the strain changes from compressive to tensile. In conclusion, since the charge densities in the d xy orbital and the d yz and d xz orbitals respond to biaxial in-plane strain in an opposite way, the transport dimensionality of the majority carriers can be controlled between 2D and 3D by applying biaxial in-plane strain.« less

Complex plane integration in the modelling of electromagnetic fields in layered media: part 1. Application to a very large loop

NASA Astrophysics Data System (ADS)

Silva, Valdelírio da Silva e.; Régis, Cícero; Howard, Allen Q., Jr.

2014-02-01

This paper analyses the details of a procedure for the numerical integration of Hankel transforms in the calculation of the electromagnetic fields generated by a large horizontal loop over a 1D earth. The method performs the integration by deforming the integration path into the complex plane and applying Cauchy's theorem on a modified version of the integrand. The modification is the replacement of the Bessel functions J0 and J1 by the Hankel functions H_0^{(1)} and H_1^{(1)} respectively. The integration in the complex plane takes advantage of the exponentially decaying behaviour of the Hankel functions, allowing calculation on very small segments, instead of the infinite line of the original improper integrals. A crucial point in this problem is the location of the poles. The companion paper shows two methods to estimate the pole locations. We have used this method to calculate the fields of very large loops. Our results show that this method allows the estimation of the integrals with fewer evaluations of the integrand functions than other methods.

Innovative compact focal plane array for wide field vis and ir orbiting telescopes

NASA Astrophysics Data System (ADS)

Hugot, Emmanuel; Vives, Sébastien; Ferrari, Marc; Gaeremynck, Yann; Jahn, Wilfried

2017-11-01

The future generation of high angular resolution space telescopes will require breakthrough technologies to combine large diameters and large focal plane arrays with compactness and lightweight mirrors and structures. Considering the allocated volume medium-size launchers, short focal lengths are mandatory, implying complex optical relays to obtain diffraction limited images on large focal planes. In this paper we present preliminary studies to obtain compact focal plane arrays (FPA) for earth observations on low earth orbits at high angular resolution. Based on the principle of image slicers, we present an optical concept to arrange a 1D FPA into a 2D FPA, allowing the use of 2D detector matrices. This solution is particularly attractive for IR imaging requiring a cryostat, which volume could be considerably reduced as well as the relay optics complexity. Enabling the use of 2D matrices for such an application offers new possibilities. Recent developments on curved FPA allows optimization without concerns on the field curvature. This innovative approach also reduces the complexity of the telescope optical combination, specifically for fast telescopes. This paper will describe the concept and optical design of an F/5 - 1.5m telescope equipped with such a FPA, the performances and the impact on the system with a comparison with an equivalent 1.5m wide field Korsch telescope.

Design of a dual-band radiation system for a complex magnetically insulated line oscillator

NASA Astrophysics Data System (ADS)

Yu, Yuanqiang; Wang, Xiaoyu; Fan, Yuwei; Li, Ankun; Li, Sirui

2018-05-01

In this paper, a dual-band radiation system for a complex magnetically insulated line oscillator (MILO) is designed and investigated numerically. The radiation system comprises a coaxial plate-inserted mode converter, a power combiner and a conical horn antenna. The mode converter converts the coaxial TEM mode microwaves (1.775 GHz and 3.175 GHz) which are generated by the complex MILO into the coaxial TE11 mode microwaves, and then the coaxial TE11 mode microwaves are combined by the power combiner in a circular waveguide. Lastly, the microwaves are radiated by a conical horn antenna into the air. The gains of the dual-band radiation system are calculated to be 17.8 dB at 1.775 GHz and 18.9 dB at 3.175 GHz. The 3 dB beam widths are 20.5° in E-plane, 26.4° in H-plane at 1.775 GHz and 20.8° in E-plane, 15.1° in H-plane at 3.175 GHz. The power transmission efficiencies of the dual-band radiation system are 98.5% at 1.775 GHz and 95.7% at 3.175 GHz respectively. The power handling capacities of the dual-band radiation system are 4.2 GW at 1.775 GHz and 4.7 GW at 3.175 GHz, respectively.

Fast-response free-running frequency-stabilized dc-to-dc converter employing a state plane-trajectory control law

NASA Technical Reports Server (NTRS)

Huffman, S. D.; Burns, W. W., III; Wilson, T. G.; Owen, H. A., Jr.

1976-01-01

Implementations of a state-plane-trajectory control law for energy storage dc-to-dc converters are presented. Performance characteristics of experimental voltage step-up converter systems employing these implementations are reported and compared to theoretical predictions.

Silicon supported lipid-DNA thin film structures at varying temperature studied by energy dispersive X-ray diffraction and neutron reflectivity.

PubMed

Domenici, F; Castellano, C; Dell'Unto, F; Albinati, A; Congiu, A

2011-11-01

Non-viral gene transfection by means of lipid-based nanosystems, such as solid supported lipid assemblies, is often limited due to their lack of stability and the consequent loss of efficiency. Therefore not only a detailed thermo-lyotropic study of these DNA-lipid complexes is necessary to understand their interaction mechanisms, but it can also be considered as a first step in conceiving and developing new transfection biosystems. The aim of our study is a structural characterization of 1,2-dioleoyl-sn-glycero-3-phosphatidylcholine (DOPC)-dimethyl-dioctadecyl-ammonium bromide (DDAB)-DNA complex at varying temperature using the energy dispersive X-ray diffraction (EDXD) and neutron reflectivity (NR) techniques. We have shown the formation of a novel thermo-lyotropic structure of DOPC/DDAB thin film self-organized in multi-lamellar planes on (100)-oriented silicon support by spin coating, thus enlightening its ability to include DNA strands. Our NR measurements indicate that the DOPC/DDAB/DNA complex forms temperature-dependent structures. At 65°C and relative humidity of 100% DNA fragments are buried between single lamellar leaflets constituting the hydrocarbon core of the lipid bilayers. This finding supports the consistency of the hydrophobic interaction model, which implies that the coupling between lipid tails and hypo-hydrated DNA single strands could be the driving force of DNA-lipid complexation. Upon cooling to 25°C, EDXD analysis points out that full-hydrated DOPC-DDAB-DNA can switch in a different metastable complex supposed to be driven by lipid heads-DNA electrostatic interaction. Thermotropic response analysis also clarifies that DOPC has a pivotal role in promoting the formation of our observed thermophylic silicon supported lipids-DNA assembly. Copyright © 2011 Elsevier B.V. All rights reserved.

Technology Solutions Case Study: Guidance on Taped Insulating Sheathing Drainage Planes

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

The energy efficiency-based financial benefits of adding exterior insulation are well accepted by the building industry, and using exterior insulation as the drainage plane is the next logical step. This case study focuses on the field implementation of taped board insulation as the drainage plane in both new and retrofit residential applications, and provides information and recommendations for insulation contractors, general contractors, builders, remodelers, mechanical contractors, and homeowners. The order of work completed during home construction and retrofit improvements is important. Health and safety issues must be addressed first and are more important than durability issues, and durability issues aremore » more important than saving energy. Three significant items are required to make taped insulating sheathing a simple, long term, and durable drainage plane: first, horizontal joints should be limited or eliminated wherever possible; where a horizontal joint exists, use superior materials; and, frequent installation inspection and regular trade training are required to maintain proper installation.« less

Effect of vacancy defects on generalized stacking fault energy of fcc metals.

PubMed

Asadi, Ebrahim; Zaeem, Mohsen Asle; Moitra, Amitava; Tschopp, Mark A

2014-03-19

Molecular dynamics (MD) and density functional theory (DFT) studies were performed to investigate the influence of vacancy defects on generalized stacking fault (GSF) energy of fcc metals. MEAM and EAM potentials were used for MD simulations, and DFT calculations were performed to test the accuracy of different common parameter sets for MEAM and EAM potentials in predicting GSF with different fractions of vacancy defects. Vacancy defects were placed at the stacking fault plane or at nearby atomic layers. The effect of vacancy defects at the stacking fault plane and the plane directly underneath of it was dominant compared to the effect of vacancies at other adjacent planes. The effects of vacancy fraction, the distance between vacancies, and lateral relaxation of atoms on the GSF curves with vacancy defects were investigated. A very similar variation of normalized SFEs with respect to vacancy fractions were observed for Ni and Cu. MEAM potentials qualitatively captured the effect of vacancies on GSF.

Dependence of Crystallographic Orientation on Pitting Corrosion Behavior of Ni-Fe-Cr Alloy 028

NASA Astrophysics Data System (ADS)

Zhang, LiNa; Szpunar, Jerzy A.; Dong, JianXin; Ojo, Olanrewaju A.; Wang, Xu

2018-06-01

The influence of crystallographic orientation on the pitting corrosion behavior of Ni-Fe-Cr alloy 028 was studied using a combination of X-ray diffraction (XRD), electron backscatter diffraction (EBSD), potentiodynamic polarization technique, and atomic force microscopy (AFM). The results show that there is anisotropy of pitting corrosion that strongly depends on crystallographic orientation of the surface plane. The distribution of pit density in a standard stereographic triangle indicates that the crystallographic planes close to {100} are more prone to pitting corrosion compared to planes {110} and {111}. The surface energy calculation of (001) and (111) shows that the plane with a high atomic packing density has a low surface energy with concomitant strong resistance to pitting corrosion. A correlation function between crystallographic orientation and pitting corrosion susceptibility suggests a method that not only predicts the pitting resistance of known textured materials, but also could help to improve corrosion resistance by controlling material texture.

Tunneling interstitial impurity in iron-chalcogenide-based superconductors

NASA Astrophysics Data System (ADS)

Huang, Huaixiang; Zhang, Degang; Gao, Yi; Ren, Wei; Ting, C. S.

2016-02-01

A pronounced local in-gap zero-energy bound state (ZBS) has been observed by recent scanning tunneling microscopy experiments on the interstitial Fe impurity (IFI) and its nearest-neighboring sites in an FeTe0.5Se0.5 superconducting (SC) compound. By introducing an impurity mechanism, the so-called tunneling impurity, and based on the Bogoliubov-de Gennes equations, we investigate the low-lying energy states of the IFI and the underlying Fe plane. The calculations are performed in the presence as well as in the absence of a magnetic field. We find the IFI-induced ZBS does not shift or split in a magnetic field as long as the tunneling parameter between the IFI and the Fe plane is sufficiently small and the Fe plane is deep in the SC state. Our results are in good agreement with experiments. We also show that in the underdoped cases, modulation of the spin density wave or charge density wave will suppress the intensity of the ZBS on the Fe plane in a vortex state.

Importance of projectile-target interactions in the triple differential cross sections for Low energy (e,2e) ionization of aligned H2

NASA Astrophysics Data System (ADS)

Ali, Esam; Madison, Don; Ren, X.; Dorn, A.; Ning, Chuangang

2014-10-01

Experimental and theoretical Triple Differential Cross Sections (TDCS) are presented for electron impact ionization-excitation of the 2 sσg state of H2 in the perpendicular plane. The excited 2 sσg state immediately dissociates and the alignment of the molecule is determined by detecting one of the fragments. Results are presented for three different alignments in the xy-plane (scattering plane is xz)-alignment along y-axis, x-axis, and 45° between the x- and y-axes for incident electron energies of 4, 10, and 25 eV and different scattered electron angles of 20° and 30° in the perpendicular plane. Theoretical M4DW (molecular 4-body distorted wave) results are compared to experimental data, and overall we found reasonably good agreement between experiment and theory. The Results show that (e,2e) cross sections for excitation-ionization depend strongly on the orientation of the H2 molecule.

Acoustic Mechanical Feed-Throughs for Producing Work Across a Structure

NASA Technical Reports Server (NTRS)

Sherril, Stewart (Inventor); Bar-Cohen, Yoseph (Inventor); Bao, Xiaoqi (Inventor)

2017-01-01

An apparatus that passes vibrational energy across a mechanical structure lacking a perforation. The disclosed apparatus and method provide the ability to transfer work (rotary or linear motion) across pressure or thermal barriers or in a sterile environment without generating contaminants; the presence of reflectors in the solid barrier to enhance the efficiency of the energy/power transmission, and the ability to produce a bi-directional driving mechanism using a plurality of different mode resonances, such as a fundamental frequency resonance and a higher frequency resonance. In some instances, a plane within the mechanical structure lacking a perforation is a nodal plane of the vibrational energy field.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aagesen, Larry K.; Coltrin, Michael Elliott; Han, Jung

Three-dimensional phase-field simulations of GaN growth by selective area epitaxy were performed. Furthermore, this model includes a crystallographic-orientation-dependent deposition rate and arbitrarily complex mask geometries. The orientation-dependent deposition rate can be determined from experimental measurements of the relative growth rates of low-index crystallographic facets. Growth on various complex mask geometries was simulated on both c-plane and a-plane template layers. Agreement was observed between simulations and experiment, including complex phenomena occurring at the intersections between facets. The sources of the discrepancies between simulated and experimental morphologies were also investigated. We found that the model provides a route to optimize masks andmore » processing conditions during materials synthesis for solar cells, light-emitting diodes, and other electronic and opto-electronic applications.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aagesen, Larry K.; Thornton, Katsuyo, E-mail: kthorn@umich.edu; Coltrin, Michael E.

Three-dimensional phase-field simulations of GaN growth by selective area epitaxy were performed. The model includes a crystallographic-orientation-dependent deposition rate and arbitrarily complex mask geometries. The orientation-dependent deposition rate can be determined from experimental measurements of the relative growth rates of low-index crystallographic facets. Growth on various complex mask geometries was simulated on both c-plane and a-plane template layers. Agreement was observed between simulations and experiment, including complex phenomena occurring at the intersections between facets. The sources of the discrepancies between simulated and experimental morphologies were also investigated. The model provides a route to optimize masks and processing conditions during materialsmore » synthesis for solar cells, light-emitting diodes, and other electronic and opto-electronic applications.« less

Mechanical energy assessment of adult with Down syndrome during walking with obstacle avoidance.

PubMed

Salami, Firooz; Vimercati, Sara Laura; Rigoldi, Chiara; Taebi, Amirtaha; Albertini, Giorgio; Galli, Manuela

2014-08-01

The aim of this study is analyzing the differences between plane walking and stepping over an obstacle for two groups of healthy people and people with Down syndrome and then, evaluating the movement efficiency between the groups by comprising of their mechanical energy exchanges. 39 adults including two groups of 21 people with Down syndrome (age: 21.6 ± 7 years) and 18 healthy people (age: 25.1 ± 2.4 years) participated in this research. The test has been done in two conditions, first in plane walking and second in walking with an obstacle (10% of the subject's height). The gait data were acquired using quantitative movement analysis, composed of an optoelectronic system (Elite2002, BTS) with eight infrared cameras. Mechanical energy exchanges are computed by dedicated software and finally the data including spatiotemporal parameters, mechanical energy parameters and energy recovery of gait cycle are analyzed by statistical software to find significant differences. Regards to spatiotemporal parameters velocity and step length are lower in people with Down syndrome. Mechanical energy parameters particularly energy recovery does not change from healthy people to people with Down syndrome. However, there are some differences in inter-group through plane walking to obstacle avoidance and it means people with Down syndrome probably use their residual abilities in the most efficient way to achieve the main goal of an efficient energy recovery. Copyright © 2014 Elsevier Ltd. All rights reserved.

A Top-Down Strategy toward SnSb In-Plane Nanoconfined 3D N-Doped Porous Graphene Composite Microspheres for High Performance Na-Ion Battery Anode.

PubMed

Qin, Jian; Wang, Tianshuai; Liu, Dongye; Liu, Enzuo; Zhao, Naiqin; Shi, Chunsheng; He, Fang; Ma, Liying; He, Chunnian

2018-03-01

Engineering of 3D graphene/metal composites with ultrasmall sized metal and robust metal-graphene interfacial interaction for energy storage application is still a challenge and rarely reported. In this work, a facile top-down strategy is developed for the preparation of SnSb-in-plane nanoconfined 3D N-doped porous graphene networks for sodium ion battery anodes, which are composed of several tens of interconnected empty N-graphene boxes in-plane firmly embedded with ultrasmall SnSb nanocrystals. The all-around encapsulation (plane-to-plane contact) architecture that provides a large interface between N-graphene and SnSb nanocrystal not only effectively enhances the electron conductivity and structural integrity of the overall electrode, but also offers excess interfacial sodium storage, thus leading to much enhanced high-rate sodium storage capacity and stability, which has been proven by both experimental results and first-principles simulations. Moreover, this top-down strategy can enable new paths to the low-cost and high-yield synthesis of 3D graphene/metal composites for applications in energy-related fields and beyond. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Computational insight into the capacitive performance of graphene edge planes

DOE PAGES

Zhan, Cheng; Zhang, Yu; Cummings, Peter T.; ...

2017-02-01

Recent experiments have shown that electric double-layer capacitors utilizing electrodes consisting of graphene edge plane exhibit higher capacitance than graphene basal plane. However, theoretical understanding of this capacitance enhancement is still limited. Here we applied a self-consistent joint density functional theory calculation on the electrode/electrolyte interface and found that the capacitance of graphene edge plane depends on the edge type: zigzag edge has higher capacitance than armchair edge due to the difference in their electronic structures. We further examined the quantum, dielectric, and electric double-layer (EDL) contributions to the total capacitance of the edge-plane electrodes. Classical molecular dynamics simulation foundmore » that the edge planes have higher EDL capacitance than the basal plane due to better adsorption of counter-ions and higher solvent accessible surface area. Finally, our work therefore has elucidated the capacitive energy storage in graphene edge planes that take into account both the electrode's electronic structure and the EDL structure.« less

Modeling State-Space Aeroelastic Systems Using a Simple Matrix Polynomial Approach for the Unsteady Aerodynamics

NASA Technical Reports Server (NTRS)

Pototzky, Anthony S.

2008-01-01

A simple matrix polynomial approach is introduced for approximating unsteady aerodynamics in the s-plane and ultimately, after combining matrix polynomial coefficients with matrices defining the structure, a matrix polynomial of the flutter equations of motion (EOM) is formed. A technique of recasting the matrix-polynomial form of the flutter EOM into a first order form is also presented that can be used to determine the eigenvalues near the origin and everywhere on the complex plane. An aeroservoelastic (ASE) EOM have been generalized to include the gust terms on the right-hand side. The reasons for developing the new matrix polynomial approach are also presented, which are the following: first, the "workhorse" methods such as the NASTRAN flutter analysis lack the capability to consistently find roots near the origin, along the real axis or accurately find roots farther away from the imaginary axis of the complex plane; and, second, the existing s-plane methods, such as the Roger s s-plane approximation method as implemented in ISAC, do not always give suitable fits of some tabular data of the unsteady aerodynamics. A method available in MATLAB is introduced that will accurately fit generalized aerodynamic force (GAF) coefficients in a tabular data form into the coefficients of a matrix polynomial form. The root-locus results from the NASTRAN pknl flutter analysis, the ISAC-Roger's s-plane method and the present matrix polynomial method are presented and compared for accuracy and for the number and locations of roots.

Casimir effect within D=3+1 Maxwell-Chern-Simons electrodynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kharlanov, O. G.; Zhukovsky, V. Ch.

2010-01-15

Within the framework of the (3+1)-dimensional Lorentz-violating extended electrodynamics including the CPT-odd Chern-Simons term, we consider the electromagnetic field between two parallel perfectly conducting plates. We find the one-particle eigenstates of such a field, as well as the implicit expression for the photon energy spectrum. We also show that the tachyon-induced vacuum instability is negligible when the separation between the plates is sufficiently small though finite. In order to find the leading Chern-Simons correction to the vacuum energy, we renormalize and evaluate the sum over all one-particle eigenstate energies using the two different methods, the zeta function technique and themore » transformation of the discrete sum into a complex plane integral via the residue theorem. The resulting correction to the Casimir force, which is attractive and quadratic in the Chern-Simons term, disagrees with the one obtained in [M. Frank and I. Turan, Phys. Rev. D 74, 033016 (2006)], using the misinterpreted equations of motion. Compared with experimental data, our result places a constraint on the absolute value of the Chern-Simons term.« less

Wave energy trapping and localization in a plate with a delamination

NASA Astrophysics Data System (ADS)

Glushkov, Evgeny; Glushkova, Natalia; Golub, Mikhail V.; Moll, Jochen; Fritzen, Claus-Peter

2012-12-01

The research aims at an experimental approval of the trapping mode effect theoretically predicted for an elastic plate-like structure with a horizontal crack. The effect is featured by a sharp capture of incident wave energy at certain resonance frequencies with its localization between the crack and plate surfaces in the form of energy vortices yielding long-enduring standing waves. The trapping modes are eigensolutions of the related diffraction problem associated with nearly real complex points of its discrete frequency spectrum. To detect such resonance motion, a laser vibrometer based system has been employed for the acquisition and appropriate visualization of piezoelectrically actuated out-of-plane surface motion of a two-layer aluminum plate with an artificial strip-like delamination. The measurements at resonance and off-resonance frequencies have revealed a time-harmonic oscillation of good quality above the delamination in the resonance case. It lasts for a long time after the scattered waves have left that area. The measured frequency of the trapped standing-wave oscillation is in a good agreement with that predicted using the integral equation based mathematical model.

Sphere-Shaped Hierarchical Cathode with Enhanced Growth of Nanocrystal Planes for High-Rate and Cycling-Stable Li-Ion Batteries

DOE PAGES

Zhang, Linjing; Li, Ning; Wu, Borong; ...

2015-01-14

High-energy and high-power Li-ion batteries have been intensively pursued as power sources in electronic vehicles and renewable energy storage systems in smart grids. With this purpose, developing high-performance cathode materials is urgently needed. Here we report an easy and versatile strategy to fabricate high-rate and cycling-stable hierarchical sphered cathode Li 1.2Ni 0.13Mn 0.54Co 0.13O 2, by using an ionic interfusion method. The sphere-shaped hierarchical cathode is assembled with primary nanoplates with enhanced growth of nanocrystal planes in favor of Li+ intercalation/deintercalation, such as (010), (100), and (110) planes. This material with such unique structural features exhibits outstanding rate capability, cyclability,more » and high discharge capacities, achieving around 70% (175 mAh g–1) of the capacity at 0.1 C rate within about 2.1 min of ultrafast charging. Such cathode is feasible to construct high-energy and high-power Li-ion batteries.« less

Anisotropic itinerant magnetism and spin fluctuations in BaFe2As2 : A neutron scattering study

NASA Astrophysics Data System (ADS)

Matan, K.; Morinaga, R.; Iida, K.; Sato, T. J.

2009-02-01

Neutron scattering measurements were performed to investigate magnetic excitations in a single-crystal sample of the ternary iron arsenide BaFe2As2 , a parent compound of a recently discovered family of Fe-based superconductors. In the ordered state, we observe low energy spin-wave excitations with a gap energy Δ=9.8(4)meV . The in-plane spin-wave velocity vab and out-of-plane spin-wave velocity vc measured at 12 meV are 280(150) and 57(7)meVÅ , respectively. At high energy, we observe anisotropic scattering centered at the antiferromagnetic wave vectors. This scattering indicates two-dimensional spin dynamics, which possibly exist inside the Stoner continuum. At TN=136(1)K , the gap closes and quasielastic scattering is observed above TN , indicative of short-range spin fluctuations. In the paramagnetic state, the scattering intensity along the L direction becomes “rodlike,” characteristic of uncorrelated out-of-plane spins, attesting to the two-dimensionality of the system.

Sphere-shaped hierarchical cathode with enhanced growth of nanocrystal planes for high-rate and cycling-stable li-ion batteries.

PubMed

Zhang, Linjing; Li, Ning; Wu, Borong; Xu, Hongliang; Wang, Lei; Yang, Xiao-Qing; Wu, Feng

2015-01-14

High-energy and high-power Li-ion batteries have been intensively pursued as power sources in electronic vehicles and renewable energy storage systems in smart grids. With this purpose, developing high-performance cathode materials is urgently needed. Here we report an easy and versatile strategy to fabricate high-rate and cycling-stable hierarchical sphered cathode Li(1.2)Ni(0.13)Mn(0.54)Co(0.13)O2, by using an ionic interfusion method. The sphere-shaped hierarchical cathode is assembled with primary nanoplates with enhanced growth of nanocrystal planes in favor of Li(+) intercalation/deintercalation, such as (010), (100), and (110) planes. This material with such unique structural features exhibits outstanding rate capability, cyclability, and high discharge capacities, achieving around 70% (175 mAh g(-1)) of the capacity at 0.1 C rate within about 2.1 min of ultrafast charging. Such cathode is feasible to construct high-energy and high-power Li-ion batteries.

A Dzyaloshinskii-Moriya Anisotropy in nanomagnets with in-plane magnetization

NASA Astrophysics Data System (ADS)

Cubukcu, M.; Sampaio, J.; Khvalkovskiy, A. V.; Apalkov, D.; Cros, V.; Reyren, N.

The Dzyaloshinskii-Moriya interaction (DMI) is known to be a direct manifestation of spin-orbit coupling in systems with broken inversion symmetry. We present a new anisotropy for in-plane-magnetized nanomagnets which is due to the interfacial DMI. This new anisotropy depends on the shape of the magnet, and is perpendicular to the demagnetization shape anisotropy. The DMI anisotropy term that we introduce here results from the DMI energy reduction due to an out-of-plane tilt of the spins at the edges that are oriented perpendicular to the magnetization. For large enough DMI, the reduction of the DMI and anisotropy energies takes over the demagnetization energy cost when magnetization lies along the minor axis of a structure. Our experimental, numerical and analytical results demonstrate this prediction in magnets of elongated shape for small enough volume (and thus quasi-uniform magnetization). Our results also provide the first experimental evidence of the interfacial DMI-induced tilt of the spins at the borders. This work was supported by the Samsung Global MRAM Innovation Program.

High-frequency seismic energy radiation from the 2003 Miyagi-Oki, JAPAN, earthquake (M7.0) as revealed from an envelope inversion analysis

NASA Astrophysics Data System (ADS)

Nakahara, H.

2003-12-01

The 2003 Miyagi-Oki earthquake (M 7.0) took place on May 26, 2003 in the subducting Pacific plate beneath northeastern Japan. The focal depth is around 70km. The focal mechanism is reverse type on a fault plane dipping to the west with a high angle. There was no fatality, fortunately. However, this earthquake caused more than 100 injures, 2000 collapsed houses, and so on. To the south of this focal area by about 50km, an interplate earthquake of M7.5, the Miyagi-Ken-Oki earthquake, is expected to occur in the near future. So the relation between this earthquake and the expected Miyagi-Ken-Oki earthquake attracts public attention. Seismic-energy distribution on earthquake fault planes estimated by envelope inversion analyses can contribute to better understanding of the earthquake source process. For moderate to large earthquakes, seismic energy in frequencies higher than 1 Hz is sometimes much larger than a level expected from the omega-squared model with source parameters estimated by lower-frequency analyses. Therefore, an accurate estimation of seismic energy in such high frequencies has significant importance on estimation of dynamic source parameters such as the seismic energy or the apparent stress. In this study, we execute an envelope inversion analysis based on the method by Nakahara et al. (1998) and clarify the spatial distribution of high-frequency seismic energy radiation on the fault plane of this earthquake. We use three-component sum of mean squared velocity seismograms multiplied by a density of earth medium, which is called envelopes here, for the envelope inversion analysis. Four frequency bands of 1-2, 2-4, 4-8, and 8-16 Hz are adopted. We use envelopes in the time window from the onset of S waves to the lapse time of 51.2 sec. Green functions of envelopes representing the energy propagation process through a scattering medium are calculated based on the radiative transfer theory, which are characterized by parameters of scattering attenuation and intrinsic absorption. We use the values obtained for the northeastern Japan (Sakurai, 1995). We assume the fault plane as follows: strike=193,a, dip=69,a, rake=87,a, length=30km, width=25km with referrence to a waveform inversion analysis in low-frequencies (e.g. Yagi, 2003). We divide this fault plane into 25 subfaults, each of which is a 5km x 5km square. Rupture velocity is assumed to be constant. Seismic energy is radiated from a point source as soon as the rupture front passes the center of each subfault. Time function of energy radiation is assumed as a box-car function. The amount of seismic energy from all the subfaults and site amplification factors for all the stations are estimated by the envelope inversion method. Rupture velocity and the duration time of a box-car function should be estimated by a grid search. Theoretical envelopes calculated with best-fit parameters generally fit to observed ones. The rupture velocity and duration time were estimated as 3.8 km/s and 1.6 sec, respectively. The high-frequency seismic energy was found to be radiated mainly from two spots on the fault plane: The first one is around the initial rupture point and the second is the northern part of the fault plane. These two spots correspond to observed two peaks on envelopes. Amount of seismic energy increases with increasing frequency in the 1-16Hz band, which contradicts an expectation from the omega-squared model. Therefore, stronger radiation of higher-frequency seismic energy is a prominent character of this earthquake. Acknowledgements: We used strong-motion seismograms recorded by the K-NET and KiK-net of NIED, JAPAN.

A six-coordinate ytterbium complex exhibiting easy-plane anisotropy and field-induced single-ion magnet behavior.

PubMed

Liu, Jun-Liang; Yuan, Kang; Leng, Ji-Dong; Ungur, Liviu; Wernsdorfer, Wolfgang; Guo, Fu-Sheng; Chibotaru, Liviu F; Tong, Ming-Liang

2012-08-06

The field-induced blockage of magnetization behavior was first observed in an Yb(III)-based molecule with a trigonally distorted octahedral coordination environment. Ab initio calculations and micro-SQUID measurements were performed to demonstrate the exhibition of easy-plane anisotropy, suggesting the investigated complex is the first pure lanthanide field-induced single-ion magnet (field-induced SIM) of this type. Furthermore, we found the relaxation time obeys a power law instead of an exponential law, indicating that the relaxation process should be involved a direct process rather than an Orbach process.

Two bladders and two vaginas in two planes: one urogenital sinus.

PubMed

Shaw, Matthew B K; Cain, Mark P; Rink, Richard C

2003-07-01

We report 2 cases of persistent urogenital sinus (UGS) with duplication of the bladder and vagina in different planes. Cystoscopy and vaginoscopy were used to diagnose persistent UGS with bladder and vaginal duplication in 2 infants with recurrent urinary tract infection. Surgical repair was done by way of a midline abdominal and perineal approach using tubularized UGS to reconstruct the urethra. Persistent UGS represents a major anomaly; these patients had the added complexity of duplication of the bladder and vagina. In these complex patients, the true anatomy may only become apparent during the surgical reconstruction, necessitating a flexible, individual approach.

Padé approximations for Painlevé I and II transcendents

NASA Astrophysics Data System (ADS)

Novokshenov, V. Yu.

2009-06-01

We use a version of the Fair-Luke algorithm to find the Padé approximate solutions of the Painlevé I and II equations. We find the distributions of poles for the well-known Ablowitz-Segur and Hastings-McLeod solutions of the Painlevé II equation. We show that the Boutroux tritronquée solution of the Painleé I equation has poles only in the critical sector of the complex plane. The algorithm allows checking other analytic properties of the Painlevé transcendents, such as the asymptotic behavior at infinity in the complex plane.

METHOD AND MEANS FOR RECOGNIZING COMPLEX PATTERNS

DOEpatents

Hough, P.V.C.

1962-12-18

This patent relates to a method and means for recognizing a complex pattern in a picture. The picture is divided into framelets, each framelet being sized so that any segment of the complex pattern therewithin is essentially a straight line. Each framelet is scanned to produce an electrical pulse for each point scanned on the segment therewithin. Each of the electrical pulses of each segment is then transformed into a separate strnight line to form a plane transform in a pictorial display. Each line in the plane transform of a segment is positioned laterally so that a point on the line midway between the top and the bottom of the pictorial display occurs at a distance from the left edge of the pictorial display equal to the distance of the generating point in the segment from the left edge of the framelet. Each line in the plane transform of a segment is inclined in the pictorial display at an angle to the vertical whose tangent is proportional to the vertical displacement of the generating point in the segment from the center of the framelet. The coordinate position of the point of intersection of the lines in the pictorial display for each segment is determined and recorded. The sum total of said recorded coordinate positions being representative of the complex pattern. (AEC)

Communication: A new ab initio potential energy surface for HCl-H2O, diffusion Monte Carlo calculations of D0 and a delocalized zero-point wavefunction.

PubMed

Mancini, John S; Bowman, Joel M

2013-03-28

We report a global, full-dimensional, ab initio potential energy surface describing the HCl-H2O dimer. The potential is constructed from a permutationally invariant fit, using Morse-like variables, to over 44,000 CCSD(T)-F12b∕aug-cc-pVTZ energies. The surface describes the complex and dissociated monomers with a total RMS fitting error of 24 cm(-1). The normal modes of the minima, low-energy saddle point and separated monomers, the double minimum isomerization pathway and electronic dissociation energy are accurately described by the surface. Rigorous quantum mechanical diffusion Monte Carlo (DMC) calculations are performed to determine the zero-point energy and wavefunction of the complex and the separated fragments. The calculated zero-point energies together with a De value calculated from CCSD(T) with a complete basis set extrapolation gives a D0 value of 1348 ± 3 cm(-1), in good agreement with the recent experimentally reported value of 1334 ± 10 cm(-1) [B. E. Casterline, A. K. Mollner, L. C. Ch'ng, and H. Reisler, J. Phys. Chem. A 114, 9774 (2010)]. Examination of the DMC wavefunction allows for confident characterization of the zero-point geometry to be dominant at the C(2v) double-well saddle point and not the C(s) global minimum. Additional support for the delocalized zero-point geometry is given by numerical solutions to the 1D Schrödinger equation along the imaginary-frequency out-of-plane bending mode, where the zero-point energy is calculated to be 52 cm(-1) above the isomerization barrier. The D0 of the fully deuterated isotopologue is calculated to be 1476 ± 3 cm(-1), which we hope will stand as a benchmark for future experimental work.

Simple Harmonic Motion in Harmonic Plane Waves.

ERIC Educational Resources Information Center

Benumof, Reuben

1980-01-01

Discusses the distribution of kinetic and potential energy in transverse and longitudinal waves and examines the transmission of power and momentum. This discussion is intended to aid in understanding the simple harmonic motion of a particle involved in the propagation of a harmonic mechanical plane wave. (HM)

NARROW-GAP POINT-TO-PLANE CORONA WITH HIGH VELOCITY FLOWS

EPA Science Inventory

The article discusses a mathematical model developed to describe a narrow- gap point- to- plane corona system used in the detoxification of chemical agents or their simulants, for which the degree of destruction depends on the strength of the electric field or electron energy. Na...

Movement of basal plane dislocations in GaN during electron beam irradiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yakimov, E. B.; National University of Science and Technology MISiS, Leninskiy pr. 4, Moscow 119049; Vergeles, P. S.

The movement of basal plane segments of dislocations in low-dislocation-density GaN films grown by epitaxial lateral overgrowth as a result of irradiation with the probing beam of a scanning electron microscope was detected by means of electron beam induced current. Only a small fraction of the basal plane dislocations was susceptible to such changes and the movement was limited to relatively short distances. The effect is explained by the radiation enhanced dislocation glide for dislocations pinned by two different types of pinning sites: a low-activation-energy site and a high-activation-energy site. Only dislocation segments pinned by the former sites can bemore » moved by irradiation and only until they meet the latter pinning sites.« less

Comparison of localized basis and plane-wave basis for density-functional calculations of organic molecules on metals

NASA Astrophysics Data System (ADS)

Lee, Kyuho; Yu, Jaejun; Morikawa, Yoshitada

2007-01-01

Localized pseudoatomic orbitals (PAOs) are mainly optimized and tested for the strong chemical bonds within molecules and solids with their proven accuracy and efficiency, but are prone to significant basis set superposition error (BSSE) for weakly interacting systems. Here we test the accuracy of PAO basis in comparison with the BSSE-free plane-wave basis for the physisorption of pentacene molecule on Au (001) by calculating the binding energy, adsorption height, and energy level alignment. We show that both the large cutoff radius for localized PAOs and the counter-poise correction for BSSE are necessary to obtain well-converged physical properties. Thereby obtained results are as accurate as the plane-wave basis results. The comparison with experiment is given as well.

Electric and magnetic superlattices in trilayer graphene

NASA Astrophysics Data System (ADS)

Uddin, Salah; Chan, K. S.

2016-01-01

The properties of one dimensional Kronig-Penney type of periodic electric and vector potential on ABC-trilayer graphene superlattices are investigated. The energy spectra obtained with periodic vector potentials shows the emergence of extra Dirac points in the energy spectrum with finite energies. For identical barrier and well widths, the original as well as the extra Dirac points are located in the ky = 0 plane. An asymmetry between the barrier and well widths causes a shift in the extra Dirac points away from the ky = 0 plane. Extra Dirac points having same electron hole crossing energy as that of the original Dirac point as well as finite energy Dirac points are generated in the energy spectrum when periodic electric potential is applied to the system. By applying electric and vector potential together, the symmetry of the energy spectrum about the Fermi level is broken. A tunable band gap is induced in the energy spectrum by applying both electric and vector potential simultaneously with different barrier and well widths.

Crackling sound generation during the formation of liquid bridges: A lattice gas model

NASA Astrophysics Data System (ADS)

Almeida, Alexandre B.; Buldyrev, Sergey V.; Alencar, Adriano M.

2013-08-01

Due to abnormal mechanical instabilities, liquid bridges may form in the small airways blocking airflow. Liquid bridge ruptures during inhalation are the major cause of the crackling adventitious lung sound, which can be heard using a simple stethoscope. Recently, Vyshedskiy and colleagues (2009) [1] described and characterized a crackle sound originated during expiration. However, the mechanism and origin of the expiratory crackle are still controversial. Thus, in this paper, we propose a mechanism for expiratory crackles. We hypothesize that the expiratory crackle sound is a result of the energy released in the form of acoustic waves during the formation of the liquid bridge. The magnitude of the energy released is proportional to the difference in free energy prior and after the bridge formation. We use a lattice gas model to describe the liquid bridge formation between two parallel planes. Specifically, we determine the surface free energy and the conditions of the liquid bridge formation between two parallel planes separated by a distance 2h by a liquid droplet of volume Ω and contact angle Θ, using both Monte Carlo simulation of a lattice gas model and variational calculus based on minimization of the surface area with the volume and the contact angle constrained. We numerically and analytically determine the phase diagram of the system as a function of the dimensionless parameter hΩ and Θ. We can distinguish two different phases: one droplet and one liquid bridge. We observe a hysteresis curve for the energy changes between these two states, and a finite size effect in the bridge formation. We compute the release of free energy during the formation of the liquid bridge and discuss the results in terms of system size. We also calculate the force exerted from liquid bridge on the planes by studying the dependence of the free energy on the separation between the planes 2h. The simulation results are in agreement with the analytical solution.

Practice of Meteorological Services in Turpan Solar Eco-City in China (Invited)

NASA Astrophysics Data System (ADS)

Shen, Y.; Chang, R.; He, X.; Jiang, Y.; Zhao, D.; Ma, J.

2013-12-01

Turpan Solar Eco-City is located in Gobi in Northwest China, which is one of the National New Energy Demonstration Urban. The city was planed and designed from October of 2008 and constructed from May of 2010, and the first phase of the project has been completed by October of 2013. Energy supply in Turpan Solar Eco-City is mainly from PV power, which is installed in all of the roof and the total capacity is 13.4MW. During the planning and designing of the city, and the running of the smart grid, meteorological services have played an important role. 1) Solar Energy Resource Assessment during Planning Phase. According to the observed data from meteorological stations in recent 30 years, solar energy resource was assessed and available PV power generation capacity was calculated. The results showed that PV power generation capacity is 1.3 times the power consumption, that is, solar energy resource in Turpan is rich. 2) Key Meteorological Parameters Determination for Architectural Design. A professional solar energy resource station was constructed and the observational items included Global Horizontal Irradiance, Inclined Total Solar Irradiance at 30 degree, Inclined Total Solar Irradiance at local latitude, and so on. According these measured data, the optical inclined angle for PV array was determined, that is, 30 degree. The results indicated that the annual irradiation on inclined plane with optimal angle is 1.4% higher than the inclined surface with latitude angle, and 23.16% higher than the horizontal plane. The diffuse ratio and annual variation of the solar elevation angle are two major factors that influence the irradiation on inclined plane. 3) Solar Energy Resource Forecast for Smart Grid. Weather Research Forecast (WRF) model was used to forecast the hourly solar radiation of future 72 hours and the measured irradiance data was used to forecast the minutely solar radiation of future 4 hours. The forecast results were submitted to smart grid and used to regulate the local grid and the city gird.

MIXS on BepiColombo and its DEPFET based focal plane instrumentation

NASA Astrophysics Data System (ADS)

Treis, J.; Andricek, L.; Aschauer, F.; Heinzinger, K.; Herrmann, S.; Hilchenbach, M.; Lauf, T.; Lechner, P.; Lutz, G.; Majewski, P.; Porro, M.; Richter, R. H.; Schaller, G.; Schnecke, M.; Schopper, F.; Soltau, H.; Stefanescu, A.; Strüder, L.; de Vita, G.

2010-12-01

Focal plane instrumentation based on DEPFET Macropixel devices, being a combination of the Detector-Amplifier structure DEPFET with a silicon drift chamber (SDD), has been proposed for the MIXS (Mercury Imaging X-ray Spectrometer) instrument on ESA's Mercury exploration mission BepiColombo. MIXS images X-ray fluorescent radiation from the Mercury surface with a lightweight X-ray mirror system on the focal plane detector to measure the spatially resolved element abundance in Mercury's crust. The sensor needs to have an energy resolution better than 200 eV FWHM at 1 keV and is required to cover an energy range from 0.5 to 10 keV, for a pixel size of 300×300μm2. Main challenges for the instrument are radiation damage and the difficult thermal environment in the mercury orbit. The production of the first batch of flight devices has been finished at the MPI semiconductor laboratory. Prototype modules have been assembled to verify the electrical properties of the devices; selected results are presented here. The prototype devices, Macropixel prototypes for the SIMBOL-X focal plane, are electrically fully compatible, but have a pixel size of 0.5×0.5 mm2. Excellent homogeneity and near Fano-limited energy resolution at high readout speeds have been observed on these devices.

Detection and Tracking of Moving Targets Behind Cluttered Environments Using Compressive Sensing

NASA Astrophysics Data System (ADS)

Dang, Vinh Quang

Detection and tracking of moving targets (target's motion, vibration, etc.) in cluttered environments have been receiving much attention in numerous applications, such as disaster search-and-rescue, law enforcement, urban warfare, etc. One of the popular techniques is the use of stepped frequency continuous wave radar due to its low cost and complexity. However, the stepped frequency radar suffers from long data acquisition time. This dissertation focuses on detection and tracking of moving targets and vibration rates of stationary targets behind cluttered medium such as wall using stepped frequency radar enhanced by compressive sensing. The application of compressive sensing enables the reconstruction of the target space using fewer random frequencies, which decreases the acquisition time. Hardware-accelerated parallelization on GPU is investigated for the Orthogonal Matching Pursuit reconstruction algorithm. For simulation purpose, two hybrid methods have been developed to calculate the scattered fields from the targets through the wall approaching the antenna system, and to convert the incoming fields into voltage signals at terminals of the receive antenna. The first method is developed based on the plane wave spectrum approach for calculating the scattered fields of targets behind the wall. The method uses Fast Multiple Method (FMM) to calculate scattered fields on a particular source plane, decomposes them into plane wave components, and propagates the plane wave spectrum through the wall by integrating wall transmission coefficients before constructing the fields on a desired observation plane. The second method allows one to calculate the complex output voltage at terminals of a receiving antenna which fully takes into account the antenna effects. This method adopts the concept of complex antenna factor in Electromagnetic Compatibility (EMC) community for its calculation.

Aqua­{6,6′-dimeth­oxy-2,2′-[ethane-1,2-diylbis(nitrilo­methyl­idyne)]diphenolato}nickel(II)

PubMed Central

Guo, Zhenghua; Li, Lianzhi; Xu, Tao; Li, Jinghong; Wang, Daqi

2009-01-01

The title complex, [Ni(C18H18N2O4)(H2O)], lies on a mirror plane with the NiII ion coordinated by two N and two O atoms of a tetra­dentate Schiff base ligand and one water O atom in a distorted square-pyramidal enviroment. The –CH2–CH2– group of the ligand is disordered equally over two sites about the mirror plane. The dihedral angle between the mean planes of the two symmetry-related chelate rings is 37.16 (6)°. In the crystal structure, inter­molecular O—H⋯O hydrogen bonds link complex mol­ecules into one-dimensional chains along [100] and these chains are linked, in turn, by very weak inter­molecular C—H⋯O hydrogen bonds into a two-dimensional network. PMID:21577698

Tempest in a glass tube: A helical vortex formation in a complex plasma

NASA Astrophysics Data System (ADS)

Saitou, Yoshifumi; Ishihara, Osamu; Ishihara

2014-12-01

A collective behavior of dust particles in a complex plasma with a magnetic field (up to 4 kG) is investigated. Dust particles form a dust disk which is rotating in a horizontal plane pushed by ions rotating with the E × B drift as a trigger force. The thickness of the disk is determined by controlling the experimental conditions. The disk rotates in a horizontal plane and forms a two-dimensional thin structure when the pressure pAr is relatively high. The dust particles are ejected from near the disk center and form a rotation in the vertical plane and, hence, forms a helical vortex when the disk is thick for relatively low pAr . The reason the dust disk has the different thickness is due to the neutral pressure. Under a higher (lower) neutral gas pressure, the disk becomes two (three) dimensional due to the influence of the neutral drag force.

An affine model of the dynamics of astrophysical discs

NASA Astrophysics Data System (ADS)

Ogilvie, Gordon I.

2018-06-01

Thin astrophysical discs are very often modelled using the equations of 2D hydrodynamics. We derive an extension of this model that describes more accurately the behaviour of a thin disc in the absence of self-gravity, magnetic fields, and complex internal motions. The ideal fluid theory is derived directly from Hamilton's Principle for a 3D fluid after making a specific approximation to the deformation gradient tensor. We express the equations in Eulerian form after projection on to a reference plane. The disc is thought of as a set of fluid columns, each of which is capable of a time-dependent affine transformation, consisting of a translation together with a linear transformation in three dimensions. Therefore, in addition to the usual 2D hydrodynamics in the reference plane, the theory allows for a deformation of the mid-plane (as occurs in warped discs) and for the internal shearing motions that accompany such deformations. It also allows for the vertical expansions driven in non-circular discs by a variation of the vertical gravitational field around the horizontal streamlines, or by a divergence of the horizontal velocity. The equations of the affine model embody conservation laws for energy and potential vorticity, even for non-planar discs. We verify that they reproduce exactly the linear theories of 3D warped and eccentric discs in a secular approximation. However, the affine model does not rely on any secular or small-amplitude assumptions and should be useful in more general circumstances.

Direct Electrical Probing of Periodic Modulation of Zinc-Dopant Distributions in Planar Gallium Arsenide Nanowires.

PubMed

Choi, Wonsik; Seabron, Eric; Mohseni, Parsian K; Kim, Jeong Dong; Gokus, Tobias; Cernescu, Adrian; Pochet, Pascal; Johnson, Harley T; Wilson, William L; Li, Xiuling

2017-02-28

Selective lateral epitaxial (SLE) semiconductor nanowires (NWs), with their perfect in-plane epitaxial alignment, ability to form lateral complex p-n junctions in situ, and compatibility with planar processing, are a distinctive platform for next-generation device development. However, the incorporation and distribution of impurity dopants in these planar NWs via the vapor-liquid-solid growth mechanism remain relatively unexplored. Here, we present a detailed study of SLE planar GaAs NWs containing multiple alternating axial segments doped with Si and Zn impurities by metalorganic chemical vapor deposition. The dopant profile of the lateral multi-p-n junction GaAs NWs was imaged simultaneously with nanowire topography using scanning microwave impedance microscopy and correlated with infrared scattering-type near-field optical microscopy. Our results provide unambiguous evidence that Zn dopants in the periodically twinned and topologically corrugated p-type segments are preferentially segregated at twin plane boundaries, while Si impurity atoms are uniformly distributed within the n-type segments of the NWs. These results are further supported by microwave impedance modulation microscopy. The density functional theory based modeling shows that the presence of Zn dopant atoms reduces the formation energy of these twin planes, and the effect becomes significantly stronger with a slight increase of Zn concentration. This implies that the twin formation is expected to appear when a threshold planar concentration of Zn is achieved, making the onset and twin periodicity dependent on both Zn concentration and nanowire diameter, in perfect agreement with our experimental observations.

Bonded half planes containing an arbitrarily oriented crack

NASA Technical Reports Server (NTRS)

Erdogan, F.; Aksogan, O.

1973-01-01

The plane elastostatic problem for two bonded half planes containing an arbitrarily oriented crack in the neighborhood of the interface is considered. Using Mellin transforms, the problem is formulated as a system of singular integral equations. The equations are solved for various crack orientations, material combinations, and external loads. The numerical results given include the stress intensity factors, tHe strain energy release rates, and tHe probable cleavage angles giving the direction of crack propagation.

Discovery of a New Fundamental Plane Dictating Galaxy Cluster Evolution from Gravitational Lensing

NASA Astrophysics Data System (ADS)

Fujita, Yutaka; Umetsu, Keiichi; Rasia, Elena; Meneghetti, Massimo; Donahue, Megan; Medezinski, Elinor; Okabe, Nobuhiro; Postman, Marc

2018-04-01

In cold dark-matter (CDM) cosmology, objects in the universe have grown under the effect of gravity of dark matter. The intracluster gas in a galaxy cluster was heated when the dark-matter halo formed through gravitational collapse. The potential energy of the gas was converted to thermal energy through this process. However, this process and the thermodynamic history of the gas have not been clearly characterized in connection with the formation and evolution of the internal structure of dark-matter halos. Here, we show that observational CLASH data of high-mass galaxy clusters lie on a plane in the three-dimensional logarithmic space of their characteristic radius r s , mass M s , and X-ray temperature T X with a very small orthogonal scatter. The tight correlation indicates that the gas temperature was determined at a specific cluster formation time, which is encoded in r s and M s . The plane is tilted with respect to T X ∝ M s /r s , which is the plane expected in the case of simplified virial equilibrium. We show that this tilt can be explained by a similarity solution, which indicates that clusters are not isolated but continuously growing through matter accretion from their outer environments. Numerical simulations reproduce the observed plane and its angle. This result holds independently of the gas physics implemented in the code, revealing the fundamental origin of this plane.

Real-time ultrasound-guided spinal anesthesia using the SonixGPS ultrasound guidance system: a feasibility study.

PubMed

Niazi, A U; Chin, K J; Jin, R; Chan, V W

2014-08-01

Real-time ultrasound-guided neuraxial blockade remains a largely experimental technique. SonixGPS® is a new needle tracking system that displays needle tip position on the ultrasound screen. We investigated if this novel technology might aid performance of real-time ultrasound-guided spinal anesthesia. Twenty patients with body mass index < 35 kg/m(2) undergoing elective total joint arthroplasty under spinal anesthesia were recruited. Patients with previous back surgery and spinal abnormalities were excluded. Following a pre-procedural ultrasound scan, a 17G proprietary needle-sensor assembly was inserted in-plane to the transducer in four patients and out-of-plane in 16 patients. In both approaches, the trajectory of insertion was adjusted in real-time until the needle tip lay just superficial to the ligamentum flavum-dura mater complex. At this point, a 25G 120 mm Whitacre spinal needle was inserted through the 17G SonixGPS® needle. Successful dural puncture was confirmed by backflow of cerebrospinal fluid from the spinal needle. An overall success rate of 14/20 (70%) was seen with two failures (50%) and four failures (25%) in the in-plane and out-of-plane groups respectively. Dural puncture was successful on the first skin puncture in 71% of patients and in a single needle pass in 57% of patients. The median total procedure time was 16.4 and 11.1 min in the in-plane and out-of-plane groups respectively. The SonixGPS® system simplifies real-time ultrasound-guided spinal anesthesia to a large extent, especially the out-of-plane approach. Nevertheless, it remains a complex multi-step procedure that requires time, specialized equipment, and a working knowledge of spinal sonoanatomy. © 2014 The Acta Anaesthesiologica Scandinavica Foundation. Published by John Wiley & Sons Ltd.

Experimental and theoretical study of the pyrrole cluster photochemistry: Closing the {pi}{sigma}{sup *} dissociation pathway by complexation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Poterya, Viktoriya; Profant, Vaclav; Farnik, Michal

Photolysis of size selected pyrrole clusters has been investigated and compared to the photolysis of an isolated pyrrole molecule. Experimentally, size distributions of different mean cluster sizes (n=3 and n>>5) have been prepared in supersonic expansions and the clusters were photolyzed at 243 and 193 nm. The kinetic energy distributions of the H photofragments have been measured. The distributions exhibit a bimodal character with fast and slow H-fragment peaks similar to the spectra of the bare molecule. However, with increasing cluster size the slow component gains intensity with respect to the fast one. A similar effect is observed with increasingmore » the excitation energy from 243 to 193 nm. Theoretical calculations at the CASSCF/CASPT2 level have been performed for bare and complexed pyrroles (pyrrole is complexed with an argon atom and with another pyrrole unit). Combination of theoretical and experimental approaches leads to the conclusion that the direct dissociative pathway along the {pi}{sigma}{sup *} potential energy surface in the N-H stretch coordinate is closed by the presence of the solvent molecule. This pathway is an important channel leading to the fast H atoms in the dissociation of the bare molecule. The solvent molecule influences significantly the electronic structure in the Rydberg-type {pi}{sigma}{sup *} state while it has little influence on the valence states. The slow channel is mostly populated by the out-of-plane deformation mode which is also not influenced by solvation. We have also studied other possible reaction channels in pyrrole clusters (hydrogen transfer, dimerization). The present study shows that more insight into the bulk behavior of biologically relevant molecules can be gained from cluster studies.« less

Theoretical insights into the structures and mechanical properties of HMX/NQ cocrystal explosives and their complexes, and the influence of molecular ratios on their bonding energies.

PubMed

Li, Yong-Xiang; Chen, Shu-Sen; Ren, Fu-de

2015-09-01

Molecular dynamics (MD) methods were employed to study the binding energies and mechanical properties of selected crystal planes of 1,3,5,7-tetranitro-1,3,5,7-tetrazacyclooctane (HMX)/nitroguanidine (NQ) cocrystals at different molecular molar ratios. The densities and detonation velocities of the cocrystals at different molar ratios were estimated. The intermolecular interaction and bond dissociation energy (BDE) of the N-NO2 bond in the HMX:NQ (1:1) complex were calculated using the B3LYP, MP2(full) and M06-2X methods with the 6-311++G(d,p) and 6-311++G(2df,2p) basis sets. The results indicated that the HMX/NQ cocrystal prefers cocrystalizing in a 1:1 molar ratio, and the cocrystallization is dominated by the (0 2 0) and (1 0 0) facets. The K, G, and E values of the ratio of 1:1 are smaller than those of the other ratios, and the 1:1 cocrystal has the best ductility. The N-NO2 bond becomes stronger upon the formation of the intermolecular H-bonding interaction and the sensitivity of HMX decreases in the cocrystal. This sensitivity change in the HMX/NQ cocrystal originates not only from the formation of the intermolecular interaction but also from the increment of the BDE of N-NO2 bond in comparison with isolated HMX. The HMX/NQ (1:1) cocrystal exhibits good detonation performance. Reduced density gradient (RDG) reveals the nature of cocrystallization. Analysis of the surface electrostatic potential further confirmed that the sensitivity decreases in complex (or cocrystal) in comparison with that in isolated HMX.

Making the Tent Function Complex

ERIC Educational Resources Information Center

Sprows, David J.

2010-01-01

This note can be used to illustrate to the student such concepts as periodicity in the complex plane. The basic construction makes use of the Tent function which requires only that the student have some working knowledge of binary arithmetic.

Advanced Supersonic Nozzle Concepts: Experimental Flow Visualization Results Paired With LES

NASA Astrophysics Data System (ADS)

Berry, Matthew; Magstadt, Andrew; Stack, Cory; Gaitonde, Datta; Glauser, Mark; Syracuse University Team; The Ohio State University Team

2015-11-01

Advanced supersonic nozzle concepts are currently under investigation, utilizing multiple bypass streams and airframe integration to bolster performance and efficiency. This work focuses on the parametric study of a supersonic, multi-stream jet with aft deck. The single plane of symmetry, rectangular nozzle, displays very complex and unique flow characteristics. Flow visualization techniques in the form of PIV and schlieren capture flow features at various deck lengths and Mach numbers. LES is compared to the experimental results to both validate the computational model and identify limitations of the simulation. By comparing experimental results to LES, this study will help create a foundation of knowledge for advanced nozzle designs in future aircraft. SBIR Phase II with Spectral Energies, LLC under direction of Barry Kiel.

Competing magnetostructural phases in a semiclassical system

NASA Astrophysics Data System (ADS)

O'Neal, Kenneth R.; Lee, Jun Hee; Kim, Maeng-Suk; Manson, Jamie L.; Liu, Zhenxian; Fishman, Randy S.; Musfeldt, Janice L.

2017-11-01

The interplay between charge, structure, and magnetism gives rise to rich phase diagrams in complex materials with exotic properties emerging when phases compete. Molecule-based materials are particularly advantageous in this regard due to their low energy scales, flexible lattices, and chemical tunability. Here, we bring together high pressure Raman scattering, modeling, and first principles calculations to reveal the pressure-temperature-magnetic field phase diagram of Mn[N(CN)2]2. We uncover how hidden soft modes involving octahedral rotations drive two pressure-induced transitions triggering the low → high magnetic anisotropy crossover and a unique reorientation of exchange planes. These magnetostructural transitions and their mechanisms highlight the importance of spin-lattice interactions in establishing phases with novel magnetic properties in Mn(II)-containing systems.

Simulation of the Simbol-X Telescope

NASA Astrophysics Data System (ADS)

Chauvin, M.; Roques, J. P.

2009-05-01

We have developed a simulation tool for a Wolter I telescope operating in formation flight. The aim is to understand and predict the behavior of the Simbol-X instrument. As the geometry is variable, formation flight introduces new challenges and complex implications. Our code, based on Monte Carlo ray tracing, computes the full photon trajectories up to the detector plane, along with the relative drifts of the two spacecrafts. It takes into account angle and energy dependent interactions of the photons with the mirrors and applies to any grazing incidence telescope. The resulting images of simulated sources from 0.1 keV to 100 keV allow us to optimize the configuration of the instrument and to assess the performance of the Simbol-X telescope.

Stiffness Matrix of Thin-Walled Open Bar Subject to Bending, Bending Torsion and Shift of Cross Section Middle Surface

NASA Astrophysics Data System (ADS)

Panasenko, N. N.; Sinelschikov, A. V.

2017-11-01

One of the main stages in the analysis of complex 3D structures and engineering constructions made of thin-walled open bars using FEM is a stiffness matrix developing. Taking into account middle surface shear deformation caused by the work of tangential stresses in the formula to calculate a potential energy of thin-walled open bars, the authors obtain an important correction at calculation of the bar deformation and fundamental frequencies. The results of the analysis of the free end buckling of a cantilever H-bar under plane bending differ from exact solution by 0.53%. In the course of comparison of the obtained results with the cantilever bar buckling regardless the middle surface shear deformation, an increase made 16.6%. The stiffness matrix of a thin-walled open bar developed in the present work can be integrated into any software suite using FEM for the analysis of complex 3-D structures and engineering constructions with n-freedoms.

Encoding Optoelectrical Sub-Components in an Al2O3 Nanowire for Rewritable High-Resolution Nanopatterning.

PubMed

Sun, Bo; Sun, Yong; Wang, Chengxin

2018-06-14

Nanoscale encoding denotes the creation of distinct electric and photonic properties within small, artificially defined regions by physical or chemical means. An encoded single nanostructure includes independent subcomponents as functional units that can also work as functional integrated nanosystems. These can be applied in high-resolution displays, detection systems, and even more complex devices. However, there is still no agreed-upon best platform satisfying all requirements. This paper demonstrates a competitive candidate based on defect engineering, that is, low energy focused e-beam-induced oxygen ion migration in a carbon-doped Al 2 O 3 nanowire. The electronic and photonic properties of these singular units are examined to be significantly modified. Their application in a nanoscale steganography strategy was also evaluated in detail. Complex patterns composed of points, lines, and planes were printed on a single nanowire using a focused e-beam and were subsequently erasable via a simple thermal process in air.

Strain-Engineered Oxygen Vacancies in CaMnO3 Thin Films.

PubMed

Chandrasena, Ravini U; Yang, Weibing; Lei, Qingyu; Delgado-Jaime, Mario U; Wijesekara, Kanishka D; Golalikhani, Maryam; Davidson, Bruce A; Arenholz, Elke; Kobayashi, Keisuke; Kobata, Masaaki; de Groot, Frank M F; Aschauer, Ulrich; Spaldin, Nicola A; Xi, Xiaoxing; Gray, Alexander X

2017-02-08

We demonstrate a novel pathway to control and stabilize oxygen vacancies in complex transition-metal oxide thin films. Using atomic layer-by-layer pulsed laser deposition (PLD) from two separate targets, we synthesize high-quality single-crystalline CaMnO 3 films with systematically varying oxygen vacancy defect formation energies as controlled by coherent tensile strain. The systematic increase of the oxygen vacancy content in CaMnO 3 as a function of applied in-plane strain is observed and confirmed experimentally using high-resolution soft X-ray absorption spectroscopy (XAS) in conjunction with bulk-sensitive hard X-ray photoemission spectroscopy (HAXPES). The relevant defect states in the densities of states are identified and the vacancy content in the films quantified using the combination of first-principles theory and core-hole multiplet calculations with holistic fitting. Our findings open up a promising avenue for designing and controlling new ionically active properties and functionalities of complex transition-metal oxides via strain-induced oxygen-vacancy formation and ordering.

Tunable magnetism in metal adsorbed fluorinated nanoporous graphene

DOE PAGES

Kumar, Pankaj; Sharma, Vinit; Reboredo, Fernando A.; ...

2016-08-24

Developing nanostructures with tunable magnetic states is crucial for designing novel data storage and quantum information devices. Using density functional theory, we study the thermodynamic stability and magnetic properties of tungsten adsorbed tri-vacancy fluorinated (TVF) graphene. We demonstrate a strong structure-property relationship and its response to external stimuli via defect engineering in graphene-based materials. Complex interplay between defect states and the chemisorbed atom results in a large magnetic moment of 7 μ B along with high in-plane magneto-crystalline anisotropy energy (MAE) of 17 meV. Under the influence of electric field, spin crossover effect accompanied by a change in the MAEmore » is observed. The ascribed change in spin-configuration is caused by the modification of exchange coupling between defect states and a change in the occupation of d-orbitals of the metal complex. In conclusion, our predictions open a promising way towards controlling the magnetic properties in graphene based spintronic and non-volatile memory devices.« less

Experimental observations of a complex, supersonic nozzle concept

NASA Astrophysics Data System (ADS)

Magstadt, Andrew; Berry, Matthew; Glauser, Mark; Ruscher, Christopher; Gogineni, Sivaram; Kiel, Barry; Skytop Turbulence Labs, Syracuse University Team; Spectral Energies, LLC. Team; Air Force Research Laboratory Team

2015-11-01

A complex nozzle concept, which fuses multiple canonical flows together, has been experimentally investigated via pressure, schlieren and PIV in the anechoic chamber at Syracuse University. Motivated by future engine designs of high-performance aircraft, the rectangular, supersonic jet under investigation has a single plane of symmetry, an additional shear layer (referred to as a wall jet) and an aft deck representative of airframe integration. Operating near a Reynolds number of 3 ×106 , the nozzle architecture creates an intricate flow field comprised of high turbulence levels, shocks, shear & boundary layers, and powerful corner vortices. Current data suggest that the wall jet, which is an order of magnitude less energetic than the core, has significant control authority over the acoustic power through some non-linear process. As sound is a direct product of turbulence, experimental and analytical efforts further explore this interesting phenomenon associated with the turbulent flow. The authors acknowledge the funding source, a SBIR Phase II project with Spectral Energies, LLC. and AFRL turbine engine branch under the direction of Dr. Barry Kiel.

Nonperturbative Quantum Physics from Low-Order Perturbation Theory.

PubMed

Mera, Héctor; Pedersen, Thomas G; Nikolić, Branislav K

2015-10-02

The Stark effect in hydrogen and the cubic anharmonic oscillator furnish examples of quantum systems where the perturbation results in a certain ionization probability by tunneling processes. Accordingly, the perturbed ground-state energy is shifted and broadened, thus acquiring an imaginary part which is considered to be a paradigm of nonperturbative behavior. Here we demonstrate how the low order coefficients of a divergent perturbation series can be used to obtain excellent approximations to both real and imaginary parts of the perturbed ground state eigenenergy. The key is to use analytic continuation functions with a built-in singularity structure within the complex plane of the coupling constant, which is tailored by means of Bender-Wu dispersion relations. In the examples discussed the analytic continuation functions are Gauss hypergeometric functions, which take as input fourth order perturbation theory and return excellent approximations to the complex perturbed eigenvalue. These functions are Borel consistent and dramatically outperform widely used Padé and Borel-Padé approaches, even for rather large values of the coupling constant.

L-dependence of low energy spin excitations in FeTe/Se superconductors

NASA Astrophysics Data System (ADS)

Xu, Guangyong; Xu, Zhijun; Schneeloch, John; Wen, Jinsheng; Winn, Barry; Zhao, Yang; Birgeneau, Robert; Gu, Genda; Tranquada, John

We will present neutron scattering measurements on low energy magnetic excitations from FeTe1-xSex (``11'' system) samples. Our work shows that the low energy magnetic excitations are dominated by 2D correlations in the superconducting (SC) compound at low temperature, with the L-dependence well described by the Fe magnetic form factor. However, at temperatures much higher than TC, the magnetic excitations become more three-dimensional with a clear change in the L-dependence. The low energy magnetic excitations from non-superconducting (NSC) samples, on the other hand, always exhibit three-dimensional features for the entire temperature range of our measurements. Our results suggest that in additional to in-plane correlations, the inter-plane spin correlations are also coupled to the superconducting properties in the ``11'' system.

Focal plane mechanical design of the NISP/Euclid instrument

NASA Astrophysics Data System (ADS)

Bonnefoi, Anne; Bon, William; Niclas, Mathieu; Solheim, Bjarte G. B.; Torvanger, Oyvind; Schistad, Robert; Foulon, Benjamin; Garcia, José; Vives, Sébastien

2016-07-01

Currently in phase C, the Euclid mission selected by ESA in the Cosmic Vision program is dedicated to understand dark energy and dark matter. NISP (standing for Near Infrared Spectro-Photometer) is one of the two instruments of the mission. NISP will combine a photometer and a spectrometer working in the near-IR (0.9-2 microns). Its detection subsystem (called NI-DS) is based on a mosaic of 16 IR detectors cooled down to 90K which are supported by a molybdenum plate. The front-end readout electronics (working at 130K) are supported by another structure in Aluminum. The NI-DS is mounted on the rest of the instrument thanks to a panel in Silicon Carbide (SiC). Finally an optical baffle in Titanium will prevent the rogue light to reach the detectors. On top of the complexity due to the wide range of temperatures and the various materials imposed at the interfaces; the NI-DS has also to incorporate an internal adjustment capability of the position of the focal plane in tip/tilt and focus. This article will present current status of the development of the detection system of NISP.

Shear-band thickness and shear-band cavities in a Zr-based metallic glass

DOE PAGES

Liu, C.; Roddatis, V.; Kenesei, P.; ...

2017-08-14

Strain localization into shear bands in metallic glasses is typically described as a mechanism that occurs at the nano-scale, leaving behind a shear defect with a thickness of 10–20 nm. Here we sample the structure of a single system-spanning shear band that has carried all plastic flow with high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM) and high-energy x-ray tomography (XRT). It is found that the shear-band thickness and the density change relative to the matrix sensitively depend on position along the shear band. A wide distribution of shear-band thickness (10 nm–210 nm) and density change (–1% to –12%)more » is revealed. There is no obvious correlation between shear-band thickness and density change, but larger thicknesses correspond typically to higher density changes. More than 100 micron-size shear-band cavities were identified on the shear-band plane, and their three-dimensional arrangement suggests a strongly fluctuating local curvature of the shear plane. As a result, these findings urge for a more complex view of a shear band than a simple nano-scale planar defect.« less

Shear-band thickness and shear-band cavities in a Zr-based metallic glass

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, C.; Roddatis, V.; Kenesei, P.

Strain localization into shear bands in metallic glasses is typically described as a mechanism that occurs at the nano-scale, leaving behind a shear defect with a thickness of 10–20 nm. Here we sample the structure of a single system-spanning shear band that has carried all plastic flow with high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM) and high-energy x-ray tomography (XRT). It is found that the shear-band thickness and the density change relative to the matrix sensitively depend on position along the shear band. A wide distribution of shear-band thickness (10 nm–210 nm) and density change (–1% to –12%)more » is revealed. There is no obvious correlation between shear-band thickness and density change, but larger thicknesses correspond typically to higher density changes. More than 100 micron-size shear-band cavities were identified on the shear-band plane, and their three-dimensional arrangement suggests a strongly fluctuating local curvature of the shear plane. As a result, these findings urge for a more complex view of a shear band than a simple nano-scale planar defect.« less

Grizzly bear (Ursus arctos horribilis) locomotion: forelimb joint mechanics across speed in the sagittal and frontal planes.

PubMed

Shine, Catherine L; Robbins, Charles T; Nelson, O Lynne; McGowan, Craig P

2017-04-01

The majority of terrestrial locomotion studies have focused on parasagittal motion and paid less attention to forces or movement in the frontal plane. Our previous research has shown that grizzly bears produce higher medial ground reaction forces (lateral pushing from the animal) than would be expected for an upright mammal, suggesting frontal plane movement may be an important aspect of their locomotion. To examine this, we conducted an inverse dynamics analysis in the sagittal and frontal planes, using ground reaction forces and position data from three high-speed cameras of four adult female grizzly bears. Over the speed range collected, the bears used walks, running walks and canters. The scapulohumeral joint, wrist and the limb overall absorb energy (average total net work of the forelimb joints, -0.97 W kg -1 ). The scapulohumeral joint, elbow and total net work of the forelimb joints have negative relationships with speed, resulting in more energy absorbed by the forelimb at higher speeds (running walks and canters). The net joint moment and power curves maintain similar patterns across speed as in previously studied species, suggesting grizzly bears maintain similar joint dynamics to other mammalian quadrupeds. There is no significant relationship with net work and speed at any joint in the frontal plane. The total net work of the forelimb joints in the frontal plane was not significantly different from zero, suggesting that, despite the high medial ground reaction forces, the forelimb acts as a strut in that plane. © 2017. Published by The Company of Biologists Ltd.

Coupled-oscillator theory of dispersion and Casimir-Polder interactions.

PubMed

Berman, P R; Ford, G W; Milonni, P W

2014-10-28

We address the question of the applicability of the argument theorem (of complex variable theory) to the calculation of two distinct energies: (i) the first-order dispersion interaction energy of two separated oscillators, when one of the oscillators is excited initially and (ii) the Casimir-Polder interaction of a ground-state quantum oscillator near a perfectly conducting plane. We show that the argument theorem can be used to obtain the generally accepted equation for the first-order dispersion interaction energy, which is oscillatory and varies as the inverse power of the separation r of the oscillators for separations much greater than an optical wavelength. However, for such separations, the interaction energy cannot be transformed into an integral over the positive imaginary axis. If the argument theorem is used incorrectly to relate the interaction energy to an integral over the positive imaginary axis, the interaction energy is non-oscillatory and varies as r(-4), a result found by several authors. Rather remarkably, this incorrect expression for the dispersion energy actually corresponds to the nonperturbative Casimir-Polder energy for a ground-state quantum oscillator near a perfectly conducting wall, as we show using the so-called "remarkable formula" for the free energy of an oscillator coupled to a heat bath [G. W. Ford, J. T. Lewis, and R. F. O'Connell, Phys. Rev. Lett. 55, 2273 (1985)]. A derivation of that formula from basic results of statistical mechanics and the independent oscillator model of a heat bath is presented.

Resonant two-photon ionization and mass-analyzed threshold ionization spectroscopy of 3,5-difluorophenol

NASA Astrophysics Data System (ADS)

Peng, Wei Chih; Wu, Pei Ying; Tzeng, Shen Yuan; Tzeng, Wen Bih

2018-05-01

The first electronic transition and adiabatic ionization energies of 3,5-difluorophenol (35DFP) have been identified as 37614 cm-1 and 72468 cm-1, respectively. These energy values of 35DFP are marginally higher than those of other positional isomers of difluorophenols (25DFP, 34DFP, and 24DFP). The observed active vibrations are primarily due to the in-plane and out-of-plane ring deformation and substituent-sensitive bending motions in the electronically excited (S1) and cationic ground (D0) states.

Earth radiation budget measurement from a spinning satellite: Conceptual design of detectors

NASA Technical Reports Server (NTRS)

Sromovsky, L. A.; Revercomb, H. E.; Suomi, V. E.

1975-01-01

The conceptual design, sensor characteristics, sensor performance and accuracy, and spacecraft and orbital requirements for a spinning wide-field-of-view earth energy budget detector were investigated. The scientific requirements for measurement of the earth's radiative energy budget are presented. Other topics discussed include the observing system concept, solar constant radiometer design, plane flux wide FOV sensor design, fast active cavity theory, fast active cavity design and error analysis, thermopile detectors as an alternative, pre-flight and in-flight calibration plane, system error summary, and interface requirements.

Dependence of energy resolution of a plane-parallel HPGe detector on bias voltage upon registration of low-energy X-rays

DOE Office of Scientific and Technical Information (OSTI.GOV)

Samedov, V. V., E-mail: v-samedov@yandex.ru

2016-12-15

In this study, we theoretically analyze the processes in a plane-parallel high-purity germanium (HPGe) detector. The generating function of factorial moments describing the process of registration of low-energy X-rays by the HPGe detector with consideration of capture of charge carriers by traps is obtained. It is demonstrated that the coefficients of expansion of the average signal amplitude and variance in power series over the quantity inversely proportional to the bias voltage of the detector allow one to determine the Fano factor, the product of the charge carrier lifetime and mobility, and other characteristics of the semiconductor material of the detector.

Manned Versus Unmanned Risk and Complexity Considerations for Future Midsized X-Planes

NASA Technical Reports Server (NTRS)

Lechniak, Jason A.; Melton, John E.

2017-01-01

The objective of this work was to identify and estimate complexity and risks associated with the development and testing of new low-cost medium-scale X-plane aircraft primarily focused on air transport operations. Piloting modes that were evaluated for this task were manned, remotely piloted, and unmanned flight research programs. This analysis was conducted early in the data collection period for X-plane concept vehicles before preliminary designs were complete. Over 50 different aircraft and system topics were used to evaluate the three piloting control modes. Expert group evaluations from a diverse set of pilots, engineers, and other experts at Aeronautics Research Mission Directorate centers within the National Aeronautics and Space Administration provided qualitative reasoning on the many issues surrounding the decisions regarding piloting modes. The group evaluations were numerically rated to evaluate each topic quantitatively and were used to provide independent criteria for vehicle complexity and risk. An Edwards Air Force Base instruction document was identified that emerged as a source of the effects found in our qualitative and quantitative data. The study showed that a manned aircraft was the best choice to align with test activities for transport aircraft flight research from a low-complexity and low-risk perspective. The study concluded that a manned aircraft option would minimize the risk and complexity to improve flight-test efficiency and bound the cost of the flight-test portion of the program. Several key findings and discriminators between the three modes are discussed in detail.

Atomistic modeling of grain boundary behavior under shear conditions in magnesium and magnesium-based binary alloys

NASA Astrophysics Data System (ADS)

Nahhas, M. K.; Groh, S.

2018-02-01

In this study, the structure, the energetic, and the strength of a { 10 1 bar 1 } < 11 2 bar 0 > symmetric tilt grain boundary in magnesium and magnesium binary alloys were analyzed in the framework of (semi-)empirical potentials. Following a systematic investigation of the transferability and accuracy of the interatomic potentials, atomistic calculations of the grain boundary energy, the grain boundary sliding energy, and the grain boundary strength were performed in pure magnesium and in binary MgX alloys (X = Al, Ca, Gd, Li, Sn, Y, Ag, Nd, and Pb). The data gained in this study were analyzed to identify the most critical material parameters controlling the strength of the grain boundary, and their consequence on atomic shuffling motions occurring at the grain boundary. From the methodology perspective, the role of in-plane and out-of plane relaxation on the grain boundary sliding energy curves was investigated. In pure magnesium, the results showed that in-plane relaxation is critical in activating b2{ 10 1 bar 1 } twinning dislocation resulting in grain boundary migration. In the alloy systems, however, grain boundary migration was disabled as a consequence of the pinning of the grain boundary by segregated elements. Finally, while the grain boundary energy, the shape of the grain boundary sliding energy curves, and the grain boundary sliding energy are critical parameters controlling the grain boundary strength in pure magnesium, only the grain boundary energy and the segregation energy of the alloying elements at the grain boundary were identified as critical material parameters in the alloys system.

Time-ordered exponential on the complex plane and Gell-Mann—Low formula as a mathematical theorem

DOE Office of Scientific and Technical Information (OSTI.GOV)

Futakuchi, Shinichiro; Usui, Kouta

2016-04-15

The time-ordered exponential representation of a complex time evolution operator in the interaction picture is studied. Using the complex time evolution, we prove the Gell-Mann—Low formula under certain abstract conditions, in mathematically rigorous manner. We apply the abstract results to quantum electrodynamics with cutoffs.

Growth morphology of flux-synthesized La4Ti3O12 particles

NASA Astrophysics Data System (ADS)

Hori, Shigeo; Orum, Aslihan; Takatori, Kazumasa; Ikeda, Tomiko; Yoshimura, Masamichi; Tani, Toshihiko

2017-06-01

Anisometric-shaped particles were required for preparation of oriented ceramics by the reactive-templated grain growth method. Hexagonal plate-like particles of La4Ti3O12, (111)-type layered perovskite, were prepared by a molten salt synthesis (MSS), and the relationship between the morphology and crystal structure of the particles was analysed. La4Ti3O12 phase was obtained in KCl and NaCl fluxes whereas not obtained in LiCl. The developed plane of the plate-like particles was determined to be the (00l) plane and the side planes of the particle were found to be parallel the {h0l} planes. Surface steps with a height of approx. 0.9 nm were measured on the developed plane. The step height corresponds to the distance between two adjacent interlayers, which indicates the lowest surface energy of the planes along the interlayers.

The decay of hot nuclei formed in La-induced reactions at E/A=45 MeV

DOE Office of Scientific and Technical Information (OSTI.GOV)

Libby, Bruce

1993-01-01

The decay of hot nuclei formed in the reactions 139La + 27Al, 51V, natCu, and 139La were studied by the coincident detection of up to four complex fragments (Z > 3) emitted in these reactions. Fragments were characterized as to their atomic number, energy and in- and out-of-plane angles. The probability of the decay by an event of a given complex fragment multiplicity as a function of excitation energy per nucleon of the source is nearly independent of the system studied. Additionally, there is no large increase in the proportion of multiple fragment events as the excitation energy of themore » source increases past 5 MeV/nucleon. This is at odds with many prompt multifragmentation models of nuclear decay. The reactions 139La + 27Al, 51V, natCu were also studied by combining a dynamical model calculation that simulates the early stages of nuclear reactions with a statistical model calculation for the latter stages of the reactions. For the reaction 139La + 27Al, these calculations reproduced many of the experimental features, but other features were not reproduced. For the reaction 139La + 51V, the calculation failed to reproduce somewhat more of the experimental features. The calculation failed to reproduce any of the experimental features of the reaction 139La + natCu, with the exception of the source velocity distributions.« less

The decay of hot nuclei formed in La-induced reactions at E/A=45 MeV

DOE Office of Scientific and Technical Information (OSTI.GOV)

Libby, B.

1993-01-01

The decay of hot nuclei formed in the reactions [sup 139]La + [sup 27]Al, [sup 51]V, [sup nat]Cu, and [sup 139]La were studied by the coincident detection of up to four complex fragments (Z > 3) emitted in these reactions. Fragments were characterized as to their atomic number, energy and in- and out-of-plane angles. The probability of the decay by an event of a given complex fragment multiplicity as a function of excitation energy per nucleon of the source is nearly independent of the system studied. Additionally, there is no large increase in the proportion of multiple fragment events asmore » the excitation energy of the source increases past 5 MeV/nucleon. This is at odds with many prompt multifragmentation models of nuclear decay. The reactions [sup 139]La + [sup 27]Al, [sup 51]V, [sup nat]Cu were also studied by combining a dynamical model calculation that simulates the early stages of nuclear reactions with a statistical model calculation for the latter stages of the reactions. For the reaction [sup 139]La + [sup 27]Al, these calculations reproduced many of the experimental features, but other features were not reproduced. For the reaction [sup 139]La + [sup 51]V, the calculation failed to reproduce somewhat more of the experimental features. The calculation failed to reproduce any of the experimental features of the reaction [sup 139]La + [sup nat]Cu, with the exception of the source velocity distributions.« less

Energy harvesting devices for harvesting energy from terahertz electromagnetic radiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Novack, Steven D.; Kotter, Dale K.; Pinhero, Patrick J.

2012-10-09

Methods, devices and systems for harvesting energy from electromagnetic radiation are provided including harvesting energy from electromagnetic radiation. In one embodiment, a device includes a substrate and one or more resonance elements disposed in or on the substrate. The resonance elements are configured to have a resonant frequency, for example, in at least one of the infrared, near-infrared and visible light spectra. A layer of conductive material may be disposed over a portion of the substrate to form a ground plane. An optical resonance gap or stand-off layer may be formed between the resonance elements and the ground plane. Themore » optical resonance gap extends a distance between the resonance elements and the layer of conductive material approximately one-quarter wavelength of a wavelength of the at least one resonance element's resonant frequency. At least one energy transfer element may be associated with the at least one resonance element.« less

Energy harvesting devices for harvesting energy from terahertz electromagnetic radiation

DOEpatents

Novack, Steven D.; Kotter, Dale K.; Pinhero, Patrick J.

2012-10-09

Methods, devices and systems for harvesting energy from electromagnetic radiation are provided including harvesting energy from electromagnetic radiation. In one embodiment, a device includes a substrate and one or more resonance elements disposed in or on the substrate. The resonance elements are configured to have a resonant frequency, for example, in at least one of the infrared, near-infrared and visible light spectra. A layer of conductive material may be disposed over a portion of the substrate to form a ground plane. An optical resonance gap or stand-off layer may be formed between the resonance elements and the ground plane. The optical resonance gap extends a distance between the resonance elements and the layer of conductive material approximately one-quarter wavelength of a wavelength of the at least one resonance element's resonant frequency. At least one energy transfer element may be associated with the at least one resonance element.

Electrochemical and physical properties of electroplated CuO thin films.

PubMed

Dhanasekaran, V; Mahalingam, T

2013-01-01

Cupric oxide thin films have been prepared on ITO glass substrates from an aqueous electrolytic bath containing CuSO4 and tartaric acid. Growth mechanism has been analyzed using cyclic voltammetry. The role of pH on the structural, morphological, compositional, electrical and optical properties of CuO films is investigated. The structural studies revealed that the deposited films are polycrystalline in nature with a cubic structure. The preferential orientation of CuO thin films is found to be along (111) plane. X-ray line profile analysis has been carried out to determine the microstructural parameters of CuO thin films. The pyramid shaped grains are observed from SEM and AFM images. The optical band gap energy and electrical activation energy is found to be 1.45 and 0.37 eV, respectively. Also, the optical constants of CuO thin films such as refractive index (n), complex dielectric constant (epsilon) extinction coefficient (k) and optical conductivity (sigma) are evaluated.

3D printed hierarchical honeycombs with shape integrity under large compressive deformations

DOE PAGES

Chen, Yanyu; Li, Tiantian; Jia, Zian; ...

2017-10-12

Here, we describe the in-plane compressive performance of a new type of hierarchical cellular structure created by replacing cell walls in regular honeycombs with triangular lattice configurations. The fabrication of this relatively complex material architecture with size features spanning from micrometer to centimeter is facilitated by the availability of commercial 3D printers. We apply to these hierarchical honeycombs a thermal treatment that facilitates the shape preservation and structural integrity of the structures under large compressive loading. The proposed hierarchical honeycombs exhibit a progressive failure mode, along with improved stiffness and energy absorption under uniaxial compression. High energy dissipation and shapemore » integrity at large imposed strains (up to 60%) have also been observed in these hierarchical honeycombs under cyclic loading. Experimental and numerical studies suggest that these anomalous mechanical behaviors are attributed to the introduction of a structural hierarchy, intrinsically controlled by the cell wall slenderness of the triangular lattice and by the shape memory effect induced by the thermal and mechanical compressive treatment.« less

Electrical conductivity and dielectric behavior in sodium zinc divanadates

NASA Astrophysics Data System (ADS)

Sallemi, F.; Louati, B.; Guidara, K.

2014-11-01

The Na2ZnV2O7 compound was obtained by the conventional solid-state reaction. The sample was characterized by X-ray powder diffraction, Raman and impedance spectroscopy. The ac electrical conductivity and dielectric properties have been investigated in the frequency and temperature range of 200 Hz-1 MHz and 513 K-729 K, respectively. The direct current conductivity process is thermally activated. The frequency dependence of the conductivity is interpreted using the power law. The close values of activation energies obtained from the analysis of hopping frequency and dc conductivity implies that the transport is due to Na+ cation displacement parallel to (0 0 1) plane located between ZnO4 and VO4 tetrahedra. The evolution of the complex permittivity as a function of angular frequency was investigated. Several important parameters such as charge carrier concentration, ionic mobility and diffusion coefficient were determined. Thermodynamic parameters such as the free energy of activation ∆F, the enthalpy ∆H, and the change in entropy ∆S have been calculated.

Panel Stiffener Debonding Analysis using a Shell/3D Modeling Technique

NASA Technical Reports Server (NTRS)

Krueger, Ronald; Ratcliffe, James G.; Minguet, Pierre J.

2008-01-01

A shear loaded, stringer reinforced composite panel is analyzed to evaluate the fidelity of computational fracture mechanics analyses of complex structures. Shear loading causes the panel to buckle. The resulting out -of-plane deformations initiate skin/stringer separation at the location of an embedded defect. The panel and surrounding load fixture were modeled with shell elements. A small section of the stringer foot, web and noodle as well as the panel skin near the delamination front were modeled with a local 3D solid model. Across the width of the stringer fo to, the mixed-mode strain energy release rates were calculated using the virtual crack closure technique. A failure index was calculated by correlating the results with a mixed-mode failure criterion of the graphite/epoxy material. The objective was to study the effect of the fidelity of the local 3D finite element model on the computed mixed-mode strain energy release rates and the failure index.

Panel-Stiffener Debonding and Analysis Using a Shell/3D Modeling Technique

NASA Technical Reports Server (NTRS)

Krueger, Ronald; Ratcliffe, James G.; Minguet, Pierre J.

2007-01-01

A shear loaded, stringer reinforced composite panel is analyzed to evaluate the fidelity of computational fracture mechanics analyses of complex structures. Shear loading causes the panel to buckle. The resulting out-of-plane deformations initiate skin/stringer separation at the location of an embedded defect. The panel and surrounding load fixture were modeled with shell elements. A small section of the stringer foot, web and noodle as well as the panel skin near the delamination front were modeled with a local 3D solid model. Across the width of the stringer foot, the mixed-mode strain energy release rates were calculated using the virtual crack closure technique. A failure index was calculated by correlating the results with a mixed-mode failure criterion of the graphite/epoxy material. The objective was to study the effect of the fidelity of the local 3D finite element model on the computed mixed-mode strain energy release rates and the failure index.

Regular and chaotic motions of the Chaplygin sleigh with periodically switched location of nonholonomic constraint

NASA Astrophysics Data System (ADS)

Kuznetsov, Sergey P.

2017-04-01

We consider motions of the Chaplygin sleigh on a plane supposing that the nonholonomic constraint is located periodically turn by turn at each of three legs supporting the sleigh. We assume that at switching on the constraint the respective element (“knife-edge”) is directed along the local velocity vector and becomes fixed relatively to the sleigh for a certain time interval till the next switch. Differential equations of the mathematical model are formulated and analytical derivation of a 2D map for the state transformation on the switching period is provided. The dynamics takes place with conservation of the mechanical energy. Numerical simulations show phenomena characteristic to nonholonomic systems with complex dynamics. In particular, on the energy surface attractors may occur responsible for regular sustained motions settling in domains of prevalent area compression by the map. In addition, chaotic and quasi-periodic regimes take place similar to those observed in conservative nonlinear dynamics.

3D printed hierarchical honeycombs with shape integrity under large compressive deformations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Yanyu; Li, Tiantian; Jia, Zian

Here, we describe the in-plane compressive performance of a new type of hierarchical cellular structure created by replacing cell walls in regular honeycombs with triangular lattice configurations. The fabrication of this relatively complex material architecture with size features spanning from micrometer to centimeter is facilitated by the availability of commercial 3D printers. We apply to these hierarchical honeycombs a thermal treatment that facilitates the shape preservation and structural integrity of the structures under large compressive loading. The proposed hierarchical honeycombs exhibit a progressive failure mode, along with improved stiffness and energy absorption under uniaxial compression. High energy dissipation and shapemore » integrity at large imposed strains (up to 60%) have also been observed in these hierarchical honeycombs under cyclic loading. Experimental and numerical studies suggest that these anomalous mechanical behaviors are attributed to the introduction of a structural hierarchy, intrinsically controlled by the cell wall slenderness of the triangular lattice and by the shape memory effect induced by the thermal and mechanical compressive treatment.« less

Structure and Bonding in Uranyl(VI) Peroxide and Crown Ether Complexes; Comparison of Quantum Chemical and Experimental Data.

PubMed

Vallet, Valérie; Grenthe, Ingmar

2017-12-18

The structure, chemical bonding, and thermodynamics of alkali ions in M[12-crown-4] + , M[15-crown-5] + , and M[18-crown-6] + , M[UO 2 (O 2 )(OH 2 ) 2 ] + 4,5 , and M[UO 2 (O 2 )(OH)(OH 2 )] n 1-n (n = 4, 5) complexes have been explored by using quantum chemical (QC) calculations at the ab initio level. The chemical bonding has been studied in the gas phase in order to eliminate solvent effects. QTAIM analysis demonstrates features that are very similar in all complexes and typical for electrostatic M-O bonds, but with the M-O bonds in the uranyl peroxide systems about 20 kJ mol -1 stronger than in the corresponding crown ether complexes. The regular decrease in bond strength with increasing M-O bond distance is consistent with predominantly electrostatic contributions. Energy decomposition of the reaction energies in the gas phase and solvent demonstrates that the predominant component of the total attractive (ΔE elec + ΔE orb ) energy contribution is the electrostatic component. There are no steric constraints for coordination of large cations to small rings, because the M + ions are located outside the ring plane, [O n ], formed by the oxygen donors in the ligands; coordination of ions smaller than the ligand cavity results in longer than normal M-O distances or in a change in the number of bonds, both resulting in weaker complexes. The Gibbs energies, enthalpies, and entropies of reaction calculated using the conductor-like screening model, COSMO, to account for solvent effects deviate significantly from experimental values in water, while those in acetonitrile are in much better agreement. Factors that might affect the selectivity are discussed, but our conclusion is that present QC methods are not accurate enough to describe the rather small differences in selectivity, which only amount to 5-10 kJ mol -1 . We can, however, conclude on the basis of QC and experimental data that M[crown ether] + complexes in the strongly coordinating water solvent are of outer-sphere type, [M(OH 2 ) n + ][crown ether], while those in weakly coordinating acetonitrile are of inner-sphere type, [M-crown ether] + . The observation that the M[UO 2 (O 2 )(OH)(OH 2 )] n 1-n complexes are more stable in solution than those of M[crown ether] + is an effect of the different charges of the rings.

Binding of 3O2 and 1O2 to dyes used in photodynamic therapy in gas phase and aqueous media

NASA Astrophysics Data System (ADS)

Kushwaha, P. S.; Mishra, P. C.

Density functional theory (DFT) was employed at the B3LYP/6-31+G* level to study complexes of 1O2 and 3O2 with the dye molecules proflavine, methylene blue, and acridine orange, which are useful in photodynamic therapy. It was found that the most stable complex between 1O2 and proflavine are formed when 1O2 is located above the central ring, while the most stable complex between 1O2 and methylene blue is formed when 1O2 is located above the molecular plane, but not above any of the rings, near the sulfur atom. 1O2 can make a stable complex with acridine orange, as it is located above the outer ring of the dye. The binding energies of the complexes of 1O2 with all three dyes are enhanced considerably in going from gas phase to aqueous media. The complexes of 3O2 with the dyes will be unstable in all cases, while those of 1O2 with the same will be quite stable and will not be dissociated due to thermal fluctuations at room temperature. In the complexes of 1O2 and 3O2 with the dyes, charge transfer occurs from the dyes to the O2 moiety, the amount of charge transfer being much more to 1O2 than to 3O2 in each case.

The rupture process of the Manjil, Iran earthquake of 20 june 1990 and implications for intraplate strike-slip earthquakes

USGS Publications Warehouse

Choy, G.L.; Zednik, J.

1997-01-01

In terms of seismically radiated energy or moment release, the earthquake of 20 January 1990 in the Manjil Basin-Alborz Mountain region of Iran is the second largest strike-slip earthquake to have occurred in an intracontinental setting in the past decade. It caused enormous loss of life and the virtual destruction of several cities. Despite a very large meizoseismal area, the identification of the causative faults has been hampered by the lack of reliable earthquake locations and conflicting field reports of surface displacement. Using broadband data from global networks of digitally recording seismographs, we analyse broadband seismic waveforms to derive characteristics of the rupture process. Complexities in waveforms generated by the earthquake indicate that the main shock consisted of a tiny precursory subevent followed in the next 20 seconds by a series of four major subevents with depths ranging from 10 to 15 km. The focal mechanisms of the major subevents, which are predominantly strike-slip, have a common nodal plane striking about 285??-295??. Based on the coincidence of this strike with the dominant tectonic fabric of the region we presume that the EW striking planes are the fault planes. The first major subevent nucleated slightly south of the initial precursor. The second subevent occurred northwest of the initial precursor. The last two subevents moved progressively southeastward of the first subevent in a direction collinear with the predominant strike of the fault planes. The offsets in the relative locations and the temporal delays of the rupture subevents indicate heterogeneous distribution of fracture strength and the involvement of multiple faults. The spatial distribution of teleseismic aftershocks, which at first appears uncorrelated with meizoseismal contours, can be decomposed into stages. The initial activity, being within and on the periphery of the rupture zone, correlates in shape and length with meizoseismal lines. In the second stage of activity the aftershock zone expands and appears to cluster about the geomorphic and geologic features several tens of kilometres from the rupture zone. The activity is interpreted as a regional response to quasistatic stress migration along zones of tectonic weakness. The radiated energy of the main shock and the estimate of seismic moment yields an apparent stress of 20 bars. High apparent stress may be typical of strike slip earthquakes occurring in intracontinental environments undergoing continental collision.

Light sheet-based fluorescence microscopy (LSFM) reduces phototoxic effects and provides new means for the modern life sciences

NASA Astrophysics Data System (ADS)

Pampaloni, Francesco; Ansari, Nari; Girard, Philippe; Stelzer, Ernst H. K.

2011-07-01

Most optical technologies are applied to flat, basically two-dimensional cellular systems. However, physiological meaningful information relies on the morphology, the mechanical properties and the biochemistry of a cell's context. A cell requires the complex three-dimensional relationship to other cells. However, the observation of multi-cellular biological specimens remains a challenge. Specimens scatter and absorb light, thus, the delivery of the probing light and the collection of the signal light become inefficient; many endogenous biochemical compounds also absorb light and suffer degradation of some sort (photo-toxicity), which induces malfunction of a specimen. In conventional and confocal fluorescence microscopy, whenever a single plane, the entire specimen is illuminated. Recording stacks of images along the optical Z-axis thus illuminates the entire specimen once for each plane. Hence, cells are illuminated 10-20 and fish 100-300 times more often than they are observed. This can be avoided by changing the optical arrangement. The basic idea is to use light sheets, which are fed into the specimen from the side and overlap with the focal plane of a wide-field fluorescence microscope. In contrast to an epi-fluorescence arrangement, such an azimuthal fluorescence arrangement uses two independently operated lenses for illumination and detection. Optical sectioning and no photo-toxic damage or photo-bleaching outside a small volume close to the focal plane are intrinsic properties. Light sheet-based fluorescence microscopy (LSFM) takes advantage of modern camera technologies. LSFM can be operated with laser cutters and for fluorescence correlation spectroscopy. During the last few years, LSFM was used to record zebrafish development from the early 32-cell stage until late neurulation with sub-cellular resolution and short sampling periods (60-90 sec/stack). The recording speed was five 4-Megapixel large frames/sec with a dynamic range of 12-14 bit. We followed cell movements during gastrulation, revealed the development during cell migration processes and showed that an LSFM exposes an embryo to 200 times less energy than a conventional and 5,000 times less energy than a confocal fluorescence microscope. Most recently, we implemented incoherent structured illumination in our DSLM. The intensity modulated light sheets can be generated with dynamic frequencies and allow us to estimate the effect of the specimen on the image formation process at various depths in objects of different age.

A three-plane architectonic atlas of the rat hippocampal region.

PubMed

Boccara, Charlotte N; Kjonigsen, Lisa J; Hammer, Ingvild M; Bjaalie, Jan G; Leergaard, Trygve B; Witter, Menno P

2015-07-01

The hippocampal region, comprising the hippocampal formation and the parahippocampal region, has been one of the most intensively studied parts of the brain for decades. Better understanding of its functional diversity and complexity has led to an increased demand for specificity in experimental procedures and manipulations. In view of the complex 3D structure of the hippocampal region, precisely positioned experimental approaches require a fine-grained architectural description that is available and readable to experimentalists lacking detailed anatomical experience. In this paper, we provide the first cyto- and chemoarchitectural description of the hippocampal formation and parahippocampal region in the rat at high resolution and in the three standard sectional planes: coronal, horizontal and sagittal. The atlas uses a series of adjacent sections stained for neurons and for a number of chemical marker substances, particularly parvalbumin and calbindin. All the borders defined in one plane have been cross-checked against their counterparts in the other two planes. The entire dataset will be made available as a web-based interactive application through the Rodent Brain WorkBench (http://www.rbwb.org) which, together with this paper, provides a unique atlas resource. © 2014 Wiley Periodicals, Inc.

FRIEDA: Flexible Robust Intelligent Elastic Data Management Framework

DOE PAGES

Ghoshal, Devarshi; Hendrix, Valerie; Fox, William; ...

2017-02-01

Scientific applications are increasingly using cloud resources for their data analysis workflows. However, managing data effectively and efficiently over these cloud resources is challenging due to the myriad storage choices with different performance, cost trade-offs, complex application choices and complexity associated with elasticity, failure rates in these environments. The different data access patterns for data-intensive scientific applications require a more flexible and robust data management solution than the ones currently in existence. FRIEDA is a Flexible Robust Intelligent Elastic Data Management framework that employs a range of data management strategies in cloud environments. FRIEDA can manage storage and data lifecyclemore » of applications in cloud environments. There are four different stages in the data management lifecycle of FRIEDA – (i) storage planning, (ii) provisioning and preparation, (iii) data placement, and (iv) execution. FRIEDA defines a data control plane and an execution plane. The data control plane defines the data partition and distribution strategy, whereas the execution plane manages the execution of the application using a master-worker paradigm. FRIEDA also provides different data management strategies, either to partition the data in real-time, or predetermine the data partitions prior to application execution.« less

FRIEDA: Flexible Robust Intelligent Elastic Data Management Framework

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ghoshal, Devarshi; Hendrix, Valerie; Fox, William

Scientific applications are increasingly using cloud resources for their data analysis workflows. However, managing data effectively and efficiently over these cloud resources is challenging due to the myriad storage choices with different performance, cost trade-offs, complex application choices and complexity associated with elasticity, failure rates in these environments. The different data access patterns for data-intensive scientific applications require a more flexible and robust data management solution than the ones currently in existence. FRIEDA is a Flexible Robust Intelligent Elastic Data Management framework that employs a range of data management strategies in cloud environments. FRIEDA can manage storage and data lifecyclemore » of applications in cloud environments. There are four different stages in the data management lifecycle of FRIEDA – (i) storage planning, (ii) provisioning and preparation, (iii) data placement, and (iv) execution. FRIEDA defines a data control plane and an execution plane. The data control plane defines the data partition and distribution strategy, whereas the execution plane manages the execution of the application using a master-worker paradigm. FRIEDA also provides different data management strategies, either to partition the data in real-time, or predetermine the data partitions prior to application execution.« less

Molecular dynamics simulations of cesium adsorption on illite nanoparticles.

PubMed

Lammers, Laura N; Bourg, Ian C; Okumura, Masahiko; Kolluri, Kedarnath; Sposito, Garrison; Machida, Masahiko

2017-03-15

The charged surfaces of micaceous minerals, especially illite, regulate the mobility of the major radioisotopes of Cs ( 134 Cs, 135 Cs, 137 Cs) in the geosphere. Despite the long history of Cs adsorption studies, the nature of the illite surface sites remains incompletely understood. To address this problem, we present atomistic simulations of Cs competition with Na for three candidate illite adsorption sites - edge, basal plane, and interlayer. Our simulation results are broadly consistent with affinities and selectivities that have been inferred from surface complexation models. Cation exchange on the basal planes is thermodynamically ideal, but exchange on edge surfaces and within interlayers shows complex, thermodynamically non-ideal behavior. The basal planes are weakly Cs-selective, while edges and interlayers have much higher affinity for Cs. The dynamics of NaCs exchange are rapid for both cations on the basal planes, but considerably slower for Cs localized on edge surfaces. In addition to new insights into Cs adsorption and exchange with Na on illite, we report the development of a methodology capable of simulating fully-flexible clay mineral nanoparticles with stable edge surfaces using a well-tested interatomic potential model. Copyright © 2016 Elsevier Inc. All rights reserved.

Signatures of in-plane and out-of-plane magnetization generated by synchrotron radiation in magnetically doped and pristine topological insulators

NASA Astrophysics Data System (ADS)

Shikin, A. M.; Rybkina, A. A.; Estyunin, D. A.; Sostina, D. M.; Voroshnin, V. Yu.; Klimovskikh, I. I.; Rybkin, A. G.; Surnin, Yu. A.; Kokh, K. A.; Tereshchenko, O. E.; Petaccia, L.; Di Santo, G.; Skirdkov, P. N.; Zvezdin, K. A.; Zvezdin, A. K.; Kimura, A.; Chulkov, E. V.; Krasovskii, E. E.

2018-06-01

Possibility of in-plane and out-of-plane magnetization generated by synchrotron radiation (SR) in magnetically doped and pristine topological insulators (TIs) is demonstrated and studied by angle-resolved photoemission spectroscopy. We show experimentally and by ab initio calculations how nonequal depopulation of the Dirac cone (DC) states with opposite momenta in V-doped and pristine TIs generated by linearly polarized SR leads to the hole-generated uncompensated spin accumulation followed by the SR-induced magnetization via spin-torque effect. Moreover, the photoexcitation of the DC is asymmetric, and it varies with the photon energy. We find a relation between the photoexcitation asymmetry, the generated spin accumulation, and the induced in-plane and out-of-plane magnetic field. Experimentally the SR-generated in-plane and out-of-plane magnetization is confirmed by the k∥ shift of the DC position and by the gap opening at the Dirac point even above the Curie temperature. Theoretical predictions and estimations of the measurable physical quantities substantiate the experimental results.

Mechanical design and performance evaluation for plane grating monochromator in a soft X-ray microscopy beamline at SSRF.

PubMed

Gong, Xuepeng; Lu, Qipeng

2015-01-01

A new monochromator is designed to develop a high performance soft X-ray microscopy beamline at Shanghai Synchrotron Radiation Facility (SSRF). But owing to its high resolving power and high accurate spectrum output, there exist many technical difficulties. In the paper presented, as two primary design targets for the monochromator, theoretical energy resolution and photon flux of the beamline are calculated. For wavelength scanning mechanism, primary factors affecting the rotary angle errors are presented, and the measuring results are 0.15'' and 0.17'' for plane mirror and plane grating, which means that it is possible to provide sufficient scanning precision to specific wavelength. For plane grating switching mechanism, the repeatabilities of roll, yaw and pitch angles are 0.08'', 0.12'' and 0.05'', which can guarantee the high accurate switch of the plane grating effectively. After debugging, the repeatability of light spot drift reaches to 0.7'', which further improves the performance of the monochromator. The commissioning results show that the energy resolving power is higher than 10000 at Ar L-edge, the photon flux is higher than 1 × 108 photons/sec/200 mA, and the spatial resolution is better than 30 nm, demonstrating that the monochromator performs very well and reaches theoretical predictions.

3D-Printed Detector Band for Magnetic Off-Plane Flux Measurements in Laminated Machine Cores

PubMed Central

Pfützner, Helmut; Palkovits, Martin; Windischhofer, Andreas; Giefing, Markus

2017-01-01

Laminated soft magnetic cores of transformers, rotating machines etc. may exhibit complex 3D flux distributions with pronounced normal fluxes (off-plane fluxes), perpendicular to the plane of magnetization. As recent research activities have shown, detections of off-plane fluxes tend to be essential for the optimization of core performances aiming at a reduction of core losses and of audible noise. Conventional sensors for off-plane flux measurements tend to be either of high thickness, influencing the measured fluxes significantly, or require laborious preparations. In the current work, thin novel detector bands for effective and simple off-plane flux detections in laminated machine cores were manufactured. They are printed in an automatic way by an in-house developed 3D/2D assembler. The latter enables a unique combination of conductive and non-conductive materials. The detector bands were effectively tested in the interior of a two-package, three-phase model transformer core. They proved to be mechanically resilient, even for strong clamping of the core. PMID:29257063

3D-Printed Detector Band for Magnetic Off-Plane Flux Measurements in Laminated Machine Cores.

PubMed

Shilyashki, Georgi; Pfützner, Helmut; Palkovits, Martin; Windischhofer, Andreas; Giefing, Markus

2017-12-19

Laminated soft magnetic cores of transformers, rotating machines etc. may exhibit complex 3D flux distributions with pronounced normal fluxes (off-plane fluxes), perpendicular to the plane of magnetization. As recent research activities have shown, detections of off-plane fluxes tend to be essential for the optimization of core performances aiming at a reduction of core losses and of audible noise. Conventional sensors for off-plane flux measurements tend to be either of high thickness, influencing the measured fluxes significantly, or require laborious preparations. In the current work, thin novel detector bands for effective and simple off-plane flux detections in laminated machine cores were manufactured. They are printed in an automatic way by an in-house developed 3D/2D assembler. The latter enables a unique combination of conductive and non-conductive materials. The detector bands were effectively tested in the interior of a two-package, three-phase model transformer core. They proved to be mechanically resilient, even for strong clamping of the core.

Small scale exact coherent structures at large Reynolds numbers in plane Couette flow

NASA Astrophysics Data System (ADS)

Eckhardt, Bruno; Zammert, Stefan

2018-02-01

The transition to turbulence in plane Couette flow and several other shear flows is connected with saddle node bifurcations in which fully three-dimensional, nonlinear solutions to the Navier-Stokes equation, so-called exact coherent states (ECS), appear. As the Reynolds number increases, the states undergo secondary bifurcations and their time-evolution becomes increasingly more complex. Their spatial complexity, in contrast, remains limited so that these states cannot contribute to the spatial complexity and cascade to smaller scales expected for higher Reynolds numbers. We here present families of scaling ECS that exist on ever smaller scales as the Reynolds number is increased. We focus in particular on two such families for plane Couette flow, one centered near the midplane and the other close to a wall. We discuss their scaling and localization properties and the bifurcation diagrams. All solutions are localized in the wall-normal direction. In the spanwise and downstream direction, they are either periodic or localized as well. The family of scaling ECS localized near a wall is reminiscent of attached eddies, and indicates how self-similar ECS can contribute to the formation of boundary layer profiles.

Radiation-Induced Transient Effects in Near Infrared Focal Plane Arrays

NASA Technical Reports Server (NTRS)

Reed, Robert A.; Pickel, J.; Marshall, P.; Waczynski, A.; McMurray, R.; Gee, G.; Polidan, E.; Johnson, S.; McKeivey, M.; Ennico, K.;

The pattern space factor and quality factor of cylindrical source antennas

NASA Astrophysics Data System (ADS)

Jarem, John M.

1982-09-01

For the first time the quality factor of cylindrical source antennas is derived by a plane wave expansion. The evanescent energy (and therefore the quality factor) as defined by a plane wave expansion is shown to be different from Collin and Rothschild's [IEEE Trans. Antennas Propagation AP-12, 23 (1964)] quality factor.

MEDOF - MINIMUM EUCLIDEAN DISTANCE OPTIMAL FILTER

NASA Technical Reports Server (NTRS)

Barton, R. S.

1994-01-01

The Minimum Euclidean Distance Optimal Filter program, MEDOF, generates filters for use in optical correlators. The algorithm implemented in MEDOF follows theory put forth by Richard D. Juday of NASA/JSC. This program analytically optimizes filters on arbitrary spatial light modulators such as coupled, binary, full complex, and fractional 2pi phase. MEDOF optimizes these modulators on a number of metrics including: correlation peak intensity at the origin for the centered appearance of the reference image in the input plane, signal to noise ratio including the correlation detector noise as well as the colored additive input noise, peak to correlation energy defined as the fraction of the signal energy passed by the filter that shows up in the correlation spot, and the peak to total energy which is a generalization of PCE that adds the passed colored input noise to the input image's passed energy. The user of MEDOF supplies the functions that describe the following quantities: 1) the reference signal, 2) the realizable complex encodings of both the input and filter SLM, 3) the noise model, possibly colored, as it adds at the reference image and at the correlation detection plane, and 4) the metric to analyze, here taken to be one of the analytical ones like SNR (signal to noise ratio) or PCE (peak to correlation energy) rather than peak to secondary ratio. MEDOF calculates filters for arbitrary modulators and a wide range of metrics as described above. MEDOF examines the statistics of the encoded input image's noise (if SNR or PCE is selected) and the filter SLM's (Spatial Light Modulator) available values. These statistics are used as the basis of a range for searching for the magnitude and phase of k, a pragmatically based complex constant for computing the filter transmittance from the electric field. The filter is produced for the mesh points in those ranges and the value of the metric that results from these points is computed. When the search is concluded, the values of amplitude and phase for the k whose metric was largest, as well as consistency checks, are reported. A finer search can be done in the neighborhood of the optimal k if desired. The filter finally selected is written to disk in terms of drive values, not in terms of the filter's complex transmittance. Optionally, the impulse response of the filter may be created to permit users to examine the response for the features the algorithm deems important to the recognition process under the selected metric, limitations of the filter SLM, etc. MEDOF uses the filter SLM to its greatest potential, therefore filter competence is not compromised for simplicity of computation. MEDOF is written in C-language for Sun series computers running SunOS. With slight modifications, it has been implemented on DEC VAX series computers using the DEC-C v3.30 compiler, although the documentation does not currently support this platform. MEDOF can also be compiled using Borland International Inc.'s Turbo C++ v1.0, but IBM PC memory restrictions greatly reduce the maximum size of the reference images from which the filters can be calculated. MEDOF requires a two dimensional Fast Fourier Transform (2DFFT). One 2DFFT routine which has been used successfully with MEDOF is a routine found in "Numerical Recipes in C: The Art of Scientific Programming," which is available from Cambridge University Press, New Rochelle, NY 10801. The standard distribution medium for MEDOF is a .25 inch streaming magnetic tape cartridge (Sun QIC-24) in UNIX tar format. MEDOF was developed in 1992-1993.

Conformal Collineations of the Ricci and Energy-Momentum Tensors in Static Plane Symmetric Space-Times

NASA Astrophysics Data System (ADS)

Akhtar, S. S.; Hussain, T.; Bokhari, A. H.; Khan, F.

2018-04-01

We provide a complete classification of static plane symmetric space-times according to conformal Ricci collineations (CRCs) and conformal matter collineations (CMCs) in both the degenerate and nondegenerate cases. In the case of a nondegenerate Ricci tensor, we find a general form of the vector field generating CRCs in terms of unknown functions of t and x subject to some integrability conditions. We then solve the integrability conditions in different cases depending upon the nature of the Ricci tensor and conclude that the static plane symmetric space-times have a 7-, 10- or 15-dimensional Lie algebra of CRCs. Moreover, we find that these space-times admit an infinite number of CRCs if the Ricci tensor is degenerate. We use a similar procedure to study CMCs in the case of a degenerate or nondegenerate matter tensor. We obtain the exact form of some static plane symmetric space-time metrics that admit nontrivial CRCs and CMCs. Finally, we present some physical applications of our obtained results by considering a perfect fluid as a source of the energy-momentum tensor.

3D vertical nanostructures for enhanced infrared plasmonics.

PubMed

Malerba, Mario; Alabastri, Alessandro; Miele, Ermanno; Zilio, Pierfrancesco; Patrini, Maddalena; Bajoni, Daniele; Messina, Gabriele C; Dipalo, Michele; Toma, Andrea; Proietti Zaccaria, Remo; De Angelis, Francesco

2015-11-10

The exploitation of surface plasmon polaritons has been mostly limited to the visible and near infrared range, due to the low frequency limit for coherent plasmon excitation and the reduction of confinement on the metal surface for lower energies. In this work we show that 3D--out of plane--nanostructures can considerably increase the intrinsic quality of the optical output, light confinement and electric field enhancement factors, also in the near and mid-infrared. We suggest that the physical principle relies on the combination of far field and near field interactions between neighboring antennas, promoted by the 3D out-of-plane geometry. We first analyze the changes in the optical behavior, which occur when passing from a single on-plane nanostructure to a 3D out-of-plane configuration. Then we show that by arranging the nanostructures in periodic arrays, 3D architectures can provide, in the mid-IR, a much stronger plasmonic response, compared to that achievable with the use of 2D configurations, leading to higher energy harvesting properties and improved Q-factors, with bright perspective up to the terahertz range.

Traveling Wave Modes of a Plane Layered Anelastic Earth

DTIC Science & Technology

2016-05-20

dependent anelastic moduli. The anelastic moduli must be frequency dependent and satisfy the Kramers- Kronig relations to preserve causality. The...the complex, frequency dependent moduli satisfy the Kramers- Kronig relations. Stable, well-behaved numerical algorithms exist for solving the complex

DOE Office of Scientific and Technical Information (OSTI.GOV)

Constantin, M; Sawkey, D; Johnsen, S

Purpose: To validate the physics parameters of a Monte Carlo model for patient plane leakage calculations on the 6MV Unique linac by comparing the simulations against IEC patient plane leakage measurements. The benchmarked model can further be used for shielding design optimization, to predict leakage in the proximity of intended treatment fields, reduce the system weight and cost, and improve components reliability. Methods: The treatment head geometry of the Unique linac was simulated in Geant4 (v9.4.p02 with “Opt3” standard electromagnetic physics list) based on CAD drawings of all collimation and shielding components projected from the target to the area withinmore » 2m from isocenter. A 4×4m2 scorer was inserted 1m from the target in the patient plane and multiple phase space files were recorded by performing a 40-node computing cluster simulation on the EC2 cloud. The photon energy fluence was calculated relative to the value at isocenter for a 10×10cm2 field using 10×10mm2 bins. Tungsten blocks were parked accordingly to represent MLC120. The secondary particle contamination to patient plane was eliminated by “killing” those particles prior to the primary collimator entrance using a “kill-plane”, which represented the upper head shielding components not being modeled. Both IEC patient-plane leakage and X/Y-jaws transmission were simulated. Results: The contribution of photons to energy fluence was 0.064% on average, in excellent agreement with the experimental data available at 0.5, 1.0, and 1.5m from isocenter, characterized by an average leakage of 0.045% and a maximum leakage of 0.085%. X- and Y-jaws transmissions of 0.43% and 0.44% were found in good agreement with measurements of 0.48% and 0.43%, respectively. Conclusion: A Geant4 model based on energy fluence calculations for the 6MV Unique linac was created and validated using IEC patient plane leakage measurements. The “kill-plane” has effectively eliminated electron contamination to patient plane in these simulations.« less

Modeling particle injections during magnetospheric substorm by a propagating earthward electromagnetic pulse.

NASA Astrophysics Data System (ADS)

Kalugin, G. A.; Kabin, K.; Donovan, E.; Spanswick, E.

2016-12-01

During substorm expansion phase the electrons and ions with energies of up to 100 keV appear in the near-Earth magnetotail. Often, this increase occurs simultaneously for a broad range of particle energies; such events are called dispersionless injections (DIs). Explanations of DIs usually relay on some form of an earthward propagating electromagnetic pulse, which is capable of effectively energizing an initial distribution of electrons and ions. Most of the previous models of such pulses were developed for the equatorial plane only. We propose a new model of an electromagnetic pulse which is two-dimensional in the meridional plane. Electric and magnetic fields in the pulse are calculated self-consistently and satisfy Maxwell's equations. We use realistic time-independent stretched magnetic field as the background. Our model has several adjustable parameters, such as the speed of the pulse propagation, its amplitude and spatial extent, which makes it versatile enough to investigate effects of the pulse characteristics on the particle energization. We present and discuss several examples of particle energization in our model and find that in some cases the energies of the seed electrons can increase by a factor of 10 or more. Two-dimensional nature of our model allows us to visualize the motion of the field lines in the meridional plane associated with the travelling electromagnetic pulse and to calculate the ionospheric footprints of the particle dynamics in the equatorial plane.

Growth of biaxially textured template layers using ion beam assisted deposition

NASA Astrophysics Data System (ADS)

Park, Seh-Jin

A two-step IBAD (ion beam assisted deposition) method is investigated, and compared to the conventional IBAD methods. The two step method uses surface energy anisotropy to achieve uniaxial texture and ion beam irradiation for biaxial texture. The biaxial texture was achieved by selective surface etching and enhanced by grain overgrowth. In this method, biaxial texture alignment is performed on a (001) uniaxially textured buffer layer. The material selected for achieving uniaxial texture, YBCO (YBa2Cu3O7-x), has strong surface energy anisotropy. YBCO is chemically susceptible to the reaction with the adjacent layer. Yttria stabilized zirconia (YSZ) was used to prevent the reaction between YBCO and the substrates (polycrystalline Ni alloy [Hastelloy] and amorphous SiNx/Si). A SrTiO3 layer was deposited on the uniaxially textured YBCO layer to retard stoichiometry change with subsequent processing. STO is well lattice matched with YBCO. A top layer of Ni was then deposited. The Ni layer was used for studying the effect of grain overgrowth. The obtained uniaxial Ni films were used for subsequent ion beam processing. Ar ion beam irradiation onto the uniaxially textured Ni film was used to study the effect of selective grain etching in achieving in-plane aligned Ni grains. Additional Ni deposition induces the overgrowth of the in-plane aligned Ni grains and, finally, the overall in-plane alignment. The in-plane alignment is examined with XRD phi scan. The effect of surface polarity of insulating oxide substrates on the epitaxial growth behavior was investigated. The lattice strain energy was the most important factor for determining the orientation of Ni films on a non-polar surface. However, for a polar surface, the surface energy plays an important role in determining the final orientation of the Ni films based on the experimental and theoretical results. Y2O3 growth behavior was also studied. The lattice strain energy is the most important factor for Y2O3 growth on single crystalline substrates. The surface energy anisotropy is the most important factor for the growth on amorphous substrates. The XRD phi scan study shows that Ar ion beam irradiation with favorable angle of incidence enhances the in-plane alignment of Y2O3 films grown on randomly oriented substrates due to the ion channeling.

The symmetry of man.

PubMed

Ermolenko, Alexander E; Perepada, Elena A

2007-01-01

The paper contains a description of basic regularities in the manifestation of symmetry of human structural organization and its ontogenetic and phylogenetic development. A concept of macrobiocrystalloid with inherent complex symmetry is proposed for the description of the human organism in its integrity. The symmetry can be characterized as two-plane radial (quadrilateral), where the planar symmetry is predominant while the layout of organs of radial symmetry is subordinated to it. Out of the two planes of symmetry (sagittal and horizontal), the sagittal plane is predominant. The symmetry of the chromosome, of the embrio at the early stages of cell cleavage as well as of some organs and systems in their phylogenetic development is described. An hypothesis is postulated that the two-plane symmetry is formed by two mechanisms: a) the impact of morphogenetic fields of the whole crystalloid organism during embriogenesis and, b) genetic mechanisms of the development of chromosomes having two-plane symmetry.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hannachi, Amira, E-mail: amira.hannachi88@gmail.com; Maghraoui-Meherzi, Hager

Manganese sulfide thin films have been deposited on glass slides by chemical bath deposition (CBD) method. The effects of preparative parameters such as deposition time, bath temperature, concentration of precursors, multi-layer deposition, different source of manganese, different complexing agent and thermal annealing on structural and morphological film properties have been investigated. The prepared thin films have been characterized using the X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive X-ray analysis (EDX). It exhibit the metastable forms of MnS, the hexagonal γ-MnS wurtzite phase with preferential orientation in the (002) plane or the cubic β-MnS zinc blende with preferentialmore » orientation in the (200) plane. Microstructural studies revealed the formation of MnS crystals with different morphologies, such as hexagons, spheres, cubes or flowers like. - Graphical Abstract: We report the preparation of different phases of manganese sulfide thin films (γ, β and α-MnS) by chemical bath deposition method. The effects of deposition parameters such as deposition time and temperature, concentrations of precursors and multi-layer deposition on MnS thin films structure and morphology were investigated. The influence of thermal annealing under nitrogen atmosphere at different temperature on MnS properties was also studied. Different manganese precursors as well as different complexing agent were also used. - Highlights: • γ and β-MnS films were deposited on substrate using the chemical bath deposition. • The effect of deposition parameters on MnS film properties has been investigated. • Multi-layer deposition was also studied to increase film thickness. • The effect of annealing under N{sub 2} at different temperature was investigated.« less

A New Energy Ordering and the Dipole Moment of Gas Phase Glycine via Plane-Wave Density Functional Theory Calculations

NASA Astrophysics Data System (ADS)

Min, Byeong June

2018-03-01

The abundance of glycine (Gly), the simplest amino acid, in meteorites leads us to the next question about its extraterrestrial origin. However, astronomers have not yet found glycine signature in interstellar medium. Laboratory microwave spectroscopy experiments report the most stable Gly conformer has a dipole moment of 4.5 - 5.45 Debye. Theoretical calculations, so far performed only with Gaussian basis functions, has predicted a dipole moment of about 1 Debye. This discrepancy has baffled astronomers. We study the energetics of glycine and its isomers and conformers via plane-wave density functional theory calculations. The geometric structures of the isomers and their conformers are identified, along with their relative stability and their dipole moment. In the case of glycine, we obtain the most stable conformer with a dipole moment of 5.76 Debye, close to the microwave spectroscopy experiments. If the plane wave energy cutoff is reduced to a lower value ( 400 eV) on purpose, the energy ordering reverses to the case with Gaussian basis calculations.

Effects of the computational domain on the secondary flow in turbulent plane Couette flow

NASA Astrophysics Data System (ADS)

Gai, Jie; Xia, Zhen-Hua; Cai, Qing-Dong

2015-10-01

A series of direct numerical simulations of the fully developed plane Couette flow at a Reynolds number of 6000 (based on the relative wall speed and half the channel height h) with different streamwise and spanwise lengths are conducted to investigate the effects of the computational box sizes on the secondary flow (SF). Our focuses are the number of counter-rotating vortex pairs and its relationship to the statistics of the mean flow and the SF in the small and moderate computational box sizes. Our results show that the number of vortex pairs is sensitive to the computational box size, and so are the slope parameter, the rate of the turbulent kinetic energy contributed by the SF, and the ratio of the kinetic energy of the SF to the total kinetic energy. However, the averaged spanwise width of each counter-rotating vortex pair in the plane Couette flow is found, for the first time, within 4(1 ± 0.25)h despite the domain sizes. Project supported by the National Natural Science Foundation of China (Grant Nos. 11221061, 11272013, and 11302006).

Graphene-based in-plane micro-supercapacitors with high power and energy densities

PubMed Central

Wu, Zhong–Shuai; Parvez, Khaled; Feng, Xinliang; Müllen, Klaus

2013-01-01

Micro-supercapacitors are important on-chip micro-power sources for miniaturized electronic devices. Although the performance of micro-supercapacitors has been significantly advanced by fabricating nanostructured materials, developing thin-film manufacture technologies and device architectures, their power or energy densities remain far from those of electrolytic capacitors or lithium thin-film batteries. Here we demonstrate graphene-based in-plane interdigital micro-supercapacitors on arbitrary substrates. The resulting micro-supercapacitors deliver an area capacitance of 80.7 μF cm−2 and a stack capacitance of 17.9 F cm−3. Further, they show a power density of 495 W cm−3 that is higher than electrolytic capacitors, and an energy density of 2.5 mWh cm−3 that is comparable to lithium thin-film batteries, in association with superior cycling stability. Such microdevices allow for operations at ultrahigh rate up to 1,000 V s−1, three orders of magnitude higher than that of conventional supercapacitors. Micro-supercapacitors with an in-plane geometry have great promise for numerous miniaturized or flexible electronic applications. PMID:24042088

Graphene-based in-plane micro-supercapacitors with high power and energy densities.

PubMed

Wu, Zhong-Shuai; Parvez, Khaled; Feng, Xinliang; Müllen, Klaus

2013-01-01

Micro-supercapacitors are important on-chip micro-power sources for miniaturized electronic devices. Although the performance of micro-supercapacitors has been significantly advanced by fabricating nanostructured materials, developing thin-film manufacture technologies and device architectures, their power or energy densities remain far from those of electrolytic capacitors or lithium thin-film batteries. Here we demonstrate graphene-based in-plane interdigital micro-supercapacitors on arbitrary substrates. The resulting micro-supercapacitors deliver an area capacitance of 80.7 μF cm⁻² and a stack capacitance of 17.9 F cm⁻³. Further, they show a power density of 495 W cm⁻³ that is higher than electrolytic capacitors, and an energy density of 2.5 mWh cm⁻³ that is comparable to lithium thin-film batteries, in association with superior cycling stability. Such microdevices allow for operations at ultrahigh rate up to 1,000 V s⁻¹, three orders of magnitude higher than that of conventional supercapacitors. Micro-supercapacitors with an in-plane geometry have great promise for numerous miniaturized or flexible electronic applications.

Analysis of electrical-field-dependent Dzyaloshinskii-Moriya interaction and magnetocrystalline anisotropy in a two-dimensional ferromagnetic monolayer

NASA Astrophysics Data System (ADS)

Liu, Jie; Shi, Mengchao; Lu, Jiwu; Anantram, M. P.

2018-02-01

We analyze the impacts of the electric field on the Dzyaloshinskii-Moriya interaction, magnetocrystalline anisotropy, and intrinsic ferromagnetism of the recently discovered two-dimensional ferromagnetic chromium tri-iodide (Cr I3 ) monolayer, by combining density functional theory and Monte Carlo simulations. By taking advantage of the counterbalancing effects of anisotropic symmetric exchange energy and antisymmetric exchange energy, it is shown that the intrinsic ferromagnetism can be manipulated by externally applied off-plane electric fields. The results quantitatively reveal the impacts of off-plane electric field on the lattice structure, magnetic anisotropy energy, symmetric and antisymmetric exchange energies, Curie temperature, magnetic hysteresis, and coercive field. The physical mechanism of all-electrical control of magnetism proposed here is useful for creating next-generation magnetic device technologies based on the recently discovered two-dimensional ferromagnetic crystals.

Event plane dependence of the flow modulated background in dihadron and jet-hadron correlations in heavy ion collisions

NASA Astrophysics Data System (ADS)

Nattrass, Christine; Todoroki, Takahito

2018-05-01

Dihadron and jet-hadron correlationsare commonly used in relativistic heavy ion collisions to study the soft component of jets in a quark gluon plasma. There is a large correlated background which is described by the Fourier decomposition of the azimuthal anisotropy where vn is the n th order coefficient. The path length dependence of partonic energy loss can be studied by varying the angle of the high momentum trigger particle or jet relative to a reconstructed event plane. This modifies the shape of the background correlated with that event plane. The original derivation of the shape of this background only considered correlations relative to the second-order event plane, which is correlated to the initial participant plane. We derive the shape of this background for an event plane at an arbitrary order. There is a phase shift in the case of jets restricted to asymmetric regions relative to the event plane. For realistic correlations between event planes, the correlation between the second- and fourth-order event planes leads to a much smaller effect than the finite event plane resolution at each order. Finally, we assess the status of the rapidity even v1 term due to flow, which has been measured to be comparable to v2 and v3 terms.

Enhanced backscattering through a deep random phase screen

NASA Astrophysics Data System (ADS)

Jakeman, E.

1988-10-01

The statistical properties of radiation scattered by a system consisting of a plane mirror placed in the Fresnel region behind a smoothly varying deep random-phase screen with off-axis beam illumination are studied. It is found that two mechanisms cause enhanced scattering around the backward direction, according to the mirror position with respect to the focusing plane of the screen. In all of the plane mirror geometries considered, the scattered field remains a complex Gaussian process with a spatial coherence function identical to that expected for a single screen, and a speckle size smaller than the width of backscatter enhancement.

Paraxial design of an optical element with variable focal length and fixed position of principal planes.

PubMed

Mikš, Antonín; Novák, Pavel

2018-05-10

In this article, we analyze the problem of the paraxial design of an active optical element with variable focal length, which maintains the positions of its principal planes fixed during the change of its optical power. Such optical elements are important in the process of design of complex optical systems (e.g., zoom systems), where the fixed position of principal planes during the change of optical power is essential for the design process. The proposed solution is based on the generalized membrane tunable-focus fluidic lens with several membrane surfaces.

Sibling Curves 3: Imaginary Siblings and Tracing Complex Roots

ERIC Educational Resources Information Center

Harding, Ansie; Engelbrecht, Johann

2009-01-01

Visualizing complex roots of a quadratic equation has been a quest since the inception of the Argand plane in the 1800s. Many algebraic and numerical methods exist for calculating complex roots of an equation, but few visual methods exist. Following on from papers by Harding and Engelbrecht (A. Harding and J. Engelbrecht, "Sibling curves and…

Effects of higher order aberrations on beam shape in an optical recording system

NASA Technical Reports Server (NTRS)

Wang, Mark S.; Milster, Tom D.

1992-01-01

An unexpected irradiance pattern in the detector plane of an optical data storage system was observed. Through wavefront measurement and scalar diffraction modeling, it was discovered that the energy redistribution is due to residual third-order and fifth-order spherical aberration of the objective lens and cover-plate assembly. The amount of residual aberration is small, and the beam focused on the disk would be considered diffraction limited by several criteria. Since the detector is not in the focal plane, even this small amount of aberration has a significant effect on the energy distribution. We show that the energy redistribution can adversely affect focus error signals, which are responsible for maintaining sub-micron spot diameters on the spinning disk.

Two Polymorphic Forms of a Six-Coordinate Mononuclear Cobalt(II) Complex with Easy-Plane Anisotropy: Structural Features, Theoretical Calculations, and Field-Induced Slow Relaxation of the Magnetization.

PubMed

Roy, Subhadip; Oyarzabal, Itziar; Vallejo, Julia; Cano, Joan; Colacio, Enrique; Bauza, Antonio; Frontera, Antonio; Kirillov, Alexander M; Drew, Michael G B; Das, Subrata

2016-09-06

A mononuclear cobalt(II) complex [Co(3,5-dnb)2(py)2(H2O)2] {3,5-Hdnb = 3,5-dinitrobenzoic acid; py = pyridine} was isolated in two polymorphs, in space groups C2/c (1) and P21/c (2). Single-crystal X-ray diffraction analyses reveal that 1 and 2 are not isostructural in spite of having equal formulas and ligand connectivity. In both structures, the Co(II) centers adopt octahedral {CoN2O4} geometries filled by pairs of mutually trans terminal 3,5-dnb, py, and water ligands. However, the structures of 1 and 2 disclose distinct packing patterns driven by strong intermolecular O-H···O hydrogen bonds, leading to their 0D→2D (1) or 0D→1D (2) extension. The resulting two-dimensional layers and one-dimensional chains were topologically classified as the sql and 2C1 underlying nets, respectively. By means of DFT theoretical calculations, the energy variations between the polymorphs were estimated, and the binding energies associated with the noncovalent interactions observed in the crystal structures were also evaluated. The study of the direct-current magnetic properties, as well as ab initio calculations, reveal that both 1 and 2 present a strong easy-plane magnetic anisotropy (D > 0), which is larger for the latter polymorph (D is found to exhibit values between +58 and 117 cm(-1) depending on the method). Alternating current dynamic susceptibility measurements show that these polymorphs exhibit field-induced slow relaxation of the magnetization with Ueff values of 19.5 and 21.1 cm(-1) for 1 and 2, respectively. The analysis of the whole magnetic data allows the conclusion that the magnetization relaxation in these polymorphs mainly takes place through a virtual excited state (Raman process). It is worth noting that despite the notable difference between the supramolecular networks of 1 and 2, they exhibit almost identical magnetization dynamics. This fact suggests that the relaxation process is intramolecular in nature and that the virtual state involved in the two-phonon Raman process lies at a similar energy in polymorphs 1 and 2 (∼20 cm(-1)). Interestingly, this value is recurrent in Co(II) single-ion magnets, even for those displaying different coordination number and geometry.

The binding energies of one and two water molecules to the first transition-row metal positive ions. II

NASA Technical Reports Server (NTRS)

Rosi, Marzio; Bauschlicher, Charles W., Jr.

1990-01-01

The present investigation of H2O's binding energy to transition-metal ions proceeds from the D(2h) structure and bends the two water molecules out of plane. The molecule is constrained to have C(2v) symmetry, so that each water molecule and metal ion lies on a plane. The ground states are bent only for Mn(H2O)2(+) and Zn(H2O)2(+), where only 4s4p hybridization is energetically favorable; 4s4p hybridization reduces repulsion.

New Agegraphic Pilgrim Dark Energy in f(T, TG) Gravity

NASA Astrophysics Data System (ADS)

Jawad, Abdul; Debnath, Ujjal

2015-08-01

In this work, we briefly discuss a novel class of modified gravity like f(T, TG) gravity. In this background, we assume the new agegraphic version of pilgrim dark energy and reconstruct f(T, TG) models for two specific values of s. We also discuss the equation of state parameter, squared speed of sound and wDE-w‧DE plane for these reconstructed f(T, TG) models. The equation of state parameter provides phantom-like behavior of the universe. The wDE-w‧DE plane also corresponds to ΛCDM limit, thawing and freezing regions for both models.

Pseudopotential plane-wave calculation of the structural properties of yttrium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Y.; Chou, M.Y.

1991-11-01

The structural properties of hexagonal-close-packed yttrium are studied by using the plane-wave basis within the pseudopotential method and local-density-functional approximation. By employing a soft'' pseudopotential proposed by Troullier and Martins, satisfactory convergence is achieved with a plane-wave energy cutoff of 30--40 Ry for this early-transition-metal element. The overall results for the structural properties are in good agreement with experiment. It is found that the charge overlap between core and valence electrons has a substantial effect on the accuracy of the calculated structural properties. Two different calculations are performed with and without the outer-core 4{ital p} orbital included as a valencemore » state. In addition, as found in some other local-density calculations, the uncertainty in the results due to different exchange-correlation energy functionals may not be negligible in transition metals.« less

Soliton-like defects in nematic liquid crystal thin layers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chuvyrov, A. N.; Krekhov, A. P.; Lebedev, Yu. A., E-mail: lebedev@anrb.ru

The nonsingular soliton-like defects in plane nematic liquid crystal (NLC) layers and spherical NLC drops are experimentally detected and studied when the interaction of NLC molecules with a bounding surface is varied. The dynamics and the annihilation of nonsingular defects of opposite signs on a plane surface are investigated. Periodic transformations of the soliton-like defects in NLC drops in an electric field are detected. The theory of elasticity is used to show that the surface energy taken into account in the total free energy of NLC in the case of weak anchoring leads to the possibility of nonsingular solutions ofmore » a director equilibrium equation. The calculated pictures of director distribution in a plane NLC layer and in a spherical NLC drop characterized by weak surface anchoring agree well with the results of polarized light optical observations.« less

Electronic and spin structure of the wide-band-gap topological insulator: Nearly stoichiometric Bi2Te2S

NASA Astrophysics Data System (ADS)

Annese, E.; Okuda, T.; Schwier, E. F.; Iwasawa, H.; Shimada, K.; Natamane, M.; Taniguchi, M.; Rusinov, I. P.; Eremeev, S. V.; Kokh, K. A.; Golyashov, V. A.; Tereshchenko, O. E.; Chulkov, E. V.; Kimura, A.

2018-05-01

We have grown the phase-homogeneous ternary compound with composition Bi2Te1.85S1.15 very close to the stoichiometric Bi2Te2S . The measurements performed with spin- and angle-resolved photoelectron spectroscopy as well as density functional theory and G W calculations revealed a wide-band-gap three-dimensional topological insulator phase. The surface electronic spectrum is characterized by the topological surface state (TSS) with Dirac point located above the valence band and Fermi level lying in the band gap. TSS band dispersion and constant energy contour manifest a weak warping effect near the Fermi level along with in-plane and out-of-plane spin polarization along the Γ ¯-K ¯ line. We identified four additional states at deeper binding energies with high in-plane spin polarization.

Topological superconductivity and the fractional Josephson effect in quasi-one dimensional wires on a plane

NASA Astrophysics Data System (ADS)

Nakhmedov, E.; Mammadova, S.; Alekperov, O.

2016-01-01

A time-reversal invariant topological superconductivity is suggested to be realized in a quasi-one-dimensional structure on a plane, which is fabricated by filling the superconducting materials into the periodic channel of dielectric matrices like zeolite and asbestos under high pressure. The topological superconducting phase sets up in the presence of large spin-orbit interactions when intra-wire s-wave and inter-wire d-wave pairings take place. Kramers pairs of Majorana bound states emerge at the edges of each wire. We analyze effects of the Zeeman magnetic field on Majorana zero-energy states. In-plane magnetic field was shown to make asymmetric the energy dispersion, nevertheless Majorana fermions survive due to protection of a particle-hole symmetry. Tunneling of Majorana quasiparticle from the end of one wire to the nearest-neighboring one yields edge fractional Josephson current with 4π-periodicity.

Measuring grain boundary character distributions in Ni-base alloy 725 using high-energy diffraction microscopy

DOE PAGES

Bagri, Akbar; Hanson, John P.; Lind, J. P.; ...

2016-10-25

We use high-energy X-ray diffraction microscopy (HEDM) to characterize the microstructure of Ni-base alloy 725. HEDM is a non-destructive technique capable of providing three-dimensional reconstructions of grain shapes and orientations in polycrystals. The present analysis yields the grain size distribution in alloy 725 as well as the grain boundary character distribution (GBCD) as a function of lattice misorientation and boundary plane normal orientation. We find that the GBCD of Ni-base alloy 725 is similar to that previously determined in pure Ni and other fcc-base metals. We find an elevated density of Σ9 and Σ3 grain boundaries. We also observe amore » preponderance of grain boundaries along low-index planes, with those along (1 1 1) planes being the most common, even after Σ3 twins have been excluded from the analysis.« less

Facile design and synthesis of Li-rich nanoplates cathodes with habit-tuned crystal for lithium ion batteries

NASA Astrophysics Data System (ADS)

Li, Jili; Jia, Tiekun; Liu, Kai; Zhao, Junwei; Chen, Jian; Cao, Chuanbao

2016-11-01

Li-ion batteries with high-energy and high-power density are pursued to apply in the electronic vehicles and renewable energy storage systems. In this work, layered Li-rich transition-metal oxide cathode Li1.2Ni0.2Mn0.6O2 nanoplates with enhanced growth of {010} planes (LNMO-NP) is successfully synthesized through a facile and versatile strategy. Ethylene glycol plays an important role in the formation of LNMO-NP nanoplates with {010} electrochemically active surface planes exposure. As cathode for Li-ion batteries, LNMO-NP demonstrates a high specific discharge capacity of 270.2 mAh g-1 at 0.1 C (1 C = 300 mA g-1) and an excellent rate capability. The good electrochemical performance can be attributed to the nanoplates with the growth of {010} electrochemically active planes which is in favor of Li+ intercalation/deintercalation.

Stretchable spiral thin-film battery capable of out-of-plane deformation

NASA Astrophysics Data System (ADS)

Kammoun, Mejdi; Berg, Sean; Ardebili, Haleh

2016-11-01

There is a compelling need for innovative design concepts in energy storage devices such as flexible and stretchable batteries that can simultaneously provide electrochemical and mechanical functions to accommodate nonconventional applications including wearable and implantable devices. In this study, we report on the design and fabrication of a stretchable spiral thin-film lithium ion battery that is capable of large out-of-plane deformation of 1300% while exhibiting simultaneous electrochemical functionality. The spiral battery is fabricated using a flexible solid polymer nanocomposite electrolyte film that offers enhanced safety and stability compared to the conventional organic liquid-based electrolyte. The spiral lithium ion battery exhibits robust mechanical stretchability over 9000 stretching cycles and an energy density of 4.862 mWh/cm3 at ∼650% out-of-plane deformation. Finite element analysis of the spiral battery offers insights about the nature of stresses and strains during battery stretching.

Quantum scattering beyond the plane-wave approximation

NASA Astrophysics Data System (ADS)

Karlovets, Dmitry

2017-12-01

While a plane-wave approximation in high-energy physics works well in a majority of practical cases, it becomes inapplicable for scattering of the vortex particles carrying orbital angular momentum, of Airy beams, of the so-called Schrödinger cat states, and their generalizations. Such quantum states of photons, electrons and neutrons have been generated experimentally in recent years, opening up new perspectives in quantum optics, electron microscopy, particle physics, and so forth. Here we discuss the non-plane-wave effects in scattering brought about by the novel quantum numbers of these wave packets. For the well-focused electrons of intermediate energies, already available at electron microscopes, the corresponding contribution can surpass that of the radiative corrections. Moreover, collisions of the cat-like superpositions of such focused beams with atoms allow one to probe effects of the quantum interference, which have never played any role in particle scattering.

Photodetectors for the Advanced Gamma-ray Imaging System (AGIS)

NASA Astrophysics Data System (ADS)

Wagner, Robert G.; Advanced Gamma-ray Imaging System AGIS Collaboration

2010-03-01

The Advanced Gamma-Ray Imaging System (AGIS) is a concept for the next generation very high energy gamma-ray observatory. Design goals include an order of magnitude better sensitivity, better angular resolution, and a lower energy threshold than existing Cherenkov telescopes. Each telescope is equipped with a camera that detects and records the Cherenkov-light flashes from air showers. The camera is comprised of a pixelated focal plane of blue sensitive and fast (nanosecond) photon detectors that detect the photon signal and convert it into an electrical one. Given the scale of AGIS, the camera must be reliable and cost effective. The Schwarzschild-Couder optical design yields a smaller plate scale than present-day Cherenkov telescopes, enabling the use of more compact, multi-pixel devices, including multianode photomultipliers or Geiger avalanche photodiodes. We present the conceptual design of the focal plane for the camera and results from testing candidate! focal plane sensors.

Off-plane polarization ordering in metal chalcogen diphosphates from bulk to monolayer

NASA Astrophysics Data System (ADS)

Song, Wenshen; Fei, Ruixiang; Yang, Li

2017-12-01

Vertically (off-plane) ferroelectric ordering in ultrathin films has been pursued for decades. We predict the existence of intrinsic vertical polarization orderings in ultrathin metal chalcogen-diphosphates (MCDs). Taking CuInP2Se6 as an example, the first-principles calculation and electrostatic-energy model show that, under the open-circuit boundary condition, the ground state of bulk CuInP2Se6 is ferroelectric (FE) while that of monolayer is antiferroelectric (AFE), and the critical thickness for this FE/AFE transition is around six layers. Interestingly, under the closed-circuit boundary condition, the FE state can hold even for monolayer. Particularly, because of the small energy difference but the large barrier between FE and AFE orderings, the FE state can be stabilized in a free-standing monolayer, giving rise to intrinsic, off-plane two-dimensional ferroelectrics. Applying Monte Carlo simulations, we further calculate the ferroelectric Curie temperature (Tc) and electric hysteresis.

Effects of external magnetic field and magnetic anisotropy on chiral spin structures of square nanodisks investigated with a quantum simulation approach

NASA Astrophysics Data System (ADS)

Liu, Zhaosen; Ian, Hou

2016-04-01

We employed a quantum simulation approach to investigate the magnetic properties of monolayer square nanodisks with Dzyaloshinsky-Moriya (DM) interaction. The computational program converged very quickly, and generated chiral spin structures on the disk planes with good symmetry. When the DM interaction is sufficiently strong, multi-domain structures appears, their sizes or average distance between each pair of domains can be approximately described by a modified grid theory. We further found that the external magnetic field and uniaxial magnetic anisotropy both normal to the disk plane lead to reductions of the total free energy and total energy of the nanosystems, thus are able to stabilize and/or induce the vortical structures, however, the chirality of the vortex is still determined by the sign of the DM interaction parameter. Moreover, the geometric shape of the nanodisk affects the spin configuration on the disk plane as well.

Quantum mechanics of a photon

NASA Astrophysics Data System (ADS)

Babaei, Hassan; Mostafazadeh, Ali

2017-08-01

A first-quantized free photon is a complex massless vector field A =(Aμ ) whose field strength satisfies Maxwell's equations in vacuum. We construct the Hilbert space H of the photon by endowing the vector space of the fields A in the temporal-Coulomb gauge with a positive-definite and relativistically invariant inner product. We give an explicit expression for this inner product, identify the Hamiltonian for the photon with the generator of time translations in H , determine the operators representing the momentum and the helicity of the photon, and introduce a chirality operator whose eigenfunctions correspond to fields having a definite sign of energy. We also construct a position operator for the photon whose components commute with each other and with the chirality and helicity operators. This allows for the construction of the localized states of the photon with a definite sign of energy and helicity. We derive an explicit formula for the latter and compute the corresponding electric and magnetic fields. These turn out to diverge not just at the point where the photon is localized but on a plane containing this point. We identify the axis normal to this plane with an associated symmetry axis and show that each choice of this axis specifies a particular position operator, a corresponding position basis, and a position representation of the quantum mechanics of a photon. In particular, we examine the position wave functions determined by such a position basis, elucidate their relationship with the Riemann-Silberstein and Landau-Peierls wave functions, and give an explicit formula for the probability density of the spatial localization of the photon.

Control of Initialized Fractional-Order Systems. Revised

NASA Technical Reports Server (NTRS)

Hartley, Tom T.; Lorenzo, Carl F.

2002-01-01

Due to the importance of historical effects in fractional-order systems, this paper presents a general fractional-order control theory that includes the time-varying initialization response. Previous studies have not properly accounted for these historical effects. The initialization response, along with the forced response, for fractional-order systems is determined. Stability properties of fractional-order systems are presented in the complex w-plane, which is a transformation of the s-plane. Time responses are discussed with respect to pole positions in the complex w-plane and frequency response behavior is included. A fractional-order vector space representation, which is a generalization of the state space concept, is presented including the initialization response. Control methods for vector representations of initialized fractional-order systems are shown. Nyquist, root-locus, and other input-output control methods are adapted to the control of fractional-order systems. Finally, the fractional-order differintegral is generalized to continuous order-distributions that have the possibility of including a continuum of fractional orders in a system element.

Theoretical Investigation of the Electronic Structure of Fe(II) Complexes at Spin-State Transitions

PubMed Central

2013-01-01

The electronic structure relevant to low spin (LS)↔high spin (HS) transitions in Fe(II) coordination compounds with a FeN6 core are studied. The selected [Fe(tz)6]2+ (1) (tz = 1H-tetrazole), [Fe(bipy)3]2+ (2) (bipy = 2,2′-bipyridine), and [Fe(terpy)2]2+ (3) (terpy = 2,2′:6′,2″-terpyridine) complexes have been actively studied experimentally, and with their respective mono-, bi-, and tridentate ligands, they constitute a comprehensive set for theoretical case studies. The methods in this work include density functional theory (DFT), time-dependent DFT (TD-DFT), and multiconfigurational second order perturbation theory (CASPT2). We determine the structural parameters as well as the energy splitting of the LS–HS states (ΔEHL) applying the above methods and comparing their performance. We also determine the potential energy curves representing the ground and low-energy excited singlet, triplet, and quintet d6 states along the mode(s) that connect the LS and HS states. The results indicate that while DFT is well suited for the prediction of structural parameters, an accurate multiconfigurational approach is essential for the quantitative determination of ΔEHL. In addition, a good qualitative agreement is found between the TD-DFT and CASPT2 potential energy curves. Although the TD-DFT results might differ in some respect (in our case, we found a discrepancy at the triplet states), our results suggest that this approach, with due care, is very promising as an alternative for the very expensive CASPT2 method. Finally, the two-dimensional (2D) potential energy surfaces above the plane spanned by the two relevant configuration coordinates in [Fe(terpy)2]2+ were computed at both the DFT and CASPT2 levels. These 2D surfaces indicate that the singlet–triplet and triplet–quintet states are separated along different coordinates, i.e., different vibration modes. Our results confirm that in contrast to the case of complexes with mono- and bidentate ligands, the singlet–quintet transitions in [Fe(terpy)2]2+ cannot be described using a single configuration coordinate. PMID:25821416

Inducing phase transitions of T-like BiFeO3 films by low-energy He implantation

NASA Astrophysics Data System (ADS)

Herklotz, Andreas; Beekman, Christianne; Rus, Stefania Florina; Ivanov, Ilia; Balke, Nina; Ward, Thomas Zac

Ferroelectric phase transitions of BiFeO3 are found to be controllable through the application of single axis, out-of-plane strain. Low-energy He implantation has been deployed to induce out-of-plane strain in T-like BFO films, while the compressive in-plane strain due to the coherent growth on LaAlO3 substrates remains fixed. Our data shows that He implantation triggers a MC -MA - T phase sequence of the T polymorph that is identical to structural changes that are induced with increasing temperature. Mixed phases nanodomains phases are gradually suppressed and disappear above a certain He doping level. Our data shows that the ferroelectric and optical properties of BiFeO3 films critically depend on the He doping level. Thus, the results demonstrates that He implantation can be used as an intriguing approach to study lines in the rich phase space of BFO films that can't be accessed by simple heteroepitaxy. This effort was wholly supported by the US Department of Energy (DOE), Office of Basic Energy Sciences (BES), Materials Sciences and Engineering Division, with user projects supported at ORNL's Center for Nanophase Materials Research (CNMS) which is also sponsored by DOE-BES.

High-frequency envelope inversion analysis of the 2003 Tokachi-Oki, JAPAN, earthquake (Mw8.0)

NASA Astrophysics Data System (ADS)

Nakahara, H.

2004-12-01

The 2003 Tokachi-Oki earthquake (Mw 8.0) took place on September 26, 2003 at the plate interface between the subducting Pacific plate and the Hokkaido island, northern Japan. The focal depth is around 30km and the focal mechanism is thrust type. This earthquake caused 2 missings, more than 100 injures, 2000 collapsed houses, and so on. Slip distribution on the fault plane was already estimated by inversion analyses of low-frequency seismograms. However, source characteristics for the earthquake in frequencies higher than 1 Hz is not so far clarified. In this study, we execute an envelope inversion analysis based on the method by Nakahara et al. (1998) and clarify the spatial distribution of high-frequency seismic energy radiation on the fault plane of this earthquake. We use three-component sum of mean squared velocity seismograms multiplied by a density of earth medium, which is called envelopes here, for the envelope inversion analysis. Three frequency bands of 1-2, 2-4, and 4-8 Hz are adopted. We use envelopes in the time window from the onset of S waves to the lapse time of 128 sec. Green functions of envelopes representing the energy propagation process through a scattering medium are calculated based on the radiative transfer theory, which are characterized by parameters of scattering attenuation and intrinsic absorption. We use the values obtained for eastern Hokkaido (Hoshiba, 1993). We assume the fault plane as follows: strike=249o, dip=15o, rake=130o, length=150km, width=165km with reference to a waveform inversion analysis in low frequencies (e.g. Yagi, 2003). We divide this fault plane into 110 subfaults, each of which is a 15km x 15km square. Rupture velocity is assumed to be constant. Seismic energy is radiated from a point source as soon as the rupture front passes the center of each subfault. Time function of energy radiation is assumed as a box-car function. The amount of seismic energy from all the subfaults and site amplification factors for all the stations are estimated by the envelope inversion method. Rupture velocity and the duration time of a box-car function should be estimated by a grid search. Theoretical envelopes calculated with best-fit parameters generally fit to observed ones. The rupture velocity and duration time were estimated as 3.0 km/s and 6 sec, respectively. The high-frequency seismic energy was found to be radiated mainly from two spots on the fault plane: The first one is the deeper part beneath the initial rupture point and the second is the southern shallow part of the fault plane. Radiated energy was estimated to be 7.2 × 1016J in the 1-8Hz band. Acknowledgements: We used strong-motion seismograms recorded by the K-NET and KiK-net of NIED, JAPAN.

Mechanics of evolving thin film structures

NASA Astrophysics Data System (ADS)

Liang, Jim

In the Stranski-Krastanov system, the lattice mismatch between the film and the substrate causes the film to break into islands. During annealing, both the surface energy and the elastic energy drive the islands to coarsen. Motivated by several related studies, we suggest that stable islands should form when a stiff ceiling is placed at a small gap above the film. We show that the role of elasticity is reversed: with the ceiling, the total elastic energy stored in the system increases as the islands coarsen laterally. Consequently, the islands select an equilibrium size to minimize the combined elastic energy and surface energy. In lithographically-induced self-assembly, when a two-phase fluid confined between parallel substrates is subjected to an electric field, one phase can self-assemble into a triangular lattice of islands in another phase. We describe a theory of the stability of the island lattice. The islands select the equilibrium diameter to minimize the combined interface energy and electrostatic energy. Furthermore, we study compressed SiGe thin film islands fabricated on a glass layer, which itself lies on a silicon wafer. Upon annealing, the glass flows, and the islands relax. A small island relaxes by in-plane expansion. A large island, however, wrinkles at the center before the in-plane relaxation arrives. The wrinkles may cause significant tensile stress in the island, leading to fracture. We model the island by the von Karman plate theory and the glass layer by the Reynolds lubrication theory. Numerical simulations evolve the in-plane expansion and the wrinkles simultaneously. We determine the critical island size, below which in-plane expansion prevails over wrinkling. Finally, in devices that integrate dissimilar materials in small dimensions, crack extension in one material often accompanies inelastic deformation in another. We analyze a channel crack advancing in an elastic film under tension, while an underlayer creeps. We use a two-dimensional shear lag model to approximate the three-dimensional fracture process. Based on the computational results, we propose new experiments to measure fracture toughness and creep laws in small structures. Similarly, we study delayed crack initiation, steady crack growth, and transient crack growth when the underlayer is viscoelastic.

Explicit Computations of Instantons and Large Deviations in Beta-Plane Turbulence

NASA Astrophysics Data System (ADS)

Laurie, J.; Bouchet, F.; Zaboronski, O.

2012-12-01

We use a path integral formalism and instanton theory in order to make explicit analytical predictions about large deviations and rare events in beta-plane turbulence. The path integral formalism is a concise way to get large deviation results in dynamical systems forced by random noise. In the most simple cases, it leads to the same results as the Freidlin-Wentzell theory, but it has a wider range of applicability. This approach is however usually extremely limited, due to the complexity of the theoretical problems. As a consequence it provides explicit results in a fairly limited number of models, often extremely simple ones with only a few degrees of freedom. Few exception exist outside the realm of equilibrium statistical physics. We will show that the barotropic model of beta-plane turbulence is one of these non-equilibrium exceptions. We describe sets of explicit solutions to the instanton equation, and precise derivations of the action functional (or large deviation rate function). The reason why such exact computations are possible is related to the existence of hidden symmetries and conservation laws for the instanton dynamics. We outline several applications of this apporach. For instance, we compute explicitly the very low probability to observe flows with an energy much larger or smaller than the typical one. Moreover, we consider regimes for which the system has multiple attractors (corresponding to different numbers of alternating jets), and discuss the computation of transition probabilities between two such attractors. These extremely rare events are of the utmost importance as the dynamics undergo qualitative macroscopic changes during such transitions.

Effects of volcano topography on seismic broad-band waveforms

NASA Astrophysics Data System (ADS)

Neuberg, Jürgen; Pointer, Tim

2000-10-01

Volcano seismology often deals with rather shallow seismic sources and seismic stations deployed in their near field. The complex stratigraphy on volcanoes and near-field source effects have a strong impact on the seismic wavefield, complicating the interpretation techniques that are usually employed in earthquake seismology. In addition, as most volcanoes have a pronounced topography, the interference of the seismic wavefield with the stress-free surface results in severe waveform perturbations that affect seismic interpretation methods. In this study we deal predominantly with the surface effects, but take into account the impact of a typical volcano stratigraphy as well as near-field source effects. We derive a correction term for plane seismic waves and a plane-free surface such that for smooth topographies the effect of the free surface can be totally removed. Seismo-volcanic sources radiate energy in a broad frequency range with a correspondingly wide range of different Fresnel zones. A 2-D boundary element method is employed to study how the size of the Fresnel zone is dependent on source depth, dominant wavelength and topography in order to estimate the limits of the plane wave approximation. This approximation remains valid if the dominant wavelength does not exceed twice the source depth. Further aspects of this study concern particle motion analysis to locate point sources and the influence of the stratigraphy on particle motions. Furthermore, the deployment strategy of seismic instruments on volcanoes, as well as the direct interpretation of the broad-band waveforms in terms of pressure fluctuations in the volcanic plumbing system, are discussed.

Optical potential from first principles

DOE PAGES

Rotureau, J.; Danielewicz, P.; Hagen, G.; ...

2017-02-15

Here, we develop a method to construct a microscopic optical potential from chiral interactions for nucleon-nucleus scattering. The optical potential is constructed by combining the Green’s function approach with the coupled-cluster method. To deal with the poles of the Green’s function along the real energy axis we employ a Berggren basis in the complex energy plane combined with the Lanczos method. Using this approach, we perform a proof-of-principle calculation of the optical potential for the elastic neutron scattering on 16O. For the computation of the ground-state of 16O, we use the coupled-cluster method in the singles-and-doubles approximation, while for themore » A ±1 nuclei we use particle-attached/removed equation-of-motion method truncated at two-particle-one-hole and one-particle-two-hole excitations, respectively. We verify the convergence of the optical potential and scattering phase shifts with respect to the model-space size and the number of discretized complex continuum states. We also investigate the absorptive component of the optical potential (which reflects the opening of inelastic channels) by computing its imaginary volume integral and find an almost negligible absorptive component at low-energies. To shed light on this result, we computed excited states of 16O using equation-of-motion coupled-cluster method with singles-and- doubles excitations and we found no low-lying excited states below 10 MeV. Furthermore, most excited states have a dominant two-particle-two-hole component, making higher-order particle-hole excitations necessary to achieve a precise description of these core-excited states. We conclude that the reduced absorption at low-energies can be attributed to the lack of correlations coming from the low-order cluster truncation in the employed coupled-cluster method.« less

An ab initio study of the molecular properties of the propyne water hydrogen-bonded complex

NASA Astrophysics Data System (ADS)

Lopes, Kelson C.; Araújo, Regiane C. M. U.; Rusu, Victor H.; Ramos, Mozart N.

2007-05-01

We have employed ab initio MP2 and DFT/B3LYP calculations with the 6-31++G(d,p) basis set to obtain structural, electronic and vibrational properties of the H-bonded complex between propyne and water. This study has revealed that H 2O can doubly complex with propyne forming a quasi five-membered ring. The first complexation occurs through the hydrogen bond between the acid hydrogen of H 2O and the C tbnd C triple bond, whereas the second complexation involves the oxygen atom of H 2O and the in-plane hydrogen atom of the methyl group in propyne. Our calculations have shown that the H-bond lengths between H⋯π and O⋯HC) are 2.419 and 2.707 Å, respectively, employing the DFT/B3LYP calculation whereas the corresponding MP2 values are 2.373 and 2.651 Å. The binding energies including both BSSE and ZPE corrections are -6.16 and -6.72 kJ mol -1, respectively, using the DFT/B3LYP and MP2 calculations. For example, the O-H stretching frequencies of water are decreased by -60 and -29 cm -1 using the DFT/B3LYP calculation, whereas the bending frequency is increased by +15 cm -1. As expected, the infrared intensities for the stretching modes are increased after complexation, especially involving the O-H b bond forming the hydrogen bond with the C tbnd C triple bond.

Complex wavefront sensing with a plenoptic sensor

NASA Astrophysics Data System (ADS)

Wu, Chensheng; Ko, Jonathan; Davis, Christopher C.

2016-09-01

There are many techniques to achieve basic wavefront sensing tasks in the weak atmospheric turbulence regime. However, in strong and deep turbulence situations, the complexity of a propagating wavefront increases significantly. Typically, beam breakup will happen and various portions of the beam will randomly interfere with each other. Consequently, some conventional techniques for wavefront sensing turn out to be inaccurate and misleading. For example, a Shack-Hartmann sensor will be confused by multi-spot/zero-spot result in some cells. The curvature sensor will be affected by random interference patterns for both the image acquired before the focal plane and the image acquired after the focal plane. We propose the use of a plenoptic sensor to solve complex wavefront sensing problems. In fact, our results show that even for multiple beams (their wavelengths can be the same) passing through the same turbulent channel, the plenoptic sensor can reconstruct the turbulence-induced distortion accurately. In this paper, we will demonstrate the plenoptic mapping principle to analyze and reconstruct the complex wavefront of a distorted laser beam.

Pigment organization in the photosynthetic apparatus of Roseiflexus castenholzii.

PubMed

Collins, Aaron M; Xin, Yueyong; Blankenship, Robert E

2009-08-01

The light-harvesting-reaction center (LHRC) complex from the chlorosome-lacking filamentous anoxygenic phototroph (FAP), Roseiflexus castenholzii (R. castenholzii) was purified and characterized for overall pigment organization. The LHRC is a single complex that is comprised of light harvesting (LH) and reaction center (RC) polypeptides as well as an attached c-type cytochrome. The dominant carotenoid found in the LHRC is keto-gamma-carotene, which transfers excitation to the long wavelength antenna band with 35% efficiency. Linear dichroism and fluorescence polarization measurements indicate that the long wavelength antenna pigments absorbing around 880 nm are perpendicular to the membrane plane, with the corresponding Q(y) transition dipoles in the plane of the membrane. The antenna pigments absorbing around 800 nm, as well as the bound carotenoid, are oriented at a large angle with respect to the membrane. The antenna pigments spectroscopically resemble the well-studied LH2 complex from purple bacteria, however the close association with the RC makes the light harvesting component of this complex functionally more like LH1.

Changes in foot and shank coupling due to alterations in foot strike pattern during running.

PubMed

Pohl, Michael B; Buckley, John G

2008-03-01

Determining if and how the kinematic relationship between adjacent body segments changes when an individual's gait pattern is experimentally manipulated can yield insight into the robustness of the kinematic coupling across the associated joint(s). The aim of this study was to assess the effects on the kinematic coupling between the forefoot, rearfoot and shank during ground contact of running with alteration in foot strike pattern. Twelve subjects ran over-ground using three different foot strike patterns (heel strike, forefoot strike, toe running). Kinematic data were collected of the forefoot, rearfoot and shank, which were modelled as rigid segments. Coupling at the ankle-complex and midfoot joints was assessed using cross-correlation and vector coding techniques. In general good coupling was found between rearfoot frontal plane motion and transverse plane shank rotation regardless of foot strike pattern. Forefoot motion was also strongly coupled with rearfoot frontal plane motion. Subtle differences were noted in the amount of rearfoot eversion transferred into shank internal rotation in the first 10-15% of stance during heel strike running compared to forefoot and toe running, and this was accompanied by small alterations in forefoot kinematics. These findings indicate that during ground contact in running there is strong coupling between the rearfoot and shank via the action of the joints in the ankle-complex. In addition, there was good coupling of both sagittal and transverse plane forefoot with rearfoot frontal plane motion via the action of the midfoot joints.

Cu+ association to some Ph-X (X = OH, NH2, CHO, COOH, CF3) phenyl derivatives.: A comparison with Li+ complexes

NASA Astrophysics Data System (ADS)

Corral, Ines; Mo, Otilia; Yanez, Manuel

2006-09-01

The complexes of Cu+ with phenol, aniline, benzaldehyde, benzoic acid, and trifluromethyl-benzene were investigated through the use of MP2 and density functional theory (DFT) methods. Both harmonic vibrational frequencies and optimized geometries were obtained at the B3LYP/6-311G(d,p) and MP2(full)/6-311G(d,p) levels of theory. Final energies were obtained through single point B3LYP/6-311+G(3df,2p)//B3LYP/6-311G(d,p) calculations. The interactions of Cu+ with these aromatic compounds have a non-negligible covalent character, which clearly differentiate Cu+-complexes from the corresponding Li+-complexes. These dissimilarities are reflected in the geometries, binding energies and infrared spectra of the most stable adducts. For Li+ only conventional [pi]-complexes should be expected when interacting with aniline, while Cu+ attaches preferentially to the para carbon atom. For phenol, besides the conventional [pi]-complexes, a 12% of oxygen attached species are expected to be found upon Li+ association. Conversely, no oxygen attached species should be formed in reactions of phenol with Cu+. For benzoic acid and benzaldehyde, Li+ aligns with the dipole moment of the base, interacting exclusively with the carbonyl oxygen in the plane of the molecule. This is also the case in Cu+-benzoic acid complex, while in the Cu+-benzaldehyde complex the metal ion also interacts with the aromatic [pi]-system. Cu+ binding enthalpies (BEs) are systematically larger (about 1.3 times) than Li+ BEs. The covalent character of Cu+ interactions is associated with electron donations from bonding ([pi]) orbitals or lone-pairs of the base toward the 4s empty orbital of the metal and with back-donations from the occupied d orbitals of the metal toward antibonding ([pi]*) empty orbitals of the base. This non-negligible covalent character is also reflected in a rough correlation between the calculated Cu+ BEs and the available experimental proton affinities that does not exist for Li+ BEs.

Closed Loop, DM Diversity-based, Wavefront Correction Algorithm for High Contrast Imaging Systems

NASA Technical Reports Server (NTRS)

Give'on, Amir; Belikov, Ruslan; Shaklan, Stuart; Kasdin, Jeremy

2007-01-01

High contrast imaging from space relies on coronagraphs to limit diffraction and a wavefront control systems to compensate for imperfections in both the telescope optics and the coronagraph. The extreme contrast required (up to 10(exp -10) for terrestrial planets) puts severe requirements on the wavefront control system, as the achievable contrast is limited by the quality of the wavefront. This paper presents a general closed loop correction algorithm for high contrast imaging coronagraphs by minimizing the energy in a predefined region in the image where terrestrial planets could be found. The estimation part of the algorithm reconstructs the complex field in the image plane using phase diversity caused by the deformable mirror. This method has been shown to achieve faster and better correction than classical speckle nulling.

Control of intramolecular π-π stacking interaction in cationic iridium complexes via fluorination of pendant phenyl rings.

PubMed

He, Lei; Ma, Dongxin; Duan, Lian; Wei, Yongge; Qiao, Juan; Zhang, Deqiang; Dong, Guifang; Wang, Liduo; Qiu, Yong

2012-04-16

Intramolecular π-π stacking interaction in one kind of phosphorescent cationic iridium complexes has been controlled through fluorination of the pendant phenyl rings on the ancillary ligands. Two blue-green-emitting cationic iridium complexes, [Ir(ppy)(2)(F2phpzpy)]PF(6) (2) and [Ir(ppy)(2)(F5phpzpy)]PF(6) (3), with the pendant phenyl rings on the ancillary ligands substituted with two and five fluorine atoms, respectively, have been synthesized and compared to the parent complex, [Ir(ppy)(2)(phpzpy)]PF(6) (1). Here Hppy is 2-phenylpyridine, F2phpzpy is 2-(1-(3,5-difluorophenyl)-1H-pyrazol-3-yl)pyridine, F5phpzpy is 2-(1-pentafluorophenyl-1H-pyrazol-3-yl)-pyridine, and phpzpy is 2-(1-phenyl-1H-pyrazol-3-yl)pyridine. Single crystal structures reveal that the pendant phenyl rings on the ancillary ligands stack to the phenyl rings of the ppy ligands, with dihedral angles of 21°, 18°, and 5.0° between least-squares planes for complexes 1, 2, and 3, respectively, and centroid-centroid distances of 3.75, 3.65, and 3.52 Å for complexes 1, 2, and 3, respectively, indicating progressively reinforced intramolecular π-π stacking interactions from complexes 1 to 2 and 3. Compared to complex 1, complex 3 with a significantly reinforced intramolecular face-to-face π-π stacking interaction exhibits a significantly enhanced (by 1 order of magnitude) photoluminescent efficiency in solution. Theoretical calculations reveal that in complex 3 it is unfavorable in energy for the pentafluorophenyl ring to swing by a large degree and the intramolecular π-π stacking interaction remains on the lowest triplet state. © 2012 American Chemical Society

Complex Permittivity of Planar Building Materials Measured With an Ultra-Wideband Free-Field Antenna Measurement System.

PubMed

Davis, Ben; Grosvenor, Chriss; Johnk, Robert; Novotny, David; Baker-Jarvis, James; Janezic, Michael

2007-01-01

Building materials are often incorporated into complex, multilayer macrostructures that are simply not amenable to measurements using coax or waveguide sample holders. In response to this, we developed an ultra-wideband (UWB) free-field measurement system. This measurement system uses a ground-plane-based system and two TEM half-horn antennas to transmit and receive the RF signal. The material samples are placed between the antennas, and reflection and transmission measurements made. Digital signal processing techniques are then applied to minimize environmental and systematic effects. The processed data are compared to a plane-wave model to extract the material properties with optimization software based on genetic algorithms.

Solute softening and defect generation during prismatic slip in magnesium alloys

NASA Astrophysics Data System (ADS)

Yi, Peng; Cammarata, Robert C.; Falk, Michael L.

2017-12-01

Temperature and solute effects on prismatic slip of 〈a〉 dislocations in Mg are studied using molecular dynamics simulation. Prismatic slip is controlled by the low mobility screw dislocation. The screw dislocation glides on the prismatic plane through alternating cross-slip between the basal plane and the prismatic plane. In doing so, it exhibits a locking-unlocking mechanism at low temperatures and a more continuous wavy propagation at high temperatures. The dislocation dissociates into partials on the basal plane and the constriction formation of the partials is identified to be the rate-limiting process for unlocking. In addition, the diffusion of partials on the basal plane enables the formation of jogs and superjogs for prismatic slip, which lead to the generation of vacancies and dislocation loops. Solute softening in Mg alloys was observed in the presence of both Al and Y solute. The softening in prismatic slip is found to be due to solute pinning on the basal plane, instead of the relative energy change of the screw dislocation on the basal and prismatic planes, as has been hypothesized.

Effects of surface stability on the morphological transformation of metals and metal oxides as investigated by first-principles calculations.

PubMed

Andrés, Juan; Gracia, Lourdes; Gouveia, Amanda Fernandes; Ferrer, Mateus Meneghetti; Longo, Elson

2015-10-09

Morphology is a key property of materials. Owing to their precise structure and morphology, crystals and nanocrystals provide excellent model systems for joint experimental and theoretical investigations into surface-related properties. Faceted polyhedral crystals and nanocrystals expose well-defined crystallographic planes depending on the synthesis method, which allow for thoughtful investigations into structure-reactivity relationships under practical conditions. This feature article introduces recent work, based on the combined use of experimental findings and first-principles calculations, to provide deeper knowledge of the electronic, structural, and energetic properties controlling the morphology and the transformation mechanisms of different metals and metal oxides: Ag, anatase TiO2, BaZrO3, and α-Ag2WO4. According to the Wulff theorem, the equilibrium shapes of these systems are obtained from the values of their respective surface energies. These investigations are useful to gain further understanding of how to achieve morphological control of complex three-dimensional crystals by tuning the ratio of the surface energy values of the different facets. This strategy allows the prediction of possible morphologies for a crystal and/or nanocrystal by controlling the relative values of surface energies.

Kirchhoff's rule for quantum wires

NASA Astrophysics Data System (ADS)

Kostrykin, V.; Schrader, R.

1999-01-01

We formulate and discuss one-particle quantum scattering theory on an arbitrary finite graph with n open ends and where we define the Hamiltonian to be (minus) the Laplace operator with general boundary conditions at the vertices. This results in a scattering theory with n channels. The corresponding on-shell S-matrix formed by the reflection and transmission amplitudes for incoming plane waves of energy E>0 is given explicitly in terms of the boundary conditions and the lengths of the internal lines. It is shown to be unitary, which may be viewed as the quantum version of Kirchhoff's law. We exhibit covariance and symmetry properties. It is symmetric if the boundary conditions are real. Also there is a duality transformation on the set of boundary conditions and the lengths of the internal lines such that the low-energy behaviour of one theory gives the high-energy behaviour of the transformed theory. Finally, we provide a composition rule by which the on-shell S-matrix of a graph is factorizable in terms of the S-matrices of its subgraphs. All proofs use only known facts from the theory of self-adjoint extensions, standard linear algebra, complex function theory and elementary arguments from the theory of Hermitian symplectic forms.

Casimir effect within D=3+1 Maxwell-Chern-Simons electrodynamics

NASA Astrophysics Data System (ADS)

Kharlanov, O. G.; Zhukovsky, V. Ch.

2010-01-01

Within the framework of the (3+1)-dimensional Lorentz-violating extended electrodynamics including the CPT-odd Chern-Simons term, we consider the electromagnetic field between two parallel perfectly conducting plates. We find the one-particle eigenstates of such a field, as well as the implicit expression for the photon energy spectrum. We also show that the tachyon-induced vacuum instability is negligible when the separation between the plates is sufficiently small though finite. In order to find the leading Chern-Simons correction to the vacuum energy, we renormalize and evaluate the sum over all one-particle eigenstate energies using the two different methods, the zeta function technique and the transformation of the discrete sum into a complex plane integral via the residue theorem. The resulting correction to the Casimir force, which is attractive and quadratic in the Chern-Simons term, disagrees with the one obtained in [M. Frank and I. Turan, Phys. Rev. DPRVDAQ1550-7998 74, 033016 (2006)10.1103/PhysRevD.74.033016], using the misinterpreted equations of motion. Compared with experimental data, our result places a constraint on the absolute value of the Chern-Simons term.

A multiple-time-scale turbulence model based on variable partitioning of turbulent kinetic energy spectrum

NASA Technical Reports Server (NTRS)

Kim, S.-W.; Chen, C.-P.

1987-01-01

A multiple-time-scale turbulence model of a single point closure and a simplified split-spectrum method is presented. In the model, the effect of the ratio of the production rate to the dissipation rate on eddy viscosity is modeled by use of the multiple-time-scales and a variable partitioning of the turbulent kinetic energy spectrum. The concept of a variable partitioning of the turbulent kinetic energy spectrum and the rest of the model details are based on the previously reported algebraic stress turbulence model. Example problems considered include: a fully developed channel flow, a plane jet exhausting into a moving stream, a wall jet flow, and a weakly coupled wake-boundary layer interaction flow. The computational results compared favorably with those obtained by using the algebraic stress turbulence model as well as experimental data. The present turbulence model, as well as the algebraic stress turbulence model, yielded significantly improved computational results for the complex turbulent boundary layer flows, such as the wall jet flow and the wake boundary layer interaction flow, compared with available computational results obtained by using the standard kappa-epsilon turbulence model.

A multiple-time-scale turbulence model based on variable partitioning of the turbulent kinetic energy spectrum

NASA Technical Reports Server (NTRS)

Kim, S.-W.; Chen, C.-P.

1989-01-01

A multiple-time-scale turbulence model of a single point closure and a simplified split-spectrum method is presented. In the model, the effect of the ratio of the production rate to the dissipation rate on eddy viscosity is modeled by use of the multiple-time-scales and a variable partitioning of the turbulent kinetic energy spectrum. The concept of a variable partitioning of the turbulent kinetic energy spectrum and the rest of the model details are based on the previously reported algebraic stress turbulence model. Example problems considered include: a fully developed channel flow, a plane jet exhausting into a moving stream, a wall jet flow, and a weakly coupled wake-boundary layer interaction flow. The computational results compared favorably with those obtained by using the algebraic stress turbulence model as well as experimental data. The present turbulence model, as well as the algebraic stress turbulence model, yielded significantly improved computational results for the complex turbulent boundary layer flows, such as the wall jet flow and the wake boundary layer interaction flow, compared with available computational results obtained by using the standard kappa-epsilon turbulence model.

The EMIL project at BESSY II: Beamline design and performance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hendel, Stefan, E-mail: stefan.hendel@helmholtz-berlin.de; Schäfers, Franz; Reichardt, Gerd

2016-07-27

The Energy Materials In-Situ Laboratory Berlin (EMIL) at BESSY-II is currently under construction. Two canted undulators for soft- and hard X-rays will be installed into the BESSY II storage ring in one straight section, complex beamlines with more than twenty optical elements will be set up and a new laboratory building attached to BESSY II will host three endstations and a large UHV-transfer system connecting various HV- and UHV-deposition systems. The undulators, UE48 and U17, provide a broad energy spectrum of 80 - 10000 eV, of which the harder radiation (>700 eV) is provided by a cryogenic in-vacuum device. Threemore » monochromators (two plane grating monochromators (PGM) and one LN{sub 2}-cooled double crystal monochromator (DCM)) disperse the radiation into separate pathways of 65 m length, while downstream of the monochromators split-mirror chambers distribute the photon beam to one (or simultaneously to two) of five upcoming endstations. Three of these endstations are designed for the full energy range with spatial overlap of the soft and hard foci, whereas one endstation (PEEM) uses only the soft and another one (PINK) only the hard branch, respectively.« less

Experimental study of shock-accelerated inclined heavy gas cylinder

DOE PAGES

Olmstead, Dell; Wayne, Patrick; Yoo, Jae-Hwun; ...

2017-05-23

An experimental study examines shock acceleration with an initially diffuse cylindrical column of sulfur hexafluoride surrounded by air and inclined with respect to the shock front. Three-dimensional vorticity deposition produces flow patterns whose evolution is captured with planar laser-induced fluorescence in two planes. Both planes are thus parallel to the direction of the shock propagation. The first plane is vertical and passes through the axis of the column. The second visualization plane is normal to the first plane and passes through the centerline of the shock tube. Vortex formation in the vertical and centerline planes is initially characterized by differentmore » rates and morphologies due to differences in initial vorticity deposition. In the vertical plane, the vortex structure manifests a periodicity that varies with Mach number. The dominant wavelength in the vertical plane can be related to the geometry and compressibility of the initial conditions. At later times, the vortex interaction produces a complex and irregular three-dimensional pattern suggesting transition to turbulence. We present highly repeatable experimental data for Mach numbers 1.13, 1.4, 1.7, and 2.0 at column incline angles of 0, 20, and 30 degrees for about 50 nominal cylinder diameters (30 cm) of downstream travel.« less

3D Motions of Iron in Six-Coordinate {FeNO} 7 Hemes by Nuclear Resonance Vibration Spectroscopy [3-D Motions of Iron in Six-coordinate {FeNO} 7 Hemes by NRVS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peng, Qian; Pavlik, Jeffrey W.; Silvernail, Nathan J.

The vibrational spectrum of a six-coordinate nitrosyl iron porphyrinate, monoclinic [Fe(T pFPP)(1-MeIm)(NO)] (T pFPP = tetra- para-fluorophenylporphyrin; 1-MeIm=1-methylimidazole), has been studied by oriented single-crystal nuclear resonance vibrational spectroscopy (NRVS). The crystal was oriented to give spectra perpendicular to the porphyrin plane and two in-plane spectra perpendicular or parallel to the projection of the FeNO plane. These enable assignment of the FeNO bending and stretching modes. The measurements reveal that the two in-plane spectra have substantial differences that result from the strongly bonded axial NO ligand. The direction of the in-plane iron motion is found to be largely parallel and perpendicularmore » to the projection of the bent FeNO on the porphyrin plane. The out-of-plane Fe-N-O stretching and bending modes are strongly mixed with each other, as well as with porphyrin ligand modes. The stretch is mixed with v 50 as was also observed for dioxygen complexes. The frequency of the assigned stretching mode of eight Fe-X-O (X= N, C, and O) complexes is correlated with the Fe XO bond lengths. The nature of highest frequency band at ≈560 cm -1 has also been examined in two additional new derivatives. Previously assigned as the Fe NO stretch (by resonance Raman), it is better described as the bend, as the motion of the central nitrogen atom of the FeNO group is very large. There is significant mixing of this mode. In conclusion, the results emphasize the importance of mode mixing; the extent of mixing must be related to the peripheral phenyl substituents.« less

3D Motions of Iron in Six-Coordinate {FeNO} 7 Hemes by Nuclear Resonance Vibration Spectroscopy [3-D Motions of Iron in Six-coordinate {FeNO} 7 Hemes by NRVS

DOE PAGES

Peng, Qian; Pavlik, Jeffrey W.; Silvernail, Nathan J.; ...

2016-03-21

The vibrational spectrum of a six-coordinate nitrosyl iron porphyrinate, monoclinic [Fe(T pFPP)(1-MeIm)(NO)] (T pFPP = tetra- para-fluorophenylporphyrin; 1-MeIm=1-methylimidazole), has been studied by oriented single-crystal nuclear resonance vibrational spectroscopy (NRVS). The crystal was oriented to give spectra perpendicular to the porphyrin plane and two in-plane spectra perpendicular or parallel to the projection of the FeNO plane. These enable assignment of the FeNO bending and stretching modes. The measurements reveal that the two in-plane spectra have substantial differences that result from the strongly bonded axial NO ligand. The direction of the in-plane iron motion is found to be largely parallel and perpendicularmore » to the projection of the bent FeNO on the porphyrin plane. The out-of-plane Fe-N-O stretching and bending modes are strongly mixed with each other, as well as with porphyrin ligand modes. The stretch is mixed with v 50 as was also observed for dioxygen complexes. The frequency of the assigned stretching mode of eight Fe-X-O (X= N, C, and O) complexes is correlated with the Fe XO bond lengths. The nature of highest frequency band at ≈560 cm -1 has also been examined in two additional new derivatives. Previously assigned as the Fe NO stretch (by resonance Raman), it is better described as the bend, as the motion of the central nitrogen atom of the FeNO group is very large. There is significant mixing of this mode. In conclusion, the results emphasize the importance of mode mixing; the extent of mixing must be related to the peripheral phenyl substituents.« less

Investigation of the in-plane and out-of-plane electrical properties of metallic nanoparticles in dielectric matrix thin films elaborated by atomic layer deposition

NASA Astrophysics Data System (ADS)

Thomas, D.; Puyoo, E.; Le Berre, M.; Militaru, L.; Koneti, S.; Malchère, A.; Epicier, T.; Roiban, L.; Albertini, D.; Sabac, A.; Calmon, F.

2017-11-01

Pt nanoparticles in a Al2O3 dielectric matrix thin films are elaborated by means of atomic layer deposition. These nanostructured thin films are integrated in vertical and planar test structures in order to assess both their in-plane and out-of-plane electrical properties. A shadow edge evaporation process is used to develop planar devices with electrode separation distances in the range of 30 nm. Both vertical and planar test structures show a Poole-Frenkel conduction mechanism. Low trap energy levels (<0.1 eV) are identified for the two test structures which indicates that the Pt islands themselves are not acting as traps in the PF mechanism. Furthermore, a more than three order of magnitude current density difference is observed between the two geometries. This electrical anisotropy is attributed to a large electron mobility difference in the in-plane and out-of-plane directions which can be related to different trap distributions in both directions.

Coupled-oscillator theory of dispersion and Casimir-Polder interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berman, P. R.; Ford, G. W.; Milonni, P. W.

2014-10-28

We address the question of the applicability of the argument theorem (of complex variable theory) to the calculation of two distinct energies: (i) the first-order dispersion interaction energy of two separated oscillators, when one of the oscillators is excited initially and (ii) the Casimir-Polder interaction of a ground-state quantum oscillator near a perfectly conducting plane. We show that the argument theorem can be used to obtain the generally accepted equation for the first-order dispersion interaction energy, which is oscillatory and varies as the inverse power of the separation r of the oscillators for separations much greater than an optical wavelength.more » However, for such separations, the interaction energy cannot be transformed into an integral over the positive imaginary axis. If the argument theorem is used incorrectly to relate the interaction energy to an integral over the positive imaginary axis, the interaction energy is non-oscillatory and varies as r{sup −4}, a result found by several authors. Rather remarkably, this incorrect expression for the dispersion energy actually corresponds to the nonperturbative Casimir-Polder energy for a ground-state quantum oscillator near a perfectly conducting wall, as we show using the so-called “remarkable formula” for the free energy of an oscillator coupled to a heat bath [G. W. Ford, J. T. Lewis, and R. F. O’Connell, Phys. Rev. Lett. 55, 2273 (1985)]. A derivation of that formula from basic results of statistical mechanics and the independent oscillator model of a heat bath is presented.« less

Symmetry Groups of the Austenite Lattice and Construction of Self-Accommodation Complexes of Martensite Crystals in Alloys with the Shape-Memory Effect

NASA Astrophysics Data System (ADS)

Khundjua, A. G.; Ptitsin, A. G.; Brovkina, E. A.

2018-01-01

The internal structure of experimentally observed self-accommodation complexes of martensite crystals, which is determined by the system of twinning planes, is studied in this work. The direct correlation of the construction type of the complexes with the subgroups of the austenite lattice symmetry group is shown.

Evaluation of scenario-specific modeling approaches to predict plane of array solar irradiation

DOE PAGES

Moslehi, Salim; Reddy, T. Agami; Katipamula, Srinivas

2017-12-20

Predicting thermal or electric power output from solar collectors requires knowledge of solar irradiance incident on the collector, known as plane of array irradiance. In the absence of such a measurement, plane of array irradiation can be predicted using relevant transposition models which essentially requires diffuse (or beam) radiation to be to be known along with total horizontal irradiation. The two main objectives of the current study are (1) to evaluate the extent to which the prediction of plane of array irradiance is improved when diffuse radiation is predicted using location-specific regression models developed from on-site measured data as againstmore » using generalized models; and (2) to estimate the expected uncertainties associated with plane of array irradiance predictions under different data collection scenarios likely to be encountered in practical situations. These issues have been investigated using monitored data for several U.S. locations in conjunction with the Typical Meteorological Year, version 3 database. An interesting behavior in the Typical Meteorological Year, version 3 data was also observed in correlation patterns between diffuse and total radiation taken from different years which seems to attest to a measurement problem. Furthermore, the current study was accomplished under a broader research agenda aimed at providing energy managers the necessary tools for predicting, scheduling, and controlling various sub-systems of an integrated energy system.« less

Evaluation of scenario-specific modeling approaches to predict plane of array solar irradiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moslehi, Salim; Reddy, T. Agami; Katipamula, Srinivas

Predicting thermal or electric power output from solar collectors requires knowledge of solar irradiance incident on the collector, known as plane of array irradiance. In the absence of such a measurement, plane of array irradiation can be predicted using relevant transposition models which essentially requires diffuse (or beam) radiation to be to be known along with total horizontal irradiation. The two main objectives of the current study are (1) to evaluate the extent to which the prediction of plane of array irradiance is improved when diffuse radiation is predicted using location-specific regression models developed from on-site measured data as againstmore » using generalized models; and (2) to estimate the expected uncertainties associated with plane of array irradiance predictions under different data collection scenarios likely to be encountered in practical situations. These issues have been investigated using monitored data for several U.S. locations in conjunction with the Typical Meteorological Year, version 3 database. An interesting behavior in the Typical Meteorological Year, version 3 data was also observed in correlation patterns between diffuse and total radiation taken from different years which seems to attest to a measurement problem. Furthermore, the current study was accomplished under a broader research agenda aimed at providing energy managers the necessary tools for predicting, scheduling, and controlling various sub-systems of an integrated energy system.« less

Plane Symmetric Dark Energy Models in the Form of Wet Dark Fluid in f ( R, T) Gravity

NASA Astrophysics Data System (ADS)

Chirde, V. R.; Shekh, S. H.

2016-06-01

In this paper, we have investigated the plane symmetric space-time with wet dark fluid (WDF), which is a candidate for dark energy, in the framework of f ( R, T) gravity Harko et al. 2011, Phys. Rev. D, 84, 024020), where R and T denote the Ricci scalar and the trace of the energy-momentum tensor respectively. We have used the equation of state in the form of WDF for the dark energy component of the Universe. It is modeled on the equation of state p = ω( ρ - ρ ∗). The exact solutions to the corresponding field equations are obtained for power-law and exponential volumetric expansion. The geometrical and physical parameters for both the models are studied. Also, we have discussed the well-known astrophysical phenomena, namely the look-back time, proper distance, the luminosity distance and angular diameter distance with red shift.

Structures, systems and methods for harvesting energy from electromagnetic radiation

DOEpatents

Novack, Steven D [Idaho Falls, ID; Kotter, Dale K [Shelley, ID; Pinhero, Patrick J [Columbia, MO

2011-12-06

Methods, devices and systems for harvesting energy from electromagnetic radiation are provided including harvesting energy from electromagnetic radiation. In one embodiment, a device includes a substrate and one or more resonance elements disposed in or on the substrate. The resonance elements are configured to have a resonant frequency, for example, in at least one of the infrared, near-infrared and visible light spectra. A layer of conductive material may be disposed over a portion of the substrate to form a ground plane. An optical resonance gap or stand-off layer may be formed between the resonance elements and the ground plane. The optical resonance gap extends a distance between the resonance elements and the layer of conductive material approximately one-quarter wavelength of a wavelength of the at least one resonance element's resonant frequency. At least one energy transfer element may be associated with the at least one resonance element.

Replace with abstract title

NASA Astrophysics Data System (ADS)

Coho, Aleksander; Kioussis, Nicholas

2003-03-01

We use the semidiscrete variational generelized Peierls-Nabarro model to study the effect of Cu alloying on the dislocation properties of Al. First-principles density functional theory (DFT) is used to calculate the generalized-stacking-fault (GSF) energy surface when a <111> plane, on which one in four Al atoms has been replaced with a Cu atom, slips over a pure Al <111> plane. Various dislocation core properties (core width, energy, Peierls stress, dissociation tendency) are investigated and compared with the pure Al case. Cu alloying lowers the intrinsic stacking fault (ISF) energy, which makes dislocations more likely to dissociate into partials. We also try to understand the lowering of ISF energy in terms of Al-Cu and Al-Al bond formation and braking during shearing along the <112> direction. From the above we draw conclusions about the effects of Cu alloying on the mechanical properties of Al.

Lump solutions of the BKP equation

NASA Astrophysics Data System (ADS)

Gilson, C. R.; Nimmo, J. J. C.

1990-07-01

Rational solutions of the BKP equation which decay to zero in all directions in the plane are obtained. These solutions are analogous to the lump solutions of the KPI equation. Properties of the single lump solution are described and the form of the N-lump solution is given. It is shown that single lump solutions are only non-singular for spectral parameters lying in certain regions of the complex plane.

Chemical etching and organometallic chemical vapor deposition on varied geometries of GaAs

NASA Technical Reports Server (NTRS)

Bailey, Sheila G.; Landis, Geoffrey A.; Wilt, David M.

1989-01-01

Results of micron-spaced geometries produced by wet chemical etching and subsequent OMCVD growth on various GaAs surfaces are presented. The polar lattice increases the complexity of the process. The slow-etch planes defined by anisotropic etching are not always the same as the growth facets produced during MOCVD deposition, especially for deposition on higher-order planes produced by the hex groove etching.

Simultaneous measurement of in-plane and out-of-plane displacement derivatives using dual-wavelength digital holographic interferometry.

PubMed

Rajshekhar, Gannavarpu; Gorthi, Sai Siva; Rastogi, Pramod

2011-12-01

The paper introduces a method for simultaneously measuring the in-plane and out-of-plane displacement derivatives of a deformed object in digital holographic interferometry. In the proposed method, lasers of different wavelengths are used to simultaneously illuminate the object along various directions such that a unique wavelength is used for a given direction. The holograms formed by multiple reference-object beam pairs of different wavelengths are recorded by a 3-color CCD camera with red, green, and blue channels. Each channel stores the hologram related to the corresponding wavelength and hence for the specific direction. The complex reconstructed interference field is obtained for each wavelength by numerical reconstruction and digital processing of the recorded holograms before and after deformation. Subsequently, the phase derivative is estimated for a given wavelength using two-dimensional pseudo Wigner-Ville distribution and the in-plane and out-of-plane components are obtained from the estimated phase derivatives using the sensitivity vectors of the optical configuration. © 2011 Optical Society of America

Intertwined Hamiltonians in two-dimensional curved spaces

NASA Astrophysics Data System (ADS)

Aghababaei Samani, Keivan; Zarei, Mina

2005-04-01

The problem of intertwined Hamiltonians in two-dimensional curved spaces is investigated. Explicit results are obtained for Euclidean plane, Minkowski plane, Poincaré half plane (AdS2), de Sitter plane (dS2), sphere, and torus. It is shown that the intertwining operator is related to the Killing vector fields and the isometry group of corresponding space. It is shown that the intertwined potentials are closely connected to the integral curves of the Killing vector fields. Two problems are considered as applications of the formalism presented in the paper. The first one is the problem of Hamiltonians with equispaced energy levels and the second one is the problem of Hamiltonians whose spectrum is like the spectrum of a free particle.

Laboratory investigation of shale rock to identify fracture propagation in vertical direction to bedding

NASA Astrophysics Data System (ADS)

Peng, Tan; Yan, Jin; Bing, Hou; Yingcao, Zhou; Ruxin, Zhang; Zhi, Chang; Meng, Fan

2018-06-01

Affected by beddings and natural fractures, fracture geometry in the vertical plane is complex in shale formation, which differs from a simple fracture in homogeneous sandstone reservoirs. However, the propagation mechanism of a hydraulic fracture in the vertical plane has not been well understood. In this paper, a true tri-axial pressure machine was deployed for shale horizontal well fracturing simulation experiments of shale outcrops. The effects of multiple factors on hydraulic fracture vertical propagation were studied. The results revealed that hydraulic fracture initiation and propagation displayed four basic patterns in the vertical plane of laminated shale formation. A hydraulic fracture would cross the beddings under the high vertical stress difference between a vertical stress and horizontal minimum stress of 12 MPa, while a hydraulic fracture propagates along the beddings under a low vertical stress difference of 3 MPa. Four kinds of fracture geometry, including a single main fracture, a nonplanar fracture, a complex fracture, and a complex fracture network, were observed due to the combined effects of flow rate and viscosity. Due to the influence of binding strength (or cementing strength) on the fracture communication effects between a hydraulic fracture and the beddings, the opening region of the beddings takes the shape of an ellipse.

Nonviral transfection of suspension cells in ultrasound standing wave fields.

PubMed

Lee, Yu-Hsiang; Peng, Ching-An

2007-05-01

Ultrasound-induced cavitation has been widely used for delivering DNA vectors into cells. However, this approach may seriously disrupt cell membranes and cause lethal damage when cells are exposed to the inertial cavitation field. In this study, instead of using sonoporation, ultrasound standing wave fields (USWF) were explored for nonviral transfection of suspension cells. Acoustic resonance in a tubular chamber was generated from the interference of waves emitted from a piezoelectric transducer and consequently reflected from a borosilicate glass coverslip. The suspended K562 erythroleukemia cells were transfected by polyethyleneimine (PEI)/DNA complexes with and without exposure to 1-MHz USWF for 5 min. During USWF exposure, K562 cells moved to the pressure nodal planes first and formed cell bands by the primary radiation force. Nanometer-sized PEI/DNA complexes, circulated between nodal planes by acoustic microstreaming, then used the cell agglomerates as the nucleating sites on which to attach. After incubation at 37 degrees C for 48 h, the efficiency of nonviral transfection based on EGFP transgene expression was determined by fluorescent microscopy and fluorometry. Both studies showed that USWF brought suspended K562 cells and PEI/DNA complexes into close contact at the pressure nodal planes, yielding an approximately 10-fold increment of EGFP transgene expression compared with the group without ultrasonic treatment.

CAMEA—A novel multiplexing analyzer for neutron spectroscopy

NASA Astrophysics Data System (ADS)

Groitl, Felix; Graf, Dieter; Birk, Jonas Okkels; Markó, Márton; Bartkowiak, Marek; Filges, Uwe; Niedermayer, Christof; Rüegg, Christian; Rønnow, Henrik M.

2016-03-01

The analyzer detector system continuous angle multiple energy analysis will be installed on the cold-neutron triple-axis spectrometer RITA-2 at SINQ, PSI. CAMEA is optimized for efficiency in the horizontal scattering plane enabling rapid and detailed mapping of excitations. As a novelty the design employs a series of several sequential upward scattering analyzer arcs. Each arc is set to a different, fixed, final energy and scatters neutrons towards position sensitive detectors. Thus, neutrons with different final energies are recorded simultaneously over a large angular range. In a single data-acquisition many entire constant-energy lines in the horizontal scattering plane are recorded for a quasi-continuous angular coverage of about 60°. With a large combined coverage in energy and momentum, this will result in a very efficient spectrometer, which will be particularly suited for parametric studies under extreme conditions with restrictive sample environments (high field magnets or pressure cells) and for small samples of novel materials. In this paper we outline the concept and the specifications of the instrument currently under construction.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Groitl, Felix, E-mail: felix.groitl@psi.ch; Paul Scherrer Institute, Laboratory for Neutron Scattering and Imaging, 5232 Villigen; Graf, Dieter

The analyzer detector system continuous angle multiple energy analysis will be installed on the cold-neutron triple-axis spectrometer RITA-2 at SINQ, PSI. CAMEA is optimized for efficiency in the horizontal scattering plane enabling rapid and detailed mapping of excitations. As a novelty the design employs a series of several sequential upward scattering analyzer arcs. Each arc is set to a different, fixed, final energy and scatters neutrons towards position sensitive detectors. Thus, neutrons with different final energies are recorded simultaneously over a large angular range. In a single data-acquisition many entire constant-energy lines in the horizontal scattering plane are recorded formore » a quasi-continuous angular coverage of about 60°. With a large combined coverage in energy and momentum, this will result in a very efficient spectrometer, which will be particularly suited for parametric studies under extreme conditions with restrictive sample environments (high field magnets or pressure cells) and for small samples of novel materials. In this paper we outline the concept and the specifications of the instrument currently under construction.« less