Theoretical and observational analysis of spacecraft fields

NASA Technical Reports Server (NTRS)

Neubauer, F. M.; Schatten, K. H.

1972-01-01

In order to investigate the nondipolar contributions of spacecraft magnetic fields a simple magnetic field model is proposed. This model consists of randomly oriented dipoles in a given volume. Two sets of formulas are presented which give the rms-multipole field components, for isotropic orientations of the dipoles at given positions and for isotropic orientations of the dipoles distributed uniformly throughout a cube or sphere. The statistical results for an 8 cu m cube together with individual examples computed numerically show the following features: Beyond about 2 to 3 m distance from the center of the cube, the field is dominated by an equivalent dipole. The magnitude of the magnetic moment of the dipolar part is approximated by an expression for equal magnetic moments or generally by the Pythagorean sum of the dipole moments. The radial component is generally greater than either of the transverse components for the dipole portion as well as for the nondipolar field contributions.

Comparison between electric dipole and magnetic loop antennas for emitting whistler modes

NASA Astrophysics Data System (ADS)

Stenzel, R.; Urrutia, J. M.

2016-12-01

In a large uniform and unbounded laboratory plasma low frequency whistler modes are excited from an electric dipole and a magnetic loop. The excited waves are measured with a magnetic probe which resolves the three field components in 3D space and time. This yields the group velocity and energy density, from which one obtains the emitted power. The same rf generator is used for both antennas and the radiated power is measured under identical plasma conditions. The magnetic loop radiates 8000 times more power than the electric dipole. The reason is that the loop antenna carries a large conduction current while the electric dipole current is a much smaller displacement current through the sheath. The current, hence magnetic field excites whistlers, not the dipole electric field. Incidentally, a dipole antenna does not launch plane waves but m = 1 helicon modes. The findings suggest that active wave injections into the magnetosphere should be done with magnetic antennas. Two parallel dipoles connected at the free end could serve as an elongated loop.

Polarization and charge transfer in the hydration of chloride ions

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

Zhao Zhen; Rogers, David M.; Beck, Thomas L.

2010-01-07

A theoretical study of the structural and electronic properties of the chloride ion and water molecules in the first hydration shell is presented. The calculations are performed on an ensemble of configurations obtained from molecular dynamics simulations of a single chloride ion in bulk water. The simulations utilize the polarizable AMOEBA force field for trajectory generation and MP2-level calculations are performed to examine the electronic structure properties of the ions and surrounding waters in the external field of more distant waters. The ChelpG method is employed to explore the effective charges and dipoles on the chloride ions and first-shell waters.more » The quantum theory of atoms in molecules (QTAIM) is further utilized to examine charge transfer from the anion to surrounding water molecules. The clusters extracted from the AMOEBA simulations exhibit high probabilities of anisotropic solvation for chloride ions in bulk water. From the QTAIM analysis, 0.2 elementary charges are transferred from the ion to the first-shell water molecules. The default AMOEBA model overestimates the average dipole moment magnitude of the ion compared to the quantum mechanical value. The average magnitude of the dipole moment of the water molecules in the first shell treated at the MP2-level, with the more distant waters handled with an AMOEBA effective charge model, is 2.67 D. This value is close to the AMOEBA result for first-shell waters (2.72 D) and is slightly reduced from the bulk AMOEBA value (2.78 D). The magnitude of the dipole moment of the water molecules in the first solvation shell is most strongly affected by the local water-water interactions and hydrogen bonds with the second solvation shell, rather than by interactions with the ion.« less

Electrical detection of ortho–para conversion in fullerene-encapsulated water

PubMed Central

Meier, Benno; Mamone, Salvatore; Concistrè, Maria; Alonso-Valdesueiro, Javier; Krachmalnicoff, Andrea; Whitby, Richard J.; Levitt, Malcolm H.

2015-01-01

Water exists in two spin isomers, ortho and para, that have different nuclear spin states. In bulk water, rapid proton exchange and hindered molecular rotation obscure the direct observation of two spin isomers. The supramolecular endofullerene H2O@C60 provides freely rotating, isolated water molecules even at cryogenic temperatures. Here we show that the bulk dielectric constant of this substance depends on the ortho/para ratio, and changes slowly in time after a sudden temperature jump, due to nuclear spin conversion. The attribution of the effect to ortho–para conversion is validated by comparison with nuclear magnetic resonance and quantum theory. The change in dielectric constant is consistent with an electric dipole moment of 0.51±0.05 Debye for an encapsulated water molecule, indicating the partial shielding of the water dipole by the encapsulating cage. The dependence of bulk dielectric constant on nuclear spin isomer composition appears to be a previously unreported physical phenomenon. PMID:26299447

Formation of Enhanced Uniform Chiral Fields in Symmetric Dimer Nanostructures

PubMed Central

Tian, Xiaorui; Fang, Yurui; Sun, Mengtao

2015-01-01

Chiral fields with large optical chirality are very important in chiral molecules analysis, sensing and other measurements. Plasmonic nanostructures have been proposed to realize such super chiral fields for enhancing weak chiral signals. However, most of them cannot provide uniform chiral near-fields close to the structures, which makes these nanostructures not so efficient for applications. Plasmonic helical nanostructures and blocked squares have been proved to provide uniform chiral near-fields, but structure fabrication is a challenge. In this paper, we show that very simple plasmonic dimer structures can provide uniform chiral fields in the gaps with large enhancement of both near electric fields and chiral fields under linearly polarized light illumination with polarization off the dimer axis at dipole resonance. An analytical dipole model is utilized to explain this behavior theoretically. 30 times of volume averaged chiral field enhancement is gotten in the whole gap. Chiral fields with opposite handedness can be obtained simply by changing the polarization to the other side of the dimer axis. It is especially useful in Raman optical activity measurement and chiral sensing of small quantity of chiral molecule. PMID:26621558

Flexoelectricity as a bulk property

NASA Astrophysics Data System (ADS)

Resta, Raffaele

2010-03-01

Piezoelectric composites can be created using nonpiezoelectric materials, by exploiting flexoelectricity. This is by definition the linear response of polarization to strain gradient, and is symmetry-allowed even in elemental crystals. However, the basic issue whether flexoelectricity is a bulk or a surface material property is open. We mention that the analogous issue about piezoelectricity is nontrivial either.^1 In this first attempt towards a full theory of flexoelectricity we prove that, for a simple class of strain and strain gradients, flexoelectricity is indeed a bulk effect. The key ingredients of the present theory are the long-range perturbations linearly induced by a unit displacement of a single nucleus in an otherwise perfect crystal: to leading order these are dipolar, quadrupolar, and octupolar. The corresponding tensors have rank 2, 3, and 4, respectively. Whereas dipoles and quadrupoles provide the piezoelectric response,^1 we show that dipoles and octupoles provide the flexoelectric response in nonpiezoelectric crystals. We conjecture that the full dipole and octupole tensors provide the flexoelectric response to the most general form of strain gradient. Our problem has a close relationship to the one of the ``absolute'' deformation potentials, which is based on a similar kind of dipolar and octupolar tensors.^2 ^1 R. M. Martin, Phys. Rev. B 5, 1607 (1972). ^2 R. Resta, L. Colombo and S. Baroni, Phys. Rev. B 41, 12538 (1990).

Vlasov Simulations of Ionospheric Heating Near Upper Hybrid Resonance

NASA Astrophysics Data System (ADS)

Najmi, A. C.; Eliasson, B. E.; Shao, X.; Milikh, G. M.; Papadopoulos, K.

2014-12-01

It is well-known that high-frequency (HF) heating of the ionosphere can excite field- aligned density striations (FAS) in the ionospheric plasma. Furthermore, in the neighborhood of various resonances, the pump wave can undergo parametric instabilities to produce a variety of electrostatic and electromagnetic waves. We have used a Vlasov simulation with 1-spatial dimension, 2-velocity dimensions, and 2-components of fields, to study the effects of ionospheric heating when the pump frequency is in the vicinity of the upper hybrid resonance, employing parameters currently available at ionospheric heaters such as HAARP. We have found that by seeding theplasma with a FAS of width ~20% of the simulation domain, ~10% depletion, and by applying a spatially uniform HF dipole pump electric field, the pump wave gives rise to a broad spectrum of density fluctuations as well as to upper hybrid and lower hybrid oscillating electric fields. We also observe collisionless bulk-heating of the electrons that varies non-linearly with the amplitude of the pump field.

Comparison of electric dipole and magnetic loop antennas for exciting whistler modes

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

Stenzel, R. L.; Urrutia, J. M.

2016-08-15

The excitation of low frequency whistler modes from different antennas has been investigated experimentally in a large laboratory plasma. One antenna consists of a linear electric dipole oriented across the uniform ambient magnetic field B{sub 0}. The other antenna is an elongated loop with dipole moment parallel to B{sub 0}. Both antennas are driven by the same rf generator which produces a rf burst well below the electron cyclotron frequency. The antenna currents as well as the wave magnetic fields from each antenna are measured. Both the antenna currents and the wave fields of the loop antenna exceed that ofmore » the electric dipole by two orders of magnitude. The conclusion is that loop antennas are far superior to dipole antennas for exciting large amplitude whistler modes, a result important for active wave experiments in space plasmas.« less

Optical dipole forces: Working together

NASA Astrophysics Data System (ADS)

Aiello, Clarice D.

2017-03-01

Strength lies in numbers and in teamwork: tens of thousands of artificial atoms tightly packed in a nanodiamond act cooperatively, enhancing the optical trapping forces beyond the expected classical bulk polarizability contribution.

Polymer chain collapse induced by many-body dipole correlations.

PubMed

Budkov, Yu A; Kalikin, N N; Kolesnikov, A L

2017-04-01

We present a simple analytical theory of a flexible polymer chain dissolved in a good solvent, carrying permanent freely oriented dipoles on the monomers. We take into account the dipole correlations within the random phase approximation (RPA), as well as a dielectric heterogeneity in the internal polymer volume relative to the bulk solution. We demonstrate that the dipole correlations of monomers can be taken into account as pairwise ones only when the polymer chain is in a coil conformation. In this case the dipole correlations manifest themselves through the Keesom interactions of the permanent dipoles. On the other hand, the dielectric heterogeneity effect (dielectric mismatch effect) leads to the effective interaction between the monomers of the polymeric coil. Both of these effects can be taken into account by renormalizing the second virial coefficient of the monomer-monomer volume interactions. We establish that in the case when the solvent dielectric permittivity exceeds the dielectric permittivity of the polymeric material, the dielectric mismatch effect competes with the dipole attractive interactions, leading to polymer coil expansion. In the opposite case, both the dielectric mismatch effect and the dipole attractive interaction lead to the polymer coil collapse. We analyse the coil-globule transition caused by the dipole correlations of monomers within the many-body theory. We demonstrate that accounting for the dipole correlations higher than the pairwise ones smooths this pure electrostatics driven coil-globule transition of the polymer chain.

Laboratory simulation of energetic flows of magnetospheric planetary plasma

NASA Astrophysics Data System (ADS)

Shaikhislamov, I. F.; Posukh, V. G.; Melekhov, A. V.; Boyarintsev, E. L.; Zakharov, Yu P.; Prokopov, P. A.; Ponomarenko, A. G.

2017-01-01

Dynamic interaction of super-sonic counter-streaming plasmas moving in dipole magnetic dipole is studied in laboratory experiment. First, a quasi-stationary flow is produced by plasma gun which forms a magnetosphere around the magnetic dipole. Second, explosive plasma expanding from inner dipole region outward is launch by laser beams focused at the surface of the dipole cover. Laser plasma is energetic enough to disrupt magnetic field and to sweep through the background plasma for large distances. Probe measurements showed that far from the initially formed magnetosphere laser plasma carries within itself a magnetic field of the same direction but order of magnitude larger in value than the vacuum dipole field at considered distances. Because no compression of magnetic field at the front of laser plasma was observed, the realized interaction is different from previous experiments and theoretical models of laser plasma expansion into uniform magnetized background. It was deduced based on the obtained data that laser plasma while expanding through inner magnetosphere picks up a magnetized shell formed by background plasma and carries it for large distances beyond previously existing magnetosphere.

The Existence of Topological Edge States in Honeycomb Plasmonic Lattices

NASA Astrophysics Data System (ADS)

Wang, Li

In this paper, we investigate the band properties of 2D honeycomb plasmonic lattices consisting of metallic nanoparticles. By means of the coupled dipole method and quasi-static approximation, we theoretically analyze the band structures stemming from near-field interaction of localized surface plasmon polaritons for both the infinite lattice and ribbons. Naturally, the interaction of point dipoles decouples into independent out-of-plane and in-plane polarizations. For the out-of-plane modes, both the bulk spectrum and the range of the momentum k∥ where edge states exist in ribbons are similar to the electronic bands in graphene. Nevertheless, the in-plane polarized modes show significant differences, which do not only possess additional non-flat edge states in ribbons, but also have different distributions of the flat edge states in reciprocal space. For in-plane polarized modes, we derived the bulk-edge correspondence, namely, the relation between the number of flat edge states at a fixed k∥, Zak phases of the bulk bands and the winding number associated with the bulk hamiltonian, and verified it through four typical ribbon boundaries, i.e. zigzag, bearded zigzag, armchair, and bearded armchair. Our approach gives a new topological understanding of edge states in such plasmonic systems, and may also apply to other 2D vector wave systems.

The existence of topological edge states in honeycomb plasmonic lattices

NASA Astrophysics Data System (ADS)

Wang, Li; Zhang, Ruo-Yang; Xiao, Meng; Han, Dezhuan; Chan, C. T.; Wen, Weijia

2016-10-01

In this paper, we investigate the band properties of 2D honeycomb plasmonic lattices consisting of metallic nanoparticles. By means of the coupled dipole method and quasi-static approximation, we theoretically analyze the band structures stemming from near-field interaction of localized surface plasmon polaritons for both the infinite lattice and ribbons. Naturally, the interaction of point dipoles decouples into independent out-of-plane and in-plane polarizations. For the out-of-plane modes, both the bulk spectrum and the range of the momentum k ∥ where edge states exist in ribbons are similar to the electronic bands in graphene. Nevertheless, the in-plane polarized modes show significant differences, which do not only possess additional non-flat edge states in ribbons, but also have different distributions of the flat edge states in reciprocal space. For in-plane polarized modes, we derived the bulk-edge correspondence, namely, the relation between the number of flat edge states at a fixed {k}\\parallel , Zak phases of the bulk bands and the winding number associated with the bulk Hamiltonian, and verified it through four typical ribbon boundaries, i.e. zigzag, bearded zigzag, armchair, and bearded armchair. Our approach gives a new topological understanding of edge states in such plasmonic systems, and may also apply to other 2D ‘vector wave’ systems.

Maps based on 53 GHz (5.7 mm wavelength)

NASA Technical Reports Server (NTRS)

2002-01-01

Maps based on 53 GHz (5.7 mm wavelength) observations made with the DMR over the entire 4-year mission (top) on a scale from 0 - 4 K, showing the near-uniformity of the CMB brightness, (middle) on a scale intended to enhance the contrast due to the dipole described in the slide 19 caption, and (bottom) following subtraction of the dipole component. Emission from the Milky Way Galaxy is evident in the bottom image. See slide 19 caption for information about map smoothing and projection.

Static and dynamic parasitic magnetizations and their control in superconducting accelerator dipoles

NASA Astrophysics Data System (ADS)

Collings, E. W.; Sumption, M. D.

2001-05-01

Long dipole magnets guide the particle beams in synchrotron-type high energy accelerators. In principal Cu-wound DC-excited dipoles could be designed to deliver a very uniform transverse bore field, i.e. with small or negligible harmonic (multipolar) distortion. But if the Cu is replaced by (a) superconducting strand that is (b) wound into a Rutherford cable carrying a time-varying transport current, extra magnetizations present within the windings cause distortions of the otherwise uniform field. The static (persistent-current) strand magnetization can be reduced by reducing the filament diameter, and the residue compensated or corrected by strategically placed active or passive components. The cable’s interstrand coupling currents can be controlled by increasing the interstrand contact resistance by: adjusting the level of native oxidation of the strand, coating it, or by inserting a ribbon-like core into the cable itself. Methods of locally compensating the magnetization of NbTi and Nb 3Sn strand and cable are discussed, progress in coupling-current suppression through the use of coatings and cores is reviewed, and a method of simultaneously reducing both the static and dynamic magnetizations of a NbTi cable by means of a thin Ni core is suggested.

Projected Dipole Moments of Individual Two-Level Defects Extracted Using Circuit Quantum Electrodynamics.

PubMed

Sarabi, B; Ramanayaka, A N; Burin, A L; Wellstood, F C; Osborn, K D

2016-04-22

Material-based two-level systems (TLSs), appearing as defects in low-temperature devices including superconducting qubits and photon detectors, are difficult to characterize. In this study we apply a uniform dc electric field across a film to tune the energies of TLSs within. The film is embedded in a superconducting resonator such that it forms a circuit quantum electrodynamical system. The energy of individual TLSs is observed as a function of the known tuning field. By studying TLSs for which we can determine the tunneling energy, the actual p_{z}, dipole moments projected along the uniform field direction, are individually obtained. A distribution is created with 60 p_{z}. We describe the distribution using a model with two dipole moment magnitudes, and a fit yields the corresponding values p=p_{1}=2.8±0.2  D and p=p_{2}=8.3±0.4  D. For a strong-coupled TLS the vacuum-Rabi splitting can be obtained with p_{z} and tunneling energy. This allows a measurement of the circuit's zero-point electric-field fluctuations, in a method that does not need the electric-field volume.

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

Song, Kok Wee; Koshelev, Alexei E.

Electronic nematicity plays an important role in iron-based superconductors. These materials have a layered structure and the theoretical description of their magnetic and nematic transitions has been well established in the two-dimensional approximation, i.e., when the layers can be treated independently. However, the interaction between iron layers mediated by electron tunneling may cause nontrivial three-dimensional behavior. Starting from the simplest model for orbital nematic in a single layer, we investigate the influence of interlayer tunneling on the bulk nematic order and a possible preemptive state where this order is only formed near the surface. In addition, we found that themore » interlayer tunneling suppresses the bulk nematicity, which makes favorable the formation of a surface nematic order above the bulk transition temperature. The purely electronic tunneling Hamiltonian, however, favors a nematic order parameter that alternates from layer to layer. The uniform bulk state typically observed experimentally may be stabilized by the coupling with the elastic lattice deformation. Depending on the strength of this coupling, we found three regimes: (i) surface nematic and alternating bulk order, (ii) surface nematic and uniform bulk order, and (iii) uniform bulk order without the intermediate surface phase. Lastly, the intermediate surface-nematic state may resolve the current controversy about the existence of a weak nematic transition in the compound BaFe 2As 2-xP x .« less

Surface nematic order in iron pnictides

NASA Astrophysics Data System (ADS)

Song, Kok Wee; Koshelev, Alexei E.

2016-09-01

Electronic nematicity plays an important role in iron-based superconductors. These materials have a layered structure and the theoretical description of their magnetic and nematic transitions has been well established in the two-dimensional approximation, i.e., when the layers can be treated independently. However, the interaction between iron layers mediated by electron tunneling may cause nontrivial three-dimensional behavior. Starting from the simplest model for orbital nematic in a single layer, we investigate the influence of interlayer tunneling on the bulk nematic order and a possible preemptive state where this order is only formed near the surface. We found that the interlayer tunneling suppresses the bulk nematicity, which makes favorable the formation of a surface nematic order above the bulk transition temperature. The purely electronic tunneling Hamiltonian, however, favors a nematic order parameter that alternates from layer to layer. The uniform bulk state typically observed experimentally may be stabilized by the coupling with the elastic lattice deformation. Depending on the strength of this coupling, we found three regimes: (i) surface nematic and alternating bulk order, (ii) surface nematic and uniform bulk order, and (iii) uniform bulk order without the intermediate surface phase. The intermediate surface-nematic state may resolve the current controversy about the existence of a weak nematic transition in the compound BaFe2As2 -xPx .

Antenna radiation patterns in the whistler wave regime measured in a large laboratory plasma

NASA Technical Reports Server (NTRS)

Stenzel, R. L.

1976-01-01

Antenna radiation patterns of balanced electric dipoles and shielded magnetic loop antennas are obtained by measuring the relative wave amplitude with a small receiver antenna scanned around the exciter in a large uniform collisionless magnetized laboratory plasma in the whistler wave regime. The boundary effects are assumed to be negligible even for many farfield patterns. Characteristic differences are observed between electrically short and long antennas, the former exhibiting resonance cones and the latter showing dipole-like antenna patterns along the magnetic field. Resonance cones due to small electric dipoles and magnetic loops are observed in both the near zone and the far zone. A self-focusing process is revealed which produces a pencil-shaped field-aligned radiation pattern.

Microgravity Experiments to Evaluate Electrostatic Forces in Controlling Cohesion and Adhesion of Granular Materials

NASA Technical Reports Server (NTRS)

Marshall, J.; Weislogel, M.; Jacobson, T.

1999-01-01

The bulk behavior of dispersed, fluidized, or undispersed stationary granular systems cannot be fully understood in terms of adhesive/cohesive properties without understanding the role of electrostatic forces acting at the level of the grains themselves. When grains adhere to a surface, or come in contact with one another in a stationary bulk mass, it is difficult to measure the forces acting on the grains, and the forces themselves that induced the cohesion and adhesion are changed. Even if a single grain were to be scrutinized in the laboratory, it might be difficult, perhaps impossible, to define the distribution and character of surface charging and the three-dimensional relationship that charges (electrons, holes) have to one another. The hypothesis that we propose to test in microgravity (for dielectric materials) is that adhesion and cohesion of granular matter are mediated primarily by dipole forces that do not require the presence of a net charge; in fact, nominally electrically neutral materials should express adhesive and cohesive behavior when the neutrality results from a balance of positive and negative charge carriers. Moreover, the use of net charge alone as a measure of the electrical nature of grain-to-grain relationships within a granular mass may be misleading. We believe that the dipole forces arise from the presence of randomly-distributed positive and negative fixed charge carriers on grains that give rise to a resultant dipole moment. These dipole forces have long-range attraction. Random charges are created whenever there is triboelectrical activity of a granular mass, that is, whenever the grains experience contact/separation sequences or friction.

Surface nematic order in iron pnictides

DOE PAGES

Song, Kok Wee; Koshelev, Alexei E.

2016-09-09

Electronic nematicity plays an important role in iron-based superconductors. These materials have a layered structure and the theoretical description of their magnetic and nematic transitions has been well established in the two-dimensional approximation, i.e., when the layers can be treated independently. However, the interaction between iron layers mediated by electron tunneling may cause nontrivial three-dimensional behavior. Starting from the simplest model for orbital nematic in a single layer, we investigate the influence of interlayer tunneling on the bulk nematic order and a possible preemptive state where this order is only formed near the surface. In addition, we found that themore » interlayer tunneling suppresses the bulk nematicity, which makes favorable the formation of a surface nematic order above the bulk transition temperature. The purely electronic tunneling Hamiltonian, however, favors a nematic order parameter that alternates from layer to layer. The uniform bulk state typically observed experimentally may be stabilized by the coupling with the elastic lattice deformation. Depending on the strength of this coupling, we found three regimes: (i) surface nematic and alternating bulk order, (ii) surface nematic and uniform bulk order, and (iii) uniform bulk order without the intermediate surface phase. Lastly, the intermediate surface-nematic state may resolve the current controversy about the existence of a weak nematic transition in the compound BaFe 2As 2-xP x .« less

Adsorption of nonuniformly charged fullerene-like nanoparticles on planar polyelectrolyte brushes in aqueous solutions.

PubMed

Hu, Yiyu; Cao, Dapeng

2009-05-05

On the basis of the coarse grained model, we investigated the adsorption of nonuniformly charged fullerene-like nanoparticles on planar polyelectrolyte brushes (PEBs) in aqueous solution by using Brownian dynamics simulation. It is found that the electroneutral nanoparticles can be adsorbed by the PEB, which is attributed to the asymmetrical electrostatic interactions of the PEB with the positively charged sites and negatively charged sites of the fullerene-like nanoparticles. The simulation results indicated that the adsorption amount exhibits non-monotonic behavior with the dipole moment of nanoparticles. First, the adsorption amount increases with the dipole moment and then reaches the maximum at the dipole moment of micro = 10.45. Finally, the adsorption falls at the dipole moment of micro = 14.39. The reason may be that, at the extremely large dipole moment of micro = 14.39, the fullerene-like nanoparticles aggregate together to form a big cluster in the bulk phase, which can be confirmed by the extremely high peak in the radial distribution function between nanoparticles. Accordingly, it is difficult for nanoparticles to enter into the PEB at the dipole moment of micro = 14.39. In addition, it is also found that the brush grafting density is an important factor affecting the brush thickness.

Coherent Rayleigh-Brillouin scattering measurements of bulk viscosity of polar and nonpolar gases, and kinetic theory.

PubMed

Meijer, A S; de Wijn, A S; Peters, M F E; Dam, N J; van de Water, W

2010-10-28

We investigate coherent Rayleigh-Brillouin spectroscopy as an efficient process to measure the bulk viscosity of gases at gigahertz frequencies. Scattered spectral distributions are measured using a Fizeau spectrometer. We discuss the statistical error due to the fluctuating mode structure of the used pump laser. Experiments were done for both polar and nonpolar gases and the bulk viscosity was obtained from the spectra using the Tenti S6 model. Results are compared to simple classical kinetic models of molecules with internal degrees of freedom. At the extremely high (gigahertz) frequencies of our experiment, most internal vibrational modes remain frozen and the bulk viscosity is dominated by the rotational degrees of freedom. Our measurements show that the molecular dipole moments have unexpectedly little influence on the bulk viscosity at room temperature and moderate pressure.

Electric-dipole absorption resonating with longitudinal optical phonon-plasmon system and its effect on dispersion relations of interface phonon polariton modes in metal/semiconductor-stripe structures

NASA Astrophysics Data System (ADS)

Sakamoto, Hironori; Takeuchi, Eito; Yoshida, Kouki; Morita, Ken; Ma, Bei; Ishitani, Yoshihiro

2018-01-01

Interface phonon polaritons (IPhPs) in nano-structures excluding metal components are thoroughly investigated because they have lower loss in optical emission or absorption and higher quality factors than surface plasmon polaritons. In previous reports, it is found that strong infrared (IR) absorption is based on the interaction of p-polarized light and materials, and the resonance photon energy highly depends on the structure size and angle of incidence. We report the optical absorption by metal/semiconductor (bulk-GaAs and thin film-AlN)-stripe structures in THz to mid-IR region for the electric field of light perpendicular to the stripes, where both of s- and p-polarized light are absorbed. The absorption resonates with longitudinal optical (LO) phonon or LO phonon-plasmon coupling (LOPC) modes, and thus is independent of the angle of incidence or structure size. This absorption is attributed to the electric dipoles by the optically induced polarization charges at the metal/semiconductor, heterointerfaces, or interfaces of high electron density layers and depression ones. The electric permittivity is modified by the formation of these dipoles. It is found to be indispensable to utilize our form of altered permittivity to explain the experimental dispersion relations of metal/semiconductor-IPhP and SPhP in these samples. This analysis reveals that the IPhPs in the stripe structures of metal/AlN-film on a SiC substrate are highly confined in the AlN film, while the permittivity of the structures of metal/bulk-GaAs is partially affected by the electric-dipoles. The quality factors of the electric-dipole absorption are found to be 42-54 for undoped samples, and the value of 62 is obtained for Al/AlN-IPhP. It is thought that metal-contained structures are not obstacles to mode energy selectivity in phonon energy region of semiconductors.

Dielectric properties of crystalline organic molecular films in the limit of zero overlap

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

D’Avino, Gabriele, E-mail: gabriele.davino@gmail.com; Vanzo, Davide; Soos, Zoltán G., E-mail: soos@princeton.edu

2016-01-21

We present the calculation of the static dielectric susceptibility tensor and dipole field sums in thin molecular films in the well-defined limit of zero intermolecular overlap. Microelectrostatic and charge redistribution approaches are applied to study the evolution of dielectric properties from one to a few molecular layers in films of different conjugated molecules with organic electronics applications. Because of the conditional convergence of dipolar interactions, dipole fields depend on the shape of the sample and different values are found in the middle layer of a thick film and in the bulk. The shape dependence is eliminated when depolarization is takenmore » into account, and the dielectric tensor of molecular films converges to the bulk limit within a few molecular layers. We quantify the magnitude of surface effects and interpret general trends among different systems in terms of molecular properties, such as shape, polarizability anisotropy, and supramolecular organization. A connection between atomistic models for molecular dielectrics and simpler theories for polarizable atomic lattices is also provided.« less

Giant Dipole Resonance in light and heavy nuclei beyond selfconsistent mean field theory

NASA Astrophysics Data System (ADS)

Krewald, Siegfried; Lyutorovich, Nikolay; Tselyaev, Victor; Speth, Josef; Gruemmer, Frank; Reinhard, Paul-Gerhard

2012-10-01

While bulk properties of stable nuclei are successfully reproduced by mean-field theories employing effective interactions, the dependence of the centroid energy of the electric giant dipole resonance on the nucleon number A is not. This problem is cured by considering many-particle correlations beyond mean-field theory, which we do within a selfconsistent generalization of the Quasiparticle Time Blocking Approximation [1,2]. The electric giant dipole resonances in ^16O, ^40Ca, and ^208Pb are calculated using two new Skyrme interactions. Perspectives for an extension to effective field theories[3] are discussed.[4pt] [1] V. Tselyaev et al., Phys.Rev.C75, 014315(2007).[0pt] [2] N. Lyutorovich et al., submitted to Phys.Rev.Lett.[0pt] [3] S. Krewald et al., Prog.Part.Nucl.Phys.67, 322(2012).

The dipole anisotropy of AllWISE galaxies

NASA Astrophysics Data System (ADS)

Rameez, M.; Mohayaee, R.; Sarkar, S.; Colin, J.

2018-06-01

We determine the dipole in the WISE (Wide Infrared Satellite Explorer) galaxy catalogue. After reducing star contamination to < 0.1 per cent by rejecting sources with high apparent motion and those close to the Galactic plane, we eliminate low redshift sources to suppress the non-kinematic, clustering dipole. We remove sources within ±5° of the supergalactic plane, as well as those within 1ʺ of 2MRS sources at redshift z < 0.03. We enforce cuts on the source angular extent to preferentially select distant ones. As we progress along these steps, the dipole converges in direction to within 5° of the Cosmic Microwave Background (CMB) dipole and its magnitude also progressively reduces but stabilizes at ˜0.012, corresponding to a velocity >1000 km s-1 if it is solely of kinematic origin. However, previous studies have shown that only ˜ 70 per cent of the velocity of the Local Group as inferred from the CMB dipole is due to sources at z < 0.03. We examine the Dark Sky simulations to quantify the prevalence of such environments and find that <2.1 per cent of Milky Way-like observers in a ΛCDM universe should observe the bulk flow (>240 km s-1 extending to z > 0.03) that we do. We construct mock catalogues in the neighbourhood of such peculiar observers in order to mimic our final galaxy selection and quantify the residual clustering dipole. After subtracting this, the remaining dipole is 0.0048 ± 0.0022, corresponding to a velocity of 420 ± 213 km s-1, which is consistent with the CMB. However, the sources (at z > 0.03) of such a large clustering dipole remain to be identified.

Helicon modes in uniform plasmas. I. Low m modes

NASA Astrophysics Data System (ADS)

Urrutia, J. M.; Stenzel, R. L.

2015-09-01

Helicons are whistler modes with azimuthal wave numbers. They arise in bounded gaseous and solid state plasmas, but the present work shows that very similar modes also exist in unbounded uniform plasmas. The antenna properties determine the mode structure. A simple antenna is a magnetic loop with dipole moment aligned either along or across the ambient background magnetic field B0. For such configurations, the wave magnetic field has been measured in space and time in a large and uniform laboratory plasma. The observed wave topology for a dipole along B0 is similar to that of an m = 0 helicon mode. It consists of a sequence of alternating whistler vortices. For a dipole across B0, an m = 1 mode is excited which can be considered as a transverse vortex which rotates around B0. In m = 0 modes, the field lines are confined to each half-wavelength vortex while for m = 1 modes they pass through the entire wave train. A subset of m = 1 field lines forms two nested helices which rotate in space and time like corkscrews. Depending on the type of the antenna, both m = + 1 and m = -1 modes can be excited. Helicons in unbounded plasmas also propagate transverse to B0. The transverse and parallel wave numbers are about equal and form oblique phase fronts as in whistler Gendrin modes. By superimposing small amplitude fields of several loop antennas, various antenna combinations have been created. These include rotating field antennas, helical antennas, and directional antennas. The radiation efficiency is quantified by the radiation resistance. Since helicons exist in unbounded laboratory plasmas, they can also arise in space plasmas.

Anisotropic properties of phase separation in two-component dipolar Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Wang, Wei; Li, Jinbin

2018-03-01

Using Crank-Nicolson method, we calculate ground state wave functions of two-component dipolar Bose-Einstein condensates (BECs) and show that, due to dipole-dipole interaction (DDI), the condensate mixture displays anisotropic phase separation. The effects of DDI, inter-component s-wave scattering, strength of trap potential and particle numbers on the density profiles are investigated. Three types of two-component profiles are present, first cigar, along z-axis and concentric torus, second pancake (or blood cell), in xy-plane, and two non-uniform ellipsoid, separated by the pancake and third two dumbbell shapes.

Measured acoustic properties of variable and low density bulk absorbers

NASA Technical Reports Server (NTRS)

Dahl, M. D.; Rice, E. J.

1985-01-01

Experimental data were taken to determine the acoustic absorbing properties of uniform low density and layered variable density samples using a bulk absober with a perforated plate facing to hold the material in place. In the layered variable density case, the bulk absorber was packed such that the lowest density layer began at the surface of the sample and progressed to higher density layers deeper inside. The samples were placed in a rectangular duct and measurements were taken using the two microphone method. The data were used to calculate specific acoustic impedances and normal incidence absorption coefficients. Results showed that for uniform density samples the absorption coefficient at low frequencies decreased with increasing density and resonances occurred in the absorption coefficient curve at lower densities. These results were confirmed by a model for uniform density bulk absorbers. Results from layered variable density samples showed that low frequency absorption was the highest when the lowest density possible was packed in the first layer near the exposed surface. The layers of increasing density within the sample had the effect of damping the resonances.

Electromagnetic Fields of a Uniform Sphere in a Uniform Conducting Medium with Application to Dipole Sources

DTIC Science & Technology

1991-09-01

12b. DISTRIBUTION CODE Approved for public release; distribution is unlimited. 13. ABSTRACT (Maximum 200 words) Vector spherical harmonic expansions are...electric and magnetic field vectors from E rand B - r alone. Genural expressions are given relating the scattered field expansion coefficients to the source...Prescnbed by ANSI Std. Z39-18 29W-102 NCSC TR 426-90 CONTENTS Pag o INTRODUCTION 1 BACKGROUND 1 ANGULAR MOMENTUM OPERATOR AND VECTOR SPHERICAL

Hydrogen bonded structure, polarity, molecular motion and frequency fluctuations at liquid-vapor interface of a water-methanol mixture: an ab initio molecular dynamics study.

PubMed

Choudhuri, Jyoti Roy; Chandra, Amalendu

2014-10-07

We have performed ab initio molecular dynamics simulations of a liquid-vapor interfacial system consisting of a mixture of water and methanol molecules. Detailed results are obtained for the structural and dynamical properties of the bulk and interfacial regions of the mixture. Among structural properties, we have looked at the inhomogeneous density profiles of water and methanol molecules, hydrogen bond distributions and also the orientational profiles of bulk and interfacial molecules. The methanol molecules are found to have a higher propensity to be at the interface than water molecules. It is found that the interfacial molecules show preference for specific orientations so as to form water-methanol hydrogen bonds at the interface with the hydrophobic methyl group pointing towards the vapor side. It is also found that for both types of molecules, the dipole moment decreases at the interface. It is also found that the local electric field of water influences the dipole moment of methanol molecules. Among the dynamical properties, we have calculated the diffusion, orientational relaxation, hydrogen bond dynamics, and vibrational frequency fluctuations in bulk and interfacial regions. It is found that the diffusion and orientation relaxation of the interfacial molecules are faster than those of the bulk. However, the hydrogen bond lifetimes are longer at the interface which can be correlated with the time scales found from the decay of frequency time correlations. The slower hydrogen bond dynamics for the interfacial molecules with respect to bulk can be attributed to diminished cooperative effects at the interface due to reduced density and number of hydrogen bonds.

Recent developments in melt processed Gd-123 and MgB2 materials at RTRI

NASA Astrophysics Data System (ADS)

Muralidhar, M.; Fukumoto, Y.; Ishihara, A.; Suzuki, K.; Tomita, M.; Koblischka, M. R.; Yamamoto, A.; Kishio, K.

2014-01-01

In this contribution we will report on the current status, recent developments in GdBa2Cu3Oy "Gd-123" and MgB2 material processing, characterization, and applications at the Railway Technical Research Institute (RTRI). Batch-processing of Gd-123 bulk material grown in air was performed using novel thin film Nd-123 seeds grown on MgO crystals. In this way, we are able to fabricate materials with good quality, and uniform performance. We examined the technology of the uniform performance of the large 45 mm diameter, single grain Gd-123 bulks for use in application of NMR. For this purpose, four 5 mm thick pieces are cut vertically from a single grain Gd-123 material and the magnetic field distribution is measured using a scanning hall sensor. We found that all four pieces are single domain and exhibit a quite uniform field distribution. Furthermore, the batch-processed bulk materials are used for the construction of a chilled Maglev vehicle. On the other hand, to optimize the trapped field performance of bulk MgB2 material, several samples were prepared by solid state reaction at different temperatures ranging from 750 to 950 °C in pure argon atmosphere. X-ray diffraction results indicated that single phase and homogenous MgB2 bulks are produced when sintering them around 775 °C. Further, atomic force microscopy (AFM) and scanning electron microscopy (SEM) indicated that an uniform grain size results by controlling the processing temperature. So, higher trapped fields can be achieved in sintered MgB2 material.

Structural characteristics of liquid nitromethane at the nanoscale confinement in carbon nanotubes.

PubMed

Liu, Yingzhe; Lai, Weipeng; Yu, Tao; Ge, Zhongxue; Kang, Ying

2014-10-01

The stability of energetic materials confined in the carbon nanotubes can be improved at ambient pressure and room temperature, leading to potential energy storage and controlled energy release. However, the microscopic structure of confined energetic materials and the role played by the confinement size are still fragmentary. In this study, molecular dynamics simulations have been performed to explore the structural characteristics of liquid nitromethane (NM), one of the simplest energetic materials, confined in a series of armchair single-walled carbon nanotubes (SWNTs) changing from (5,5) to (16,16) at ambient conditions. The simulation results show that the size-dependent ordered structures of NM with preferred orientations are formed inside the tubular cavities driven by the van der Waals attractions between NM and SWNT together with the dipole-dipole interactions of NM, giving rise to a higher local mass density than that of bulk NM. The NM dipoles prefer to align parallel along the SWNT axis in an end-to-end fashion inside all the nanotubes except the (7,7) SWNT where a unique staggered orientation of NM dipoles perpendicular to the SWNT axis is observed. As the SWNT radius increases, the structural arrangements and dipole orientations of NM become disordered as a result of the weakening of van der Waals interactions between NM and SWNT.

The impact of electrostatic correlations on Dielectrophoresis of Non-conducting Particles

NASA Astrophysics Data System (ADS)

Alidoosti, Elaheh; Zhao, Hui

2017-11-01

The dipole moment of a charged, dielectric, spherical particle under the influence of a uniform alternating electric field is computed theoretically and numerically by solving the modified continuum Poisson-Nernst-Planck (PNP) equations accounting for ion-ion electrostatic correlations that is important at concentrated electrolytes (Phys. Rev. Lett. 106, 2011). The dependence on the frequency, zeta potential, electrostatic correlation lengths, and double layer thickness is thoroughly investigated. In the limit of thin double layers, we carry out asymptotic analysis to develop simple models which are in good agreement with the modified PNP model. Our results suggest that the electrostatic correlations have a complicated impact on the dipole moment. As the electrostatic correlations length increases, the dipole moment decreases, initially, reach a minimum, and then increases since the surface conduction first decreases and then increases due to the ion-ion correlations. The modified PNP model can improve the theoretical predictions particularly at low frequencies where the simple model can't qualitatively predict the dipole moment. This work was supported, in part, by NIH R15GM116039.

Anomalous center of mass shift: gravitational dipole moment.

NASA Astrophysics Data System (ADS)

Jeong, Eue Jin

1997-02-01

The anomalous, energy dependent shift of the center of mass of an idealized, perfectly rigid, uniformly rotating hemispherical shell which is caused by the relativistic mass increase effect is investigated in detail. It is shown that a classical object on impact which has the harmonic binding force between the adjacent constituent particles has the similar effect of the energy dependent, anomalous shift of the center of mass. From these observations, the general mode of the linear acceleration is suggested to be caused by the anomalous center of mass shift whether it's due to classical or relativistic origin. The effect of the energy dependent center of mass shift perpendicular to the plane of rotation of a rotating hemisphere appears as the non zero gravitational dipole moment in general relativity. Controlled experiment for the measurement of the gravitational dipole field and its possible links to the cylindrical type line formation of a worm hole in the extreme case are suggested. The jets from the black hole accretion disc and the observed anomalous red shift from far away galaxies are considered to be the consequences of the two different aspects of the dipole gravity.

Motion induced second order temperature and y-type anisotropies after the subtraction of linear dipole in the CMB maps

NASA Astrophysics Data System (ADS)

Sunyaev, Rashid A.; Khatri, Rishi

2013-03-01

y-type spectral distortions of the cosmic microwave background allow us to detect clusters and groups of galaxies, filaments of hot gas and the non-uniformities in the warm hot intergalactic medium. Several CMB experiments (on small areas of sky) and theoretical groups (for full sky) have recently published y-type distortion maps. We propose to search for two artificial hot spots in such y-type maps resulting from the incomplete subtraction of the effect of the motion induced dipole on the cosmic microwave background sky. This dipole introduces, at second order, additional temperature and y-distortion anisotropy on the sky of amplitude few μK which could potentially be measured by Planck HFI and Pixie experiments and can be used as a source of cross channel calibration by CMB experiments. This y-type distortion is present in every pixel and is not the result of averaging the whole sky. This distortion, calculated exactly from the known linear dipole, can be subtracted from the final y-type maps, if desired.

Motion induced second order temperature and y-type anisotropies after the subtraction of linear dipole in the CMB maps

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

Sunyaev, Rashid A.; Khatri, Rishi, E-mail: sunyaev@mpa-garching.mpg.de, E-mail: khatri@mpa-garching.mpg.de

2013-03-01

y-type spectral distortions of the cosmic microwave background allow us to detect clusters and groups of galaxies, filaments of hot gas and the non-uniformities in the warm hot intergalactic medium. Several CMB experiments (on small areas of sky) and theoretical groups (for full sky) have recently published y-type distortion maps. We propose to search for two artificial hot spots in such y-type maps resulting from the incomplete subtraction of the effect of the motion induced dipole on the cosmic microwave background sky. This dipole introduces, at second order, additional temperature and y-distortion anisotropy on the sky of amplitude few μKmore » which could potentially be measured by Planck HFI and Pixie experiments and can be used as a source of cross channel calibration by CMB experiments. This y-type distortion is present in every pixel and is not the result of averaging the whole sky. This distortion, calculated exactly from the known linear dipole, can be subtracted from the final y-type maps, if desired.« less

Gyrokinetic simulations of turbulent transport in a ring dipole plasma.

PubMed

Kobayashi, Sumire; Rogers, Barrett N; Dorland, William

2009-07-31

Gyrokinetic flux-tube simulations of turbulent transport due to small-scale entropy modes are presented in a ring-dipole magnetic geometry relevant to the Columbia-MIT levitated dipole experiment (LDX) [J. Kesner, Plasma Phys. J. 23, 742 (1997)]. Far from the current ring, the dipolar magnetic field leads to strong parallel variations, while close to the ring the system becomes nearly uniform along circular magnetic field lines. The transport in these two limits are found to be quantitatively similar given an appropriate normalization based on the local out-board parameters. The transport increases strongly with the density gradient, and for small eta=L(n)/L(T)<1, T(i) approximately T(e), and typical LDX parameters, can reach large levels. Consistent with linear theory, temperature gradients are stabilizing, and for T(i) approximately T(e) can completely cut off the transport when eta greater or similar to 0.6.

Hairy strings

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

Sahakian, Vatche

Zero modes of the world-sheet spinors of a closed string can source higher order moments of the bulk supergravity fields. In this work, we analyze various configurations of closed strings focusing on the imprints of the quantized spinor vacuum expectation values onto the tails of bulk fields. We identify supersymmetric arrangements for which all multipole charges vanish; while for others, we find that one is left with Neveu-Schwarz-Neveu-Schwarz, and Ramond-Ramond dipole and quadrupole moments. Our analysis is exhaustive with respect to all the bosonic fields of the bulk and to all higher order moments. We comment on the relevance ofmore » these results to entropy computations of hairy black holes of a single charge or more, and to open/closed string duality.« less

Atomistic determination of flexoelectric properties of crystalline dielectrics

NASA Astrophysics Data System (ADS)

Maranganti, R.; Sharma, P.

2009-08-01

Upon application of a uniform strain, internal sublattice shifts within the unit cell of a noncentrosymmetric dielectric crystal result in the appearance of a net dipole moment: a phenomenon well known as piezoelectricity. A macroscopic strain gradient on the other hand can induce polarization in dielectrics of any crystal structure, even those which possess a centrosymmetric lattice. This phenomenon, called flexoelectricity, has both bulk and surface contributions: the strength of the bulk contribution can be characterized by means of a material property tensor called the bulk flexoelectric tensor. Several recent studies suggest that strain-gradient induced polarization may be responsible for a variety of interesting and anomalous electromechanical phenomena in materials including electromechanical coupling effects in nonuniformly strained nanostructures, “dead layer” effects in nanocapacitor systems, and “giant” piezoelectricity in perovskite nanostructures among others. In this work, adopting a lattice dynamics based microscopic approach we provide estimates of the flexoelectric tensor for certain cubic crystalline ionic salts, perovskite dielectrics, III-V and II-VI semiconductors. We compare our estimates with experimental/theoretical values wherever available and also revisit the validity of an existing empirical scaling relationship for the magnitude of flexoelectric coefficients in terms of material parameters. It is interesting to note that two independent groups report values of flexoelectric properties for perovskite dielectrics that are orders of magnitude apart: Cross and co-workers from Penn State have carried out experimental studies on a variety of materials including barium titanate while Catalan and co-workers from Cambridge used theoretical ab initio techniques as well as experimental techniques to study paraelectric strontium titanate as well as ferroelectric barium titanate and lead titanate. We find that, in the case of perovskite dielectrics, our estimates agree to an order of magnitude with the experimental and theoretical estimates for strontium titanate. For barium titanate however, while our estimates agree to an order of magnitude with existing ab initio calculations, there exists a large discrepancy with experimental estimates. The possible reasons for the observed deviations are discussed.

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

Wick, Collin D.; Dang, Liem X.

NaCl pairing and dissociation was investigated at the CCl 4-water and 1,2-dichloroethane (DCE)-water interfaces, and compared with dissociation results in the bulk and at the air-water interface utilizing polarizable potentials. The transition path sampling methodology was used to calculate the rate constant for dissociation, while umbrella sampling was used to map out a free energy profile for NaCl dissociation. The results found that ion pairing was weakest at the organic-water interfaces, even weaker than in the water bulk. This is in contrast to what has been observed previously for the air-water interface, in which NaCl ion paring is stronger thanmore » in the bulk [Wick, C.D. J. Phys. Chem. C, 2009, 113, 6356]. The consequence of the weaker binding at the organic-water interfaces was that ion dissociation was faster than in the other systems studied. Interactions of the organic phase with the ions influenced the magnitude of the Cl - dipole moment, and at the organic-water interfaces, the average Cl - dipole was found to be lower than at the air-water interface, weakening interactions with Na +. Work was performed at the Pacific Northwest National Laboratory (PNNL) was supported by the Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy (DOE). PNNL is operated by Battelle for the DOE.« less

Surface Majorana fermions and bulk collective modes in superfluid 3He-B

NASA Astrophysics Data System (ADS)

Park, YeJe; Chung, Suk Bum; Maciejko, Joseph

2015-02-01

The theoretical study of topological superfluids and superconductors has so far been carried out largely as a translation of the theory of noninteracting topological insulators into the superfluid language, whereby one replaces electrons by Bogoliubov quasiparticles and single-particle band Hamiltonians by Bogoliubov-de Gennes Hamiltonians. Band insulators and superfluids are, however, fundamentally different: While the former exist in the absence of interparticle interactions, the latter are broken symmetry states that owe their very existence to such interactions. In particular, unlike the static energy gap of a band insulator, the gap in a superfluid is due to a dynamical order parameter that is subject to both thermal and quantum fluctuations. In this work, we explore the consequences of bulk quantum fluctuations of the order parameter in the B phase of superfluid 3He on the topologically protected Majorana surface states. Neglecting the high-energy amplitude modes, we find that one of the three spin-orbit Goldstone modes in 3He-B couples to the surface Majorana fermions. This coupling in turn induces an effective short-range two-body interaction between the Majorana fermions, with coupling constant inversely proportional to the strength of the nuclear dipole-dipole interaction in bulk 3He. A mean-field theory suggests that the surface Majorana fermions in 3He-B may be in the vicinity of a metastable gapped time-reversal-symmetry-breaking phase.

Correlation Between Bulk Material Defects and Spectroscopic Response in Cadmium Zinc Telluride Detectors

NASA Technical Reports Server (NTRS)

Parker, Bradford H.; Stahle, C. M.; Barthelmy, S. D.; Parsons, A. M.; Tueller, J.; VanSant, J. T.; Munoz, B. F.; Snodgrass, S. J.; Mullinix, R. E.

1999-01-01

One of the critical challenges for large area cadmium zinc telluride (CdZnTe) detector arrays is obtaining material capable of uniform imaging and spectroscopic response. Two complementary nondestructive techniques for characterizing bulk CdZnTe have been developed to identify material with a uniform response. The first technique, infrared transmission imaging, allows for rapid visualization of bulk defects. The second technique, x-ray spectral mapping, provides a map of the material spectroscopic response when it is configured as a planar detector. The two techniques have been used to develop a correlation between bulk defect type and detector performance. The correlation allows for the use of infrared imaging to rapidly develop wafer mining maps. The mining of material free of detrimental defects has the potential to dramatically increase the yield and quality of large area CdZnTe detector arrays.

Aqueous solvation of polyalanine α-helices with specific water molecules and with the CPCM and SM5.2 aqueous continuum models using density functional theory.

PubMed

Marianski, Mateusz; Dannenberg, J J

2012-02-02

We present density functional theory (DFT) calculations at the X3LYP/D95(d,p) level on the solvation of polyalanine α-helices in water. The study includes the effects of discrete water molecules and the CPCM and AMSOL SM5.2 solvent continuum model both separately and in combination. We find that individual water molecules cooperatively hydrogen-bond to both the C- and N-termini of the helix, which results in increases in the dipole moment of the helix/water complex to more than the vector sum of their individual dipole moments. These waters are found to be more stable than in bulk solvent. On the other hand, individual water molecules that interact with the backbone lower the dipole moment of the helix/water complex to below that of the helix itself. Small clusters of waters at the termini increase the dipole moments of the helix/water aggregates, but the effect diminishes as more waters are added. We discuss the somewhat complex behavior of the helix with the discrete waters in the continuum models.

Aqueous Solvation of Polyalanine α-Helices with Specific Water Molecules and with the CPCM and SM5.2 Aqueous Continuum Models using Density Functional Theory

PubMed Central

Marianski, Mateusz

2012-01-01

We present density functional theory (DFT) calculations at the X3LYP/D95(d,p) level on the solvation of polyalanine α-helices in water. The study includes the effects of discrete water molecules and the CPCM and AMSOL SM5.2 solvent continuum model both separately and in combination. We find that individual water molecules cooperatively hydrogen-bond to both the C- and N-termini of the helix, which results in increases in the dipole moment of the helix/water complex to more than the vector sum of their individual dipole moments. These waters are found to be more stable than in bulk solvent. On the other hand, individual water that interact with the backbone lower the dipole moment of the helix/water complex to below that of the helix, itself. Small clusters of waters at the termini increase the dipole moments of the helix/water aggregates, but the effect diminishes as more waters are added. We discuss the somewhat complex behavior of the helix with the discrete waters in the continuum models. PMID:22201227

Superconducting Sphere in an External Magnetic Field Revisited

ERIC Educational Resources Information Center

Sazonov, Sergey N.

2013-01-01

The purpose of this article is to give the intelligible procedure for undergraduate students to grasp proof of the fact that the magnetic field outside the hollow superconducting sphere (superconducting shell) coincides with the field of a point magnetic dipole both when an uniform external magnetic field is applied as when a ferromagnetic sphere…

Laboratory Evaluation of Remediation Alternatives for U.S. Coast Guard Small Arms Firing Ranges

DTIC Science & Technology

1999-11-01

S) is an immobilization process that involves the mixing of a contaminated soil with a binder material to enhance the physical and chemical...samples were shipped to WES for laboratory analysis. Phase III: Homogenization of the Bulk Samples. Each of the bulk samples was separately mixed to...produce uniform samples for testing. These mixed bulk soil samples were analyzed for metal content. Phase IV: Characterization of the Bulk Soils

Study on photoemission surface of varied doping GaN photocathode

NASA Astrophysics Data System (ADS)

Qiao, Jianliang; Du, Ruijuan; Ding, Huan; Gao, Youtang; Chang, Benkang

2014-09-01

For varied doping GaN photocathode, from bulk to surface the doping concentrations are distributed from high to low. The varied doping GaN photocathode may produce directional inside electric field within the material, so the higher quantum efficiency can be obtained. The photoemission surface of varied doping GaN photocathode is very important to the high quantum efficiency, but the forming process of the surface state after Cs activation or Cs/O activation has been not known completely. Encircling the photoemission mechanism of varied GaN photocathode, considering the experiment phenomena during the activation and the successful activation results, the varied GaN photocathode surface model [GaN(Mg):Cs]:O-Cs after activation with cesium and oxygen was given. According to GaN photocathode activation process and the change of electronic affinity, the comparatively ideal NEA property can be achieved by Cs or Cs/O activation, and higher quantum efficiency can be obtained. The results show: The effective NEA characteristic of GaN can be gotten only by Cs. [GaN(Mg):Cs] dipoles form the first dipole layer, the positive end is toward the vacuum side. In the activation processing with Cs/O, the second dipole layer is formed by O-Cs dipoles, A O-Cs dipole includes one oxygen atom and two Cs atoms, and the positive end is also toward the vacuum side thus the escape of electrons can be promoted.

Heat Treatment Optimization of Rutherford Cables for a 15 T Nb 3Sn Dipole Demonstrator

DOE PAGES

Barzi, Emanuela; Bossert, Marianne; Field, Michael; ...

2017-01-09

FNAL has been developing a 15 T Nb 3Sn dipole demonstrator for a future Very High Energy pp Collider based on an optimized 60-mm aperture 4-layer “cos-theta” coil. In order to increase magnet efficiency, we graded the coil by using two cables with same 15 mm width and different thicknesses made of two different Restacked Rod Process (RRP®) wires. Due to the non-uniform field distribution in dipole coils the maximum field in the inner coil will reach 15-16 T, whereas the maximum field in the outer coil is 12-13 T. In preparation for the 15 T dipole coil reaction, heatmore » treatment studies were performed on strands extracted from these cables with the goal of achieving the best coil performance in the corresponding magnetic fields. Particularly, the effect of maximum temperature and time on the cable critical current was studied to take into account actual variations of these parameters during coil reaction. In parallel and in collaboration with OST, development was performed on optimizing Nb 3Sn RRP® wire design and layout. Index Terms— Accelerator magnet, critical current density, Nb 3Sn strand, Rutherford cable.« less

The sound field of a rotating dipole in a plug flow.

PubMed

Wang, Zhao-Huan; Belyaev, Ivan V; Zhang, Xiao-Zheng; Bi, Chuan-Xing; Faranosov, Georgy A; Dowell, Earl H

2018-04-01

An analytical far field solution for a rotating point dipole source in a plug flow is derived. The shear layer of the jet is modelled as an infinitely thin cylindrical vortex sheet and the far field integral is calculated by the stationary phase method. Four numerical tests are performed to validate the derived solution as well as to assess the effects of sound refraction from the shear layer. First, the calculated results using the derived formulations are compared with the known solution for a rotating dipole in a uniform flow to validate the present model in this fundamental test case. After that, the effects of sound refraction for different rotating dipole sources in the plug flow are assessed. Then the refraction effects on different frequency components of the signal at the observer position, as well as the effects of the motion of the source and of the type of source are considered. Finally, the effect of different sound speeds and densities outside and inside the plug flow is investigated. The solution obtained may be of particular interest for propeller and rotor noise measurements in open jet anechoic wind tunnels.

Beamforming strategy of ULA and UCA sensor configuration in multistatic passive radar

NASA Astrophysics Data System (ADS)

Hossa, Robert

2009-06-01

A Beamforming Network (BN) concept of Uniform Linear Array (ULA) and Uniform Circular Array (UCA) dipole configuration designed to multistatic passive radar is considered in details. In the case of UCA configuration, computationally efficient procedure of beamspace transformation from UCA to virtual ULA configuration with omnidirectional coverage is utilized. If effect, the idea of the proposed solution is equivalent to the techniques of antenna array factor shaping dedicated to ULA structure. Finally, exemplary results from the computer software simulations of elaborated spatial filtering solutions to reference and surveillance channels are provided and discussed.

Ferroelectric hydration shells around proteins: electrostatics of the protein-water interface.

PubMed

LeBard, David N; Matyushov, Dmitry V

2010-07-22

Numerical simulations of hydrated proteins show that protein hydration shells are polarized into a ferroelectric layer with large values of the average dipole moment magnitude and the dipole moment variance. The emergence of the new polarized mesophase dramatically alters the statistics of electrostatic fluctuations at the protein-water interface. The linear response relation between the average electrostatic potential and its variance breaks down, with the breadth of the electrostatic fluctuations far exceeding the expectations of the linear response theories. The dynamics of these non-Gaussian electrostatic fluctuations are dominated by a slow (approximately = 1 ns) component that freezes in at the temperature of the dynamical transition of proteins. The ferroelectric shell propagates 3-5 water diameters into the bulk.

Ordered and layered structure of liquid nitromethane within a graphene bilayer: toward stabilization of energetic materials through nanoscale confinement.

PubMed

Liu, Yingzhe; Yu, Tao; Lai, Weipeng; Kang, Ying; Ge, Zhongxue

2015-03-01

The structural characteristics involving thermal stabilities of liquid nitromethane (NM)—one of the simplest energetic materials—confined within a graphene (GRA) bilayer were investigated by means of all-atom molecular dynamics simulations and density functional theory calculations. The results show that ordered and layered structures are formed at the confinement of the GRA bilayer induced by the van der Waals attractions of NM with GRA and the dipole-dipole interactions of NM, which is strongly dependent on the confinement size, i.e., the GRA bilayer distance. These unique intermolecular arrangements and preferred orientations of confined NM lead to higher stabilities than bulk NM revealed by bond dissociation energy calculations.

''Tilting'' the universe with the landscape multiverse: the dark flow

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

Mersini-Houghton, L.; Holman, R., E-mail: mersini@physics.unc.edu, E-mail: rh4a@andrew.cmu.edu

2009-02-15

We argue that the recent observations of large scale bulk flows by Kashlinsky et al. has a natural explanation in terms of superhorizon inhomogeneities induced by nonlocal entanglement of our Hubble volume with modes and domains beyond the horizon. This entanglement gives rise to corrections to the Newtonian potential on a characteristic scale L{sub 1} {approx_equal} 10{sup 3}H{sup -1}, and it induces a dipole and quadrupole contribution in the CMB. We also show that these induced multipoles are aligned with each other, with the alignment axis normal to their plane being oriented along the preferred frame determined by the dipole.more » We also give other potential tests of our hypothesis.« less

Exploiting the flexibility and the polarization of ferroelectric perovskite surfaces to achieve efficient photochemistry and enantiospecificity

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

Rappe, Andrew

This research project explored the catalytic properties of complex surfaces of functional materials. The PI used first-principles density functional theory (DFT) calculations to explore a tightly integrated set of properties. The physical properties of complex functional materials that influence surface chemistry were explored, including bulk and surface electric dipoles, and surface conductivity. The energetic, compositional, electronic, and chemical properties of the surfaces of these materials were explored in detail, and connections between material properties and chemical reactivity were established. This project led to 28 publications, including Nat. Comm., JACS, 3 PRL, 7 PRB, 2 ACS Nano, 2 Nano Lett., 4more » JPCL, 2 JCP, Chem. Mater., ACS Appl. Mater. Interfaces, Phys. Rev. Appl., and a U.S. Patent on surface catalysts. The key accomplishments in this project involved work in six coordinated areas: pioneering ways to control bulk dipoles in order to dynamically affect catalysis, exploring novel ways of bringing charge to the surface for redox catalysis, nonstoichiometric surfaces offering new sites for heterogeneous catalysis, illustrating how surface catalysis responds to applied pressure, catalytic growth of carbon-based materials, and new computational methods allowing more accurate exploration of molecule-surface interactions« less

A density functional approach to ferrogels

NASA Astrophysics Data System (ADS)

Cremer, P.; Heinen, M.; Menzel, A. M.; Löwen, H.

2017-07-01

Ferrogels consist of magnetic colloidal particles embedded in an elastic polymer matrix. As a consequence, their structural and rheological properties are governed by a competition between magnetic particle-particle interactions and mechanical matrix elasticity. Typically, the particles are permanently fixed within the matrix, which makes them distinguishable by their positions. Over time, particle neighbors do not change due to the fixation by the matrix. Here we present a classical density functional approach for such ferrogels. We map the elastic matrix-induced interactions between neighboring colloidal particles distinguishable by their positions onto effective pairwise interactions between indistinguishable particles similar to a ‘pairwise pseudopotential’. Using Monte-Carlo computer simulations, we demonstrate for one-dimensional dipole-spring models of ferrogels that this mapping is justified. We then use the pseudopotential as an input into classical density functional theory of inhomogeneous fluids and predict the bulk elastic modulus of the ferrogel under various conditions. In addition, we propose the use of an ‘external pseudopotential’ when one switches from the viewpoint of a one-dimensional dipole-spring object to a one-dimensional chain embedded in an infinitely extended bulk matrix. Our mapping approach paves the way to describe various inhomogeneous situations of ferrogels using classical density functional concepts of inhomogeneous fluids.

Saturn's Magnetic Field and Magnetosphere.

PubMed

Smith, E J; Davis, L; Jones, D E; Coleman, P J; Colburn, D S; Dyal, P; Sonett, C P

1980-01-25

The Pioneer Saturn vector helium magnetometer has detected a bow shock and magnetopause at Saturn and has provided an accurate characterization of the planetary field. The equatorial surface field is 0.20 gauss, a factor of 3 to 5 times smaller than anticipated on the basis of attempted scalings from Earth and Jupiter. The tilt angle between the magnetic dipole axis and Saturn's rotation axis is < 1 degrees , a surprisingly small value. Spherical harmonic analysis of the measurements shows that the ratio of quadrupole to dipole moments is < 10 percent, indicating that the field is more uniform than those of the Earth or Jupiter and consistent with Saturn having a relatively small core. The field in the outer magnetosphere shows systematic departures from the dipole field, principally a compression of the field near noon and an equatorial orientation associated with a current sheet near dawn. A hydromagnetic wake resulting from the interaction of Titan with the rotating magnetosphere appears to have been observed.

Monopole and dipole estimation for multi-frequency sky maps by linear regression

NASA Astrophysics Data System (ADS)

Wehus, I. K.; Fuskeland, U.; Eriksen, H. K.; Banday, A. J.; Dickinson, C.; Ghosh, T.; Górski, K. M.; Lawrence, C. R.; Leahy, J. P.; Maino, D.; Reich, P.; Reich, W.

2017-01-01

We describe a simple but efficient method for deriving a consistent set of monopole and dipole corrections for multi-frequency sky map data sets, allowing robust parametric component separation with the same data set. The computational core of this method is linear regression between pairs of frequency maps, often called T-T plots. Individual contributions from monopole and dipole terms are determined by performing the regression locally in patches on the sky, while the degeneracy between different frequencies is lifted whenever the dominant foreground component exhibits a significant spatial spectral index variation. Based on this method, we present two different, but each internally consistent, sets of monopole and dipole coefficients for the nine-year WMAP, Planck 2013, SFD 100 μm, Haslam 408 MHz and Reich & Reich 1420 MHz maps. The two sets have been derived with different analysis assumptions and data selection, and provide an estimate of residual systematic uncertainties. In general, our values are in good agreement with previously published results. Among the most notable results are a relative dipole between the WMAP and Planck experiments of 10-15μK (depending on frequency), an estimate of the 408 MHz map monopole of 8.9 ± 1.3 K, and a non-zero dipole in the 1420 MHz map of 0.15 ± 0.03 K pointing towards Galactic coordinates (l,b) = (308°,-36°) ± 14°. These values represent the sum of any instrumental and data processing offsets, as well as any Galactic or extra-Galactic component that is spectrally uniform over the full sky.

Bulk microstructure and local elastic properties of carbon nanocomposites studied by impulse acoustic microscopy technique

NASA Astrophysics Data System (ADS)

Levin, V.; Petronyuk, Yu.; Morokov, E.; Chernozatonskii, L.; Kuzhir, P.; Fierro, V.; Celzard, A.; Bellucci, S.; Bistarelli, S.; Mastrucci, M.; Tabacchioni, I.

2016-05-01

Bulk microstructure and elastic properties of epoxy-nanocarbon nanocomposites for diverse types and different content of carbon nanofiller has been studied by using impulse acoustic microscopy technique. It has been shown occurrence of various types of mesoscopic structure formed by nanoparticles inside the bulk of nanocomposite materials, including nanoparticle conglomerates and nanoparticle aerogel systems. In spite of the bulk microstructure, nanocarbon composites demonstrate elastic uniformity and negligible influence of nanofiller on elastic properties of carbon nanocomposite materials.

Forward modeling to investigate inversion artifacts resulting from time-lapse electrical resistivity tomography during rainfall simulations

NASA Astrophysics Data System (ADS)

Carey, Austin M.; Paige, Ginger B.; Carr, Bradley J.; Dogan, Mine

2017-10-01

Time-lapse electrical resistivity tomography (ERT) is commonly used as a minimally invasive tool to study infiltration processes. In 2014, we conducted field studies coupling variable intensity rainfall simulation with high-resolution ERT to study the real-time partitioning of rainfall into surface and subsurface response. The significant contrast in resistivity in the subsurface from large changes in subsurface moisture resulted in artifacts during the inversion process of the time-lapse ERT data collected using a dipole-dipole electrode array. These artifacts, which are not representative of real subsurface moisture dynamics, have been shown to arise during time-lapse inversion of ERT data and may be subject to misinterpretation. Forward modeling of the infiltration process post field experiments using a two-layer system (saprolite overlain by a soil layer) was used to generate synthetic datasets. The synthetic data were used to investigate the influence of both changes in volumetric moisture content and electrode configuration on the development of the artifacts identified in the field datasets. For the dipole-dipole array, we found that a decrease in the resistivity of the bottom layer by 67% resulted in a 50% reduction in artifact development. Artifacts for the seven additional array configurations tested, ranged from a 19% increase in artifact development (using an extended dipole-dipole array) to as much as a 96% decrease in artifact development (using a wenner-alpha array), compared to that of the dipole-dipole array. Moreover, these arrays varied in their ability to accurately delineate the infiltration front. Model results showed that the modified pole-dipole array was able to accurately image the infiltration zone and presented fewer artifacts for our experiments. In this study, we identify an optimal array type for imaging rainfall-infiltration dynamics that reduces artifacts. The influence of moisture contrast between the infiltrating water and the bulk subsurface material was characterized and shown to be a major factor in contributing to artifact development. Through forward modeling, this study highlights the importance of considering array type and subsurface moisture conditions when using time-lapse resistivity to obtain reliable estimates of vadose zone flow processes during rainfall-infiltration events.

Isomerization reaction dynamics and equilibrium at the liquid-vapor interface of water. A molecular-dynamics study

NASA Technical Reports Server (NTRS)

Benjamin, Ilan; Pohorille, Andrew

1993-01-01

The gauche-trans isomerization reaction of 1,2-dichloroethane at the liquid-vapor interface of water is studied using molecular-dynamics computer simulations. The solvent bulk and surface effects on the torsional potential of mean force and on barrier recrossing dynamics are computed. The isomerization reaction involves a large change in the electric dipole moment, and as a result the trans/gauche ratio is considerably affected by the transition from the bulk solvent to the surface. Reactive flux correlation function calculations of the reaction rate reveal that deviation from the transition-state theory due to barrier recrossing is greater at the surface than in the bulk water. This suggests that the system exhibits non-Rice-Ramsperger-Kassel-Marcus behavior due to the weak solvent-solute coupling at the water liquid-vapor interface.

Semiempirical self-consistent polarization description of bulk water, the liquid-vapor interface, and cubic ice.

PubMed

Murdachaew, Garold; Mundy, Christopher J; Schenter, Gregory K; Laino, Teodoro; Hutter, Jürg

2011-06-16

We have applied an efficient electronic structure approach, the semiempirical self-consistent polarization neglect of diatomic differential overlap (SCP-NDDO) method, previously parametrized to reproduce properties of water clusters by Chang, Schenter, and Garrett [ J. Chem. Phys. 2008 , 128 , 164111 ] and now implemented in the CP2K package, to model ambient liquid water at 300 K (both the bulk and the liquid-vapor interface) and cubic ice at 15 and 250 K. The SCP-NDDO potential retains its transferability and good performance across the full range of conditions encountered in the clusters and the bulk phases of water. In particular, we obtain good results for the density, radial distribution functions, enthalpy of vaporization, self-diffusion coefficient, molecular dipole moment distribution, and hydrogen bond populations, in comparison to experimental measurements. © 2011 American Chemical Society

Cryogenic magnetic coil and superconducting magnetic shield for neutron electric dipole moment searches

NASA Astrophysics Data System (ADS)

Slutsky, S.; Swank, C. M.; Biswas, A.; Carr, R.; Escribano, J.; Filippone, B. W.; Griffith, W. C.; Mendenhall, M.; Nouri, N.; Osthelder, C.; Pérez Galván, A.; Picker, R.; Plaster, B.

2017-08-01

A magnetic coil operated at cryogenic temperatures is used to produce spatial, relative field gradients below 6 ppm/cm, stable for several hours. The apparatus is a prototype of the magnetic components for a neutron electric dipole moment (nEDM) search, which will take place at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory using ultra-cold neutrons (UCN). That search requires a uniform magnetic field to mitigate systematic effects and obtain long polarization lifetimes for neutron spin precession measurements. This paper details upgrades to a previously described apparatus [1], particularly the introduction of super-conducting magnetic shielding and the associated cryogenic apparatus. The magnetic gradients observed are sufficiently low for the nEDM search at SNS.

Nuclear magnetic relaxation by the dipolar EMOR mechanism: Three-spin systems

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

Chang, Zhiwei; Halle, Bertil, E-mail: bertil.halle@bpc.lu.se

2016-07-21

In aqueous systems with immobilized macromolecules, including biological tissue, the longitudinal spin relaxation of water protons is primarily induced by exchange-mediated orientational randomization (EMOR) of intra- and intermolecular magnetic dipole-dipole couplings. Starting from the stochastic Liouville equation, we have developed a non-perturbative theory that can describe relaxation by the dipolar EMOR mechanism over the full range of exchange rates, dipole couplings, and Larmor frequencies. Here, we implement the general dipolar EMOR theory for a macromolecule-bound three-spin system, where one, two, or all three spins exchange with the bulk solution phase. In contrast to the previously studied two-spin system with amore » single dipole coupling, there are now three dipole couplings, so relaxation is affected by distinct correlations as well as by self-correlations. Moreover, relaxation can now couple the magnetizations with three-spin modes and, in the presence of a static dipole coupling, with two-spin modes. As a result of this complexity, three secondary dispersion steps with different physical origins can appear in the longitudinal relaxation dispersion profile, in addition to the primary dispersion step at the Larmor frequency matching the exchange rate. Furthermore, and in contrast to the two-spin system, longitudinal relaxation can be significantly affected by chemical shifts and by the odd-valued (“imaginary”) part of the spectral density function. We anticipate that the detailed studies of two-spin and three-spin systems that have now been completed will provide the foundation for developing an approximate multi-spin dipolar EMOR theory sufficiently accurate and computationally efficient to allow quantitative molecular-level interpretation of frequency-dependent water-proton longitudinal relaxation data from biophysical model systems and soft biological tissue.« less

How many molecular layers of polar solvent molecules control chemistry? The concept of compensating dipoles.

PubMed

Langhals, Heinz; Braun, Patricia; Dietl, Christian; Mayer, Peter

2013-09-27

The extension of the solvent influence of the shell into the volume of a polar medium was examined by means of anti-collinear dipoles on the basis of the E(T)(30) solvent polarity scale (i.e., the molar energy of excitation of a pyridinium-N-phenolatebetaine dye; generally: E(T) =28,591 nm kcal mol(-1)/λmax) where no compensation effects were found. As a consequence, solvent polarity effects are concentrated to a very thin layer of a few thousand picometres around the solute where extensions into the bulk solvent become unimportant. A parallelism to the thin surface layer of water to the gas phase is discussed. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Weaker axially dipolar time-averaged paleomagnetic field based on multidomain-corrected paleointensities from Galapagos lavas.

PubMed

Wang, Huapei; Kent, Dennis V; Rochette, Pierre

2015-12-08

The geomagnetic field is predominantly dipolar today, and high-fidelity paleomagnetic mean directions from all over the globe strongly support the geocentric axial dipole (GAD) hypothesis for the past few million years. However, the bulk of paleointensity data fails to coincide with the axial dipole prediction of a factor-of-2 equator-to-pole increase in mean field strength, leaving the core dynamo process an enigma. Here, we obtain a multidomain-corrected Pliocene-Pleistocene average paleointensity of 21.6 ± 11.0 µT recorded by 27 lava flows from the Galapagos Archipelago near the Equator. Our new result in conjunction with a published comprehensive study of single-domain-behaved paleointensities from Antarctica (33.4 ± 13.9 µT) that also correspond to GAD directions suggests that the overall average paleomagnetic field over the past few million years has indeed been dominantly dipolar in intensity yet only ∼ 60% of the present-day field strength, with a long-term average virtual axial dipole magnetic moment of the Earth of only 4.9 ± 2.4 × 10(22) A ⋅ m(2).

Weaker axially dipolar time-averaged paleomagnetic field based on multidomain-corrected paleointensities from Galapagos lavas

PubMed Central

Wang, Huapei; Kent, Dennis V.; Rochette, Pierre

2015-01-01

The geomagnetic field is predominantly dipolar today, and high-fidelity paleomagnetic mean directions from all over the globe strongly support the geocentric axial dipole (GAD) hypothesis for the past few million years. However, the bulk of paleointensity data fails to coincide with the axial dipole prediction of a factor-of-2 equator-to-pole increase in mean field strength, leaving the core dynamo process an enigma. Here, we obtain a multidomain-corrected Pliocene–Pleistocene average paleointensity of 21.6 ± 11.0 µT recorded by 27 lava flows from the Galapagos Archipelago near the Equator. Our new result in conjunction with a published comprehensive study of single-domain–behaved paleointensities from Antarctica (33.4 ± 13.9 µT) that also correspond to GAD directions suggests that the overall average paleomagnetic field over the past few million years has indeed been dominantly dipolar in intensity yet only ∼60% of the present-day field strength, with a long-term average virtual axial dipole magnetic moment of the Earth of only 4.9 ± 2.4 × 1022 A⋅m2. PMID:26598664

Effects of nonadditive interactions on ion solvation at the water/vapor interface: a molecular dynamics study.

PubMed

Yagasaki, Takuma; Saito, Shinji; Ohmine, Iwao

2010-12-09

The solvation of halide ions at the water/vapor interface is investigated by using molecular dynamics simulations with nonpolarizable molecular mechanical (MM), polarizable MM, and quantum mechanical (QM)/MM methods. The free energy profile of the ion solvation is decomposed into the energy and the entropic contributions along the ion displacement from inside to the surface of water. It is found that the surface affinity of the ion, relative to the bulk value, is determined by a subtle balance between the energetic destabilization and the entropic stabilization with the ion displacement. The amount of energetic destabilization is found to be reduced when nonadditive interactions are included, as in the polarizable MM and QM/MM models. The structure of water around the ion at the interface is also largely modified when the higher order effects are considered. For example, the induced dipole effect enhances the solvation structure around the ion at the interface significantly and thus reduces the amount of entropic stabilization at the interface, relative to in the bulk. It is found that this induced dipole effect causes the slowing in the ion-water hydrogen bond dynamics at the interface. On the other hand, the higher order induced multipole effects in the QM/MM method suppress both the excessive enhancement of the solvation structure and the slowing of the ion-water hydrogen bond dynamics at the interface. The present study demonstrates that not only the induced dipole moment but also the higher order induced multipole moments, which are neglected in standard empirical models, are essential for the correct description of the ion solvation at the water/vapor interface.

Bulk, rare earth, and other trace elements in Apollo 14 and 15 and Luna 16 samples.

NASA Technical Reports Server (NTRS)

Laul, J. C.; Wakita, H.; Showalter, D. L.; Boynton, W. V.; Schmitt, R. A.

1972-01-01

Measurement of 24 and 34 bulk, minor, and trace elements in lunar specimens by instrumental and radiochemical neutron activation analysis shows greater Al2O3, Na2O, and K2O abundances and higher TiO2, FeO, MnO and Cr2O3 depletions in Apollo 14 soil samples as compared to Apollo 11 samples and to most of Apollo 12 samples. The uniform abundances in 14230 core tube soils and three other Apollo 14 soils indicate that the regolith is uniform to at least 22 cm depth and within about 200 m from the lunar module.

Mixed conduction and grain boundary effect in lithium niobate under high pressure

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

Wang, Qinglin; Center for High Pressure Science and Technology Advanced Research, Changchun 130012; Liu, Cailong

2015-03-30

The charge transport behavior of lithium niobate has been investigated by in situ impedance measurement up to 40.6 GPa. The Li{sup +} ionic conduction plays a dominant role in the transport process. The relaxation process is described by the Maxwell-Wagner relaxation arising at the interfaces between grains and grain boundaries. The grain boundary microstructure rearranges after the phase transition, which improves the bulk dielectric performance. The theoretical calculations show that the decrease of bulk permittivity with increasing pressure in the Pnma phase is caused by the pressure-induced enhancement of electron localization around O atoms, which limits the polarization of Nb-O electricmore » dipoles.« less

Retardation of Bulk Water Dynamics by Disaccharide Osmolytes

NASA Astrophysics Data System (ADS)

Shukla, Nimesh; Chen, Lee; Pomarico, Enrico; Chergui, Majed; Othon, Christina

Bioprotective nature of disaccharides is hypothesized to derive from the modification of the hydrogen bonding network of water which protects biomolecules through lowered water activity at the protein interface. Using ultrafast fluorescence spectroscopy, we measured the relaxation of bulk water dynamics around the induced dipole moment of two fluorescent probes (Lucifer Yellow Ethylenediamine and Tryptophan). Our results indicate a reduction in bulk water reorganization rate of approximately 30%. We observe this retardation in the low concentration regime measured at 0.1 and 0.25 M, far below the onset of glassy dynamics. This water structuring should be significant in crowded biological systems, contributing to a global change in protein energy landscape, resulting in a significant enhancement of protein stability under environmental stress. We observed similar dynamic reduction for two disaccharide osmolytes, sucrose and trehalose, with trehalose being the more effective in reducing solvation dynamics.

MICROWAVE-ASSISTED SHAPE CONTROLLED BULK SYNTHESIS OF AG AND FE NANORODS IN POLY (ETHYLENE GLYCOL) SOLUTIONS

EPA Science Inventory

Bulk syntheses of silver (Ag) and iron (Fe) nanorods using poly (ethylene glycol), PEG, under microwave irradiation (MW) conditions are reported. Favorable conditions to make Ag nanorods were established and can be extended to make Fe nanorods with uniform size and shape. The nan...

A quantized microwave quadrupole insulator with topologically protected corner states

NASA Astrophysics Data System (ADS)

Peterson, Christopher W.; Benalcazar, Wladimir A.; Hughes, Taylor L.; Bahl, Gaurav

2018-03-01

The theory of electric polarization in crystals defines the dipole moment of an insulator in terms of a Berry phase (geometric phase) associated with its electronic ground state. This concept not only solves the long-standing puzzle of how to calculate dipole moments in crystals, but also explains topological band structures in insulators and superconductors, including the quantum anomalous Hall insulator and the quantum spin Hall insulator, as well as quantized adiabatic pumping processes. A recent theoretical study has extended the Berry phase framework to also account for higher electric multipole moments, revealing the existence of higher-order topological phases that have not previously been observed. Here we demonstrate experimentally a member of this predicted class of materials—a quantized quadrupole topological insulator—produced using a gigahertz-frequency reconfigurable microwave circuit. We confirm the non-trivial topological phase using spectroscopic measurements and by identifying corner states that result from the bulk topology. In addition, we test the critical prediction that these corner states are protected by the topology of the bulk, and are not due to surface artefacts, by deforming the edges of the crystal lattice from the topological to the trivial regime. Our results provide conclusive evidence of a unique form of robustness against disorder and deformation, which is characteristic of higher-order topological insulators.

Excitonic effects in dense media: breakdown of intrinsic optical bistability

NASA Astrophysics Data System (ADS)

Yudson, V. I.; Reineker, P.

1994-12-01

The steady-state nonlinear response to optical excitation is studied for a thin layer containing “two-level-atoms” (TLA). For a high density of TLAs their dipole-dipole interaction and finite excitonic bandwidth effects become important. We demonstrate that the commonly used local-field approximation ignoring excitonic band effects breaks down. Considering a system of ordered TLAs corresponding to Frenkel excitons in molecular crystals we show that excitonic effects cause an instability of spatially uniform solutions and decrease drastically the existence range of the intrinsic optical bistability of a layer. The possibility of “fast instability”, developing with an increment large in comparison with relaxation rates and the Rabi frequency, also raises the question whether the local field approximation still holds for the description of transient optical phenomena in dense media.

Excitonic effects in dense media: breakdown of intrinsic optical bistability

NASA Astrophysics Data System (ADS)

Yudson, V. I.; Reineker, P.

The steady-state nonlinear response to optical excitation is studied for a thin layer containing “two-level-atoms” (TLA). For a high density of TLAs their dipole-dipole interaction and finite excitonic bandwidth effects become important. We demonstrate that the commonly used local-field approximation ignoring excitonic band effects breaks down. Considering a system of ordered TLAs corresponding to Frenkel excitons in molecular crystals we show that excitonic effects cause an instability of spatially uniform solutions and decrease drastically the existence range of the intrinsic optical bistability of a layer. The possibility of “fast instability”, developing with an increment large in comparison with relaxation rates and the Rabi frequency, also raises the question whether the local field approximation still holds for the description of transient optical phenomena in dense media.

Magnetic assembly of nonmagnetic particles into photonic crystal structures.

PubMed

He, Le; Hu, Yongxing; Kim, Hyoki; Ge, Jianping; Kwon, Sunghoon; Yin, Yadong

2010-11-10

We report the rapid formation of photonic crystal structures by assembly of uniform nonmagnetic colloidal particles in ferrofluids using external magnetic fields. Magnetic manipulation of nonmagnetic particles with size down to a few hundred nanometers, suitable building blocks for producing photonic crystals with band gaps located in the visible regime, has been difficult due to their weak magnetic dipole moment. Increasing the dipole moment of magnetic holes has been limited by the instability of ferrofluids toward aggregation at high concentration or under strong magnetic field. By taking advantage of the superior stability of highly surface-charged magnetite nanocrystal-based ferrofluids, in this paper we have been able to successfully assemble 185 nm nonmagnetic polymer beads into photonic crystal structures, from 1D chains to 3D assemblies as determined by the interplay of magnetic dipole force and packing force. In a strong magnetic field with large field gradient, 3D photonic crystals with high reflectance (83%) in the visible range can be rapidly produced within several minutes, making this general strategy promising for fast creation of large-area photonic crystals using nonmagnetic particles as building blocks.

Development of a Bulk-Format System to Harvest, Handle, Store, and Deliver High-Tonnage Low-Moisture Switchgrass Feedstock

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

Womac, Alvin; Groothuis, Mitch; Westover, Tyler

2013-09-24

This project evaluates and compares comprehensive feedstock logistics systems (FLS), where a FLS is defined to comprehensively span from biomass material standing in a field to conveyance of a uniform, industrial-milled product into the throat of a biomass conversion facility (BCF). Elements of the bulk-format FLS evaluated in this project include: field-standing switchgrass dry chopped into bulk format on the farm, hauled (either loose or bulk compacted) to storage, stored with confining overburden in a protective facility, reclaimed and conveyed to bulk-format discharge, bulk compacted into an ejector trailer, and conveyed as bulk flow into the BCF. In this FLSmore » evaluation, bulk storage bins served as a controlled and sensored proxy for large commercial stacks protected from moisture with a membrane cover.« less

Processing of MnBi bulk magnets with enhanced energy product

DOE PAGES

Poudyal, Narayan; Liu, Xubo; Wang, Wei; ...

2016-02-23

Here, we report magnetic properties and microstructure of high energy-product MnBi bulk magnets fabricated by low-temperature ball-milling and warm compaction technique. A maximum energy product (BH) max of 8.4 MGOe and a coercivity of 6.2 kOe were obtained in the bulk MnBi magnet at room temperature. Magnetic characterization at elevated temperatures showed an increase in coercivity to 16.2 kOe while (BH) max value decreased to 6.8 MGOe at 400 K. Microstructure characterization revealed that the bulk magnets consist of oriented uniform nanoscale grains with average size about 50 nm.

Estimating canopy bulk density and canopy base height for interior western US conifer stands

Treesearch

Seth A. Ex; Frederick W. Smith; Tara L. Keyser; Stephanie A. Rebain

2016-01-01

Crown fire hazard is often quantified using effective canopy bulk density (CBD) and canopy base height (CBH). When CBD and CBH are estimated using nonlocal crown fuel biomass allometries and uniform crown fuel distribution assumptions, as is common practice, values may differ from estimates made using local allometries and nonuniform...

High-order multipole radiation from quantum Hall states in Dirac materials

NASA Astrophysics Data System (ADS)

Gullans, Michael J.; Taylor, Jacob M.; Imamoǧlu, Ataç; Ghaemi, Pouyan; Hafezi, Mohammad

2017-06-01

We investigate the optical response of strongly disordered quantum Hall states in two-dimensional Dirac materials and find qualitatively different effects in the radiation properties of the bulk versus the edge. We show that the far-field radiation from the edge is characterized by large multipole moments (>50 ) due to the efficient transfer of angular momentum from the electrons into the scattered light. The maximum multipole transition moment is a direct measure of the coherence length of the edge states. Accessing these multipole transitions would provide new tools for optical spectroscopy and control of quantum Hall edge states. On the other hand, the far-field radiation from the bulk appears as random dipole emission with spectral properties that vary with the local disorder potential. We determine the conditions under which this bulk radiation can be used to image the disorder landscape. Such optical measurements can probe submicron-length scales over large areas and provide complementary information to scanning probe techniques. Spatially resolving this bulk radiation would serve as a novel probe of the percolation transition near half filling.

Selective Plasmonic Enhancement of Electric- and Magnetic-Dipole Radiations of Er Ions.

PubMed

Choi, Bongseok; Iwanaga, Masanobu; Sugimoto, Yoshimasa; Sakoda, Kazuaki; Miyazaki, Hideki T

2016-08-10

Lanthanoid series are unique in atomic elements. One reason is because they have 4f electronic states forbidding electric-dipole (ED) transitions in vacuum and another reason is because they are very useful in current-day optical technologies such as lasers and fiber-based telecommunications. Trivalent Er ions are well-known as a key atomic element supporting 1.5 μm band optical technologies and also as complex photoluminescence (PL) band deeply mixing ED and magnetic-dipole (MD) transitions. Here we show large and selective enhancement of ED and MD radiations up to 83- and 26-fold for a reference bulk state, respectively, in experiments employing plasmonic nanocavity arrays. We achieved the marked PL enhancement by use of an optimal design for electromagnetic (EM) local density of states (LDOS) and by Er-ion doping in deep subwavelength precision. We moreover clarify the quantitative contribution of ED and MD radiations to the PL band, and the magnetic Purcell effect in the PL-decay temporal measurement. This study experimentally demonstrates a new scheme of EM-LDOS engineering in plasmon-enhanced photonics, which will be a key technique to develop loss-compensated and active plasmonic devices.

Electric polarization switching in an atomically thin binary rock salt structure

NASA Astrophysics Data System (ADS)

Martinez-Castro, Jose; Piantek, Marten; Schubert, Sonja; Persson, Mats; Serrate, David; Hirjibehedin, Cyrus F.

2018-01-01

Inducing and controlling electric dipoles is hindered in the ultrathin limit by the finite screening length of surface charges at metal-insulator junctions1-3, although this effect can be circumvented by specially designed interfaces4. Heterostructures of insulating materials hold great promise, as confirmed by perovskite oxide superlattices with compositional substitution to artificially break the structural inversion symmetry5-8. Bringing this concept to the ultrathin limit would substantially broaden the range of materials and functionalities that could be exploited in novel nanoscale device designs. Here, we report that non-zero electric polarization can be induced and reversed in a hysteretic manner in bilayers made of ultrathin insulators whose electric polarization cannot be switched individually. In particular, we explore the interface between ionic rock salt alkali halides such as NaCl or KBr and polar insulating Cu2N terminating bulk copper. The strong compositional asymmetry between the polar Cu2N and the vacuum gap breaks inversion symmetry in the alkali halide layer, inducing out-of-plane dipoles that are stabilized in one orientation (self-poling). The dipole orientation can be reversed by a critical electric field, producing sharp switching of the tunnel current passing through the junction.

Inverted polymer fullerene solar cells exceeding 10% efficiency with poly(2-ethyl-2-oxazoline) nanodots on electron-collecting buffer layers

PubMed Central

Nam, Sungho; Seo, Jooyeok; Woo, Sungho; Kim, Wook Hyun; Kim, Hwajeong; Bradley, Donal D. C.; Kim, Youngkyoo

2015-01-01

Polymer solar cells have been spotlighted due to their potential for low-cost manufacturing but their efficiency is still less than required for commercial application as lightweight/flexible modules. Forming a dipole layer at the electron-collecting interface has been suggested as one of the more attractive approaches for efficiency enhancement. However, only a few dipole layer material types have been reported so far, including only one non-ionic (charge neutral) polymer. Here we show that a further neutral polymer, namely poly(2-ethyl-2-oxazoline) (PEOz) can be successfully used as a dipole layer. Inclusion of a PEOz layer, in particular with a nanodot morphology, increases the effective work function at the electron-collecting interface within inverted solar cells and thermal annealing of PEOz layer leads to a state-of-the-art 10.74% efficiency for single-stack bulk heterojunction blend structures comprising poly[4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b:4,5-b′]dithiophene-alt-3-fluorothieno[3,4-b]thiophene-2-carboxylate] as donor and [6,6]-phenyl-C71-butyric acid methyl ester as acceptor. PMID:26656447

Photophysical study of some 3-benzoylmethyleneindol-2-ones and estimation of ground and excited states dipole moments from solvatochromic methods using solvent polarity parameters

NASA Astrophysics Data System (ADS)

Saroj, Manju K.; Sharma, Neera; Rastogi, Ramesh C.

2012-03-01

3-Benzoylmethyleneindol-2-ones, isatin based chalcones containing donor and acceptor moieties that exhibit excited-state intramolecular charge transfer, have been studied in different solvents by absorption and emission spectroscopy. The excited state behavior of these compounds is strongly dependent on the nature of substituents and the environment. These compounds show multiple emissions arising from a locally excited state and the two states due to intramolecular processes viz. intramolecular charge transfer (ICT) and excited state intramolecular proton transfer (ESIPT). Excited-state dipole moments have been calculated using Stoke-shifts of LE and ICT states using solvatochromic methods. The higher values of dipole moments obtained lead to support the formation of ICT state as one of the prominent species in the excited states of all 3-benzoylmethyleneindol-2-ones. The correlation of the solvatochromic Stokes-shifts with the microscopic solvent polarity parameter (ETN) was found to be superior to that obtained using bulk solvent polarity functions. The absorption and florescence spectral characteristics have been also investigated as a function of acidity and basicity (Ho/pH) in aqueous phase.

In-package inhibition of E. coli O157:H7 on bulk Romaine lettuce using cold plasma.

PubMed

Min, Sea C; Roh, Si Hyeon; Niemira, Brendan A; Boyd, Glenn; Sites, Joseph E; Uknalis, Joseph; Fan, Xuetong

2017-08-01

Dielectric barrier discharge atmospheric cold plasma (DACP) treatment was evaluated for the inactivation of Escherichia coli O157:H7, surface morphology, color, carbon dioxide generation, and weight loss of bulk Romaine lettuce in a commercial plastic clamshell container. The lettuce samples were packed in a model bulk packaging configuration (three rows with either 1, 3, 5, or 7 layers) in the container and treated by DACP (42.6 kV, 10 min). DACP treatment reduced the number of E. coli O157:H7 in the leaf samples in the 1-, 3-, and 5-layer configurations by 0.4-0.8 log CFU/g lettuce, with no significant correlation to the sample location (P > 0.05). In the largest bulk stacking with 7 layers, a greater degree of reduction (1.1 log CFU/g lettuce) was observed at the top layer, but shaking the container increased the uniformity of the inhibition. DACP did not significantly change the surface morphology, color, respiration rate, or weight loss of the samples, nor did these properties differ significantly according to their location in the bulk stack. DACP treatment inhibited E. coli O157:H7 on bulk lettuce in clamshell containers in a uniform manner, without affecting the physical and biological properties and thus holds promise as a post-packaging process for fresh and fresh-cut fruits and vegetables. Published by Elsevier Ltd.

Sensitivity of the orbiting JEM-EUSO mission to large-scale anisotropies

NASA Astrophysics Data System (ADS)

Weiler, Thomas; Anchordoqui, Luis; Denton, Peter

2013-04-01

Uniform sky coverage and very large apertures are advantages of future extreme-energy, space-based cosmic-ray observatories. In this talk we will quantify the advantage of an all-sky/4pi observatory such as JEM-EUSO over the one to two steradian coverage of a ground-based observatory such as Auger. We exploit the availability of spherical harmonics in the case of 4pi coverage. The resulting Y(lm) coefficients will likely become a standard analysis tool for near-future, space-based, cosmic-ray astronomy. We demonstrate the use of Y(lm)'s with extractions of simulated dipole and quadrupole anisotropies. (A dipole anisotropy is expected if a single source-region such as Cen A dominates the sky, while a quadrupole moment is expected if a 2D source region such as the Supergalactic Plane dominates the sky.)

Osmium isotope evidence for uniform distribution of s- and r-process components in the early solar system

NASA Astrophysics Data System (ADS)

Yokoyama, Tetsuya; Rai, Vinai K.; Alexander, Conel M. O'D.; Lewis, Roy S.; Carlson, Richard W.; Shirey, Steven B.; Thiemens, Mark H.; Walker, Richard J.

2007-07-01

We have precisely measured Os isotopic ratios in bulk samples of five carbonaceous, two enstatite and two ordinary chondrites, as well as the acid-resistant residues of three carbonaceous chondrites. All bulk meteorite samples have uniform 186Os/ 188Os, 188Os/ 189Os and 190Os/ 189Os ratios, when decomposed by an alkaline fusion total digestion technique. These ratios are also identical to estimates for Os in the bulk silicate Earth. Despite Os isotopic homogeneity at the bulk meteorite scale, acid insoluble residues of three carbonaceous chondrites are enriched in 186Os, 188Os and 190Os, isotopes with major contributions from stellar s-process nucleosynthesis. Conversely, these isotopes are depleted in acid soluble portions of the same meteorites. The complementary enriched and depleted fractions indicate the presence of at least two types of Os-rich components in these meteorites, one enriched in Os isotopes produced by s-process nucleosynthesis, the other enriched in isotopes produced by the r-process. Presolar silicon carbide is the most probable host for the s-process-enriched Os present in the acid insoluble residues. Because the enriched and depleted components present in these meteorites are combined in proportions resulting in a uniform chondritic/terrestrial composition, it requires that disparate components were thoroughly mixed within the solar nebula at the time of the initiation of planetesimal accretion. This conclusion contrasts with evidence from the isotopic compositions of some other elements (e.g., Sm, Nd, Ru, Mo) that suggests heterogeneous distribution of matter with disparate nucleosynthetic sources within the nebula.

Impact of deformed extreme-ultraviolet pellicle in terms of CD uniformity

NASA Astrophysics Data System (ADS)

Kim, In-Seon; Yeung, Michael; Barouch, Eytan; Oh, Hye-Keun

2015-07-01

The usage of the extreme ultraviolet (EUV) pellicle is regarded as the solution for defect control since it can protect the mask from airborne debris. However some obstacles disrupt real-application of the pellicle such as structural weakness, thermal damage and so on. For these reasons, flawless fabrication of the pellicle is impossible. In this paper, we discuss the influence of deformed pellicle in terms of non-uniform intensity distribution and critical dimension (CD) uniformity. It was found that non-uniform intensity distribution is proportional to local tilt angle of pellicle and CD variation was linearly proportional to transmission difference. When we consider the 16 nm line and space pattern with dipole illumination (σc=0.8, σr=0.1, NA=0.33), the transmission difference (max-min) of 0.7 % causes 0.1 nm CD uniformity. Influence of gravity caused deflection to the aerial image is small enough to ignore. CD uniformity is less than 0.1 nm even for the current gap of 2 mm between mask and pellicle. However, heat caused EUV pellicle wrinkle might cause serious image distortion because a wrinkle of EUV pellicle causes a transmission loss variation as well as CD non-uniformity. In conclusion, local angle of a wrinkle, not a period or an amplitude of a wrinkle is a main factor to CD uniformity, and local angle of less than ~270 mrad is needed to achieve 0.1 nm CD uniformity with 16 nm L/S pattern.

Phase Restructuring in Transition Metal Dichalcogenides for Highly Stable Energy Storage.

PubMed

Leng, Kai; Chen, Zhongxin; Zhao, Xiaoxu; Tang, Wei; Tian, Bingbing; Nai, Chang Tai; Zhou, Wu; Loh, Kian Ping

2016-09-28

Achieving homogeneous phase transition and uniform charge distribution is essential for good cycle stability and high capacity when phase conversion materials are used as electrodes. Herein, we show that chemical lithiation of bulk 2H-MoS 2 distorts its crystalline domains in three primary directions to produce mosaic-like 1T' nanocrystalline domains, which improve phase and charge uniformity during subsequent electrochemical phase conversion. 1T'-Li x MoS 2 , a macroscopic dense material with interconnected nanoscale grains, shows excellent cycle stability and rate capability in a lithium rechargeable battery compared to bulk or exfoliated-restacked MoS 2 . Transmission electron microscopy studies reveal that the interconnected MoS 2 nanocrystals created during the phase change process are reformable even after multiple cycles of galvanostatic charging/discharging, which allows them to play important roles in the long term cycling performance of the chemically intercalated TMD materials. These studies shed light on how bulk TMDs can be processed into quasi-2D nanophase material for stable energy storage.

Microstructure and critical current density in MgB2 bulk made of 4.5 wt% carbon-coated boron

NASA Astrophysics Data System (ADS)

Higuchi, M.; Muralidhar, M.; Jirsa, M.; Murakami, M.

2017-07-01

Superconducting performance and its uniformity was studied in the single-step sintered MgB2 bulk prepared with 4.5 wt% of carbon in the carbon-encapsulated boron. The 20 mm in diameter MgB2 pellet was cut into several pieces from bottom to top and the microstructure, superconducting transition temperature (Tc onset), and critical current density at 20 K were studied. DC magnetization measurements showed a sharp superconducting transition with onset Tc at around 35.5 K in all positions. SEM analysis indicated a dispersion of grains between 200 and 300 nm in size, as the main pinning medium in this MgB2 superconductors. The critical current density at 20 K was quite uniform, around 330 kA/cm2 and 200 kA/cm2 at self-field and 1 T, respectively, for all measured positions. The results indicate that the carbon-encapsulated boron is very promising for production of high quality bulk MgB2 material for various industrial applications.

Intrinsic Spin-Hall Effect in n-Doped Bulk GaAs

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

Bernevig, B.Andrei; Zhang, Shou-Cheng; /Stanford U., Phys. Dept.

2010-01-15

We show that the bulk Dresselhauss (k{sup 3}) spin-orbit coupling term leads to an intrinsic spin-Hall effect in n-doped bulk GaAs, but without the appearance of uniform magnetization. The spin-Hall effect in strained and unstrained bulk GaAs has been recently observed experimentally by Kato et. al. [1]. We show that the experimental result is quantitatively consistent with the intrinsic spin-Hall effect due to the Dresselhauss term, when lifetime broadening is taken into account. On the other hand, extrinsic contribution to the spin-Hall effect is several orders of magnitude smaller than the observed effect.

High operation temperature of HgCdTe photodiodes by bulk defect passivation

NASA Astrophysics Data System (ADS)

Boieriu, Paul; Velicu, S.; Bommena, R.; Buurma, C.; Blisset, C.; Grein, C.; Sivananthan, S.; Hagler, P.

2013-01-01

Spatial noise and the loss of photogenerated current due material non-uniformities limit the performance of long wavelength infrared (LWIR) HgCdTe detector arrays. Reducing the electrical activity of defects is equivalent to lowering their density, thereby allowing detection and discrimination over longer ranges. Infrared focal plane arrays (IRFPAs) in other spectral bands will also benefit from detectivity and uniformity improvements. Larger signal-to-noise ratios permit either improved accuracy of detection/discrimination when an IRFPA is employed under current operating conditions, or provide similar performance with the IRFPA operating under less stringent conditions such as higher system temperature, increased system jitter or damaged read out integrated circuit (ROIC) wells. The bulk passivation of semiconductors with hydrogen continues to be investigated for its potential to become a tool for the fabrication of high performance devices. Inductively coupled plasmas have been shown to improve the quality and uniformity of semiconductor materials and devices. The retention of the benefits following various aging conditions is discussed here.

Coherent magnon optics in a ferromagnetic spinor Bose-Einstein condensate.

PubMed

Marti, G Edward; MacRae, Andrew; Olf, Ryan; Lourette, Sean; Fang, Fang; Stamper-Kurn, Dan M

2014-10-10

We measure the dispersion relation, gap, and magnetic moment of a magnon in the ferromagnetic F = 1 spinor Bose-Einstein condensate of (87)Rb. From the dispersion relation we measure an average effective mass 1.033(2)(stat)(10)(sys) times the atomic mass, as determined by interfering standing and running coherent magnon waves within the dense and trapped condensed gas. The measured mass is higher than theoretical predictions of mean-field and beyond-mean-field Beliaev theory for a bulk spinor Bose gas with s-wave contact interactions. We observe a magnon energy gap of h × 2.5(1)(stat)(2)(sys) Hz, which is consistent with the predicted effect of magnetic dipole-dipole interactions. These dipolar interactions may also account for the high magnon mass. The effective magnetic moment of -1.04(2)(stat)(8)(sys) times the atomic magnetic moment is consistent with mean-field theory.

Acid-Base Electronic Properties in the Gas Phase: Permanent Electric Dipole Moments of a Photoacidic Substrate.

NASA Astrophysics Data System (ADS)

Fleisher, Adam J.; Morgan, Philip J.; Pratt, David W.

2009-06-01

The permanent electric dipole moments of two conformers of 2-naphthol (2HN) in their ground and electronically excited states have been experimentally determined by Stark-effect measurements in a molecular beam. When in solution, 2HN is a weak base in the S{_0} state and a strong acid in the S{_1} state. Using sequential solvation of the cis-2HN photoacid with the base ammonia, we have begun to approach condensed phase acid-base interactions with gas phase rotational resolution. Our study, void of bulk solvent perturbations, is of importance to the larger community currently describing aromatic biomolecule and "super" photoacid behavior via theoretical modeling and condensed phase solvatochromism. [2] A. Weller. Prog. React. Kinet. 5, 273 (1970). [3] D. F. Plusquellic, X. -Q. Tan, and D. W. Pratt. J. Chem. Phys. 96, 8026 (1992).

Site-specific polarizabilities as descriptors of metallic behavior in atomic clusters

NASA Astrophysics Data System (ADS)

Jackson, Koblar; Jellinek, Julius

The electric dipole polarizability of a cluster is a measure of its response to an applied electric field. The site specific polarizability method decomposes the total cluster polarizability into contributions from individual atoms and also allows it to be partitioned into charge transfer and electric dipole contributions. By systematically examining the trends in these quantities for several types of metal atom clusters over a wide range of cluster sizes, we find common characteristics that uniquely link the behavior of the clusters to that of the corresponding bulk metals for clusters as small as 10 atoms. We discuss these trends and compare and contrast them with results for non-metal clusters. This work was supported by the Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences, U.S. Department of Energy under Grant SC0001330 (KAJ) and Contract No. DE-AC02-06CH11357 (JJ).

Pressure profiles of plasmas confined in the field of a dipole magnet

NASA Astrophysics Data System (ADS)

Davis, Matthew Stiles

Understanding the maintenance and stability of plasma pressure confined by a strong magnetic field is a fundamental challenge in both laboratory and space plasma physics. Using magnetic and X-ray measurements on the Levitated Dipole Experiment (LDX), the equilibrium plasma pressure has been reconstructed, and variations of the plasma pressure for different plasma conditions have been examined. The relationship of these profiles to the magnetohydrodynamic (MHD) stability limit, and to the enhanced stability limit that results from a fraction of energetic trapped electrons, has been analyzed. In each case, the measured pressure profiles and the estimated fractional densities of energetic electrons were qualitatively consistent with expectations of plasma stability. LDX confines high temperature and high pressure plasma in the field of a superconducting dipole magnet. The strong dipole magnet can be either mechanically supported or magnetically levitated. When the dipole was mechanically supported, the plasma density profile was generally uniform while the plasma pressure was highly peaked. The uniform density was attributed to the thermal plasma being rapidly lost along the field to the mechanical supports. In contrast, the strongly peaked plasma pressure resulted from a fraction of energetic, mirror trapped electrons created by microwave heating at the electron cyclotron resonance (ECRH). These hot electrons are known to be gyrokinetically stabilized by the background plasma and can adopt pressure profiles steeper than the MHD limit. X-ray measurements indicated that this hot electron population could be described by an energy distribution in the range 50-100 keV. Combining information from the magnetic reconstruction of the pressure profile, multi-chord interferometer measurements of the electron density profile, and X-ray measurements of the hot electron energy distribution, the fraction of energetic electrons at the pressure peak was estimated to be ˜ 35% of the total electron population. When the dipole was magnetically levitated the plasma density increased substantially because particle losses to the mechanical supports were eliminated so particles could only be lost via slower cross-field transport processes. The pressure profile was observed to be broader during levitated operation than it was during supported operation, and the pressure appeared to be contained in both a thermal population and an energetic electron population. X-ray spectra indicated that the X-rays came from a similar hot electron population during levitated and supported operation; however, the hot electron fraction was an order of magnitude smaller during levitated operation (<3% of the total electron population). Pressure gradients for both supported and levitated plasmas were compared to the MHD limit. Levitated plasmas had pressure profiles that were (i) steeper than, (ii) shallower than, or (iii) near the MHD limit dependent on plasma conditions. However, those profiles that exceeded the MHD limit were observed to have larger fractions of energetic electrons. When the dipole magnet was supported, high pressure plasmas always had profiles that exceeded the MHD interchange stability limit, but the high pressure in these plasmas appeared to arise entirely from a population of energetic trapped electrons.

Probing plasmon resonances of individual aluminum nanoparticles

NASA Astrophysics Data System (ADS)

Wei, Zhongxia; Mao, Peng; Cao, Lu; Song, Fengqi

2018-01-01

The plasmon resonances of individual aluminum nanoparticles are investigated by electron energy-loss spectroscopy (EELS) in scanning transmission electron microscope (STEM). Surface plasmon mode and bulk plasmon mode of Al nanoparticles are clearly characterized in the EEL spectra. Discrete dipole approximation (DDA) calculations show that as the particle diameter increases from 20 nm to 100 nm, the plasmon resonance shifts to lower energy and higher mode of surface plasmon arises when the diameter reaches 60 nm and larger.

Quantitative characterization of non-classic polarization of cations on clay aggregate stability.

PubMed

Hu, Feinan; Li, Hang; Liu, Xinmin; Li, Song; Ding, Wuquan; Xu, Chenyang; Li, Yue; Zhu, Longhui

2015-01-01

Soil particle interactions are strongly influenced by the concentration, valence and ion species and the pH of the bulk solution, which will also affect aggregate stability and particle transport. In this study, we investigated clay aggregate stability in the presence of different alkali ions (Li+, Na+, K+, and Cs+) at concentrations from10-5 to 10-1 mol L-1. Strong specific ion effects on clay aggregate stability were observed, and showed the order Cs+>K+>Na+>Li+. We found that it was not the effects of ion size, hydration, and dispersion forces in the cation-surface interactions but strong non-classic polarization of adsorbed cations that resulted in these specific effects. In this study, the non-classic dipole moments of each cation species resulting from the non-classic polarization were estimated. By comparing non-classic dipole moments with classic values, the observed dipole moments of adsorbed cations were up to 104 times larger than the classic values for the same cation. The observed non-classic dipole moments sharply increased with decreasing electrolyte concentration. We conclude that strong non-classic polarization could significantly suppress the thickness of the diffuse layer, thereby weakening the electric field near the clay surface and resulting in improved clay aggregate stability. Even though we only demonstrated specific ion effects on aggregate stability with several alkali ions, our results indicate that these effects could be universally important in soil aggregate stability.

Quantitative Characterization of Non-Classic Polarization of Cations on Clay Aggregate Stability

PubMed Central

Hu, Feinan; Li, Hang; Liu, Xinmin; Li, Song; Ding, Wuquan; Xu, Chenyang; Li, Yue; Zhu, Longhui

2015-01-01

Soil particle interactions are strongly influenced by the concentration, valence and ion species and the pH of the bulk solution, which will also affect aggregate stability and particle transport. In this study, we investigated clay aggregate stability in the presence of different alkali ions (Li+, Na+, K+, and Cs+) at concentrations from10−5 to 10−1 mol L−1. Strong specific ion effects on clay aggregate stability were observed, and showed the order Cs+>K+>Na+>Li+. We found that it was not the effects of ion size, hydration, and dispersion forces in the cation–surface interactions but strong non-classic polarization of adsorbed cations that resulted in these specific effects. In this study, the non-classic dipole moments of each cation species resulting from the non-classic polarization were estimated. By comparing non-classic dipole moments with classic values, the observed dipole moments of adsorbed cations were up to 104 times larger than the classic values for the same cation. The observed non-classic dipole moments sharply increased with decreasing electrolyte concentration. We conclude that strong non-classic polarization could significantly suppress the thickness of the diffuse layer, thereby weakening the electric field near the clay surface and resulting in improved clay aggregate stability. Even though we only demonstrated specific ion effects on aggregate stability with several alkali ions, our results indicate that these effects could be universally important in soil aggregate stability. PMID:25874864

Extremely high resolution 3D electrical resistivity tomography to depict archaeological subsurface structures

NASA Astrophysics Data System (ADS)

Al-Saadi, Osamah; Schmidt, Volkmar; Becken, Michael; Fritsch, Thomas

2017-04-01

Electrical resistivity tomography (ERT) methods have been increasingly used in various shallow depth archaeological prospections in the last few decades. These non-invasive techniques are very useful in saving time, costs, and efforts. Both 2D and 3D ERT techniques are used to obtain detailed images of subsurface anomalies. In two surveyed areas near Nonnweiler (Germany), we present the results of the full 3D setup with a roll-along technique and of the quasi-3D setup (parallel and orthogonal profiles in dipole-dipole configuration). In area A, a dipole-dipole array with 96 electrodes in a uniform rectangular survey grid has been used in full 3D to investigate a presumed Roman building. A roll-along technique has been utilized to cover a large part of the archaeological site with an electrode spacing of 1 meter and with 0.5 meter for a more detailed image. Additional dense parallel 2D profiles have been carried out in dipole-dipole array with 0.25 meter electrode spacing and 0.25 meter between adjacent profiles in both direction for higher- resolution subsurface images. We have designed a new field procedure, which used an electrode array fixed in a frame. This facilitates efficient field operation, which comprised 2376 electrode positions. With the quasi 3D imaging, we confirmed the full 3D inversion model but at a much better resolution. In area B, dense parallel 2D profiles were directly used to survey the second target with also 0.25 meter electrode spacing and profiles separation respectively. The same field measurement design has been utilized and comprised 9648 electrode positions in total. The quasi-3D inversion results clearly revealed the main structures of the Roman construction. These ERT inversion results coincided well with the archaeological excavation, which has been done in some parts of this area. The ERT result successfully images parts from the walls and also smaller internal structures of the Roman building.

Nonconventional screening of the Coulomb interaction in FexOy clusters: An ab initio study

NASA Astrophysics Data System (ADS)

Peters, L.; Şaşıoǧlu, E.; Rossen, S.; Friedrich, C.; Blügel, S.; Katsnelson, M. I.

2017-04-01

From microscopic point-dipole model calculations of the screening of the Coulomb interaction in nonpolar systems by polarizable atoms, it is known that screening strongly depends on dimensionality. For example, in one-dimensional systems, the short-range interaction is screened, while the long-range interaction is antiscreened. This antiscreening is also observed in some zero-dimensional structures, i.e., molecular systems. By means of ab initio calculations in conjunction with the random-phase approximation (RPA) within the FLAPW method, we study screening of the Coulomb interaction in FexOy clusters. For completeness, these results are compared with their bulk counterpart magnetite. It appears that the on-site Coulomb interaction is very well screened both in the clusters and bulk. On the other hand, for the intersite Coulomb interaction, the important observation is made that it is almost constant throughout the clusters, while for the bulk it is almost completely screened. More precisely and interestingly, in the clusters antiscreening is observed by means of ab initio calculations.

Numerical Study on the Partitioning of the Molecular Polarizability into Fluctuating Charge and Induced Atomic Dipole Contributions

PubMed Central

Mei, Ye; Simmonett, Andrew C.; Pickard, Frank C.; DiStasio, Robert A.; Brooks, Bernard R.; Shao, Yihan

2015-01-01

In order to carry out a detailed analysis of the molecular static polarizability, which is the response of the molecule to a uniform external electric field, the molecular polarizability was computed using the finite-difference method for 21 small molecules, using density functional theory. Within nine charge population schemes (Löwdin, Mulliken, Becke, Hirshfeld, CM5, Hirshfeld-I, NPA, CHELPG, MK-ESP) in common use, the charge fluctuation contribution is found to dominate the molecular polarizability, with its ratio ranging from 59.9% with the Hirshfeld or CM5 scheme to 96.2% with the Mulliken scheme. The Hirshfeld-I scheme is also used to compute the other contribution to the molecular polarizability coming from the induced atomic dipoles, and the atomic polarizabilities in 8 small molecules and water pentamer are found to be highly anisotropic for most atoms. Overall, the results suggest that (a) more emphasis probably should be placed on the charge fluctuation terms in future polarizable force field development; (b) an anisotropic polarizability might be more suitable than an isotropic one in polarizable force fields based entirely or partially on the induced atomic dipoles. PMID:25945749

Numerical study on the partitioning of the molecular polarizability into fluctuating charge and induced atomic dipole contributions

DOE PAGES

Mei, Ye; Simmonett, Andrew C.; Pickard, IV, Frank C.; ...

2015-05-06

In order to carry out a detailed analysis of the molecular static polarizability, which is the response of the molecule to a uniform external electric field, the molecular polarizability was computed in this study using the finite-difference method for 21 small molecules, using density functional theory. Within nine charge population schemes (Lowdin, Mulliken, Becke, Hirshfeld, CM5, Hirshfeld-I, NPA, CHELPG, MK-ESP) in common use, the charge fluctuation contribution is found to dominate the molecular polarizability, with its ratio ranging from 59.9% with the Hirshfeld or CM5 scheme to 96.2% with the Mulliken scheme. The Hirshfeld-I scheme is also used to computemore » the other contribution to the molecular polarizability coming from the induced atomic dipoles, and the atomic polarizabilities in eight small molecules and water pentamer are found to be highly anisotropic for most atoms. In conclusion, the overall results suggest that (a) more emphasis probably should be placed on the charge fluctuation terms in future polarizable force field development and (b) an anisotropic polarizability might be more suitable than an isotropic one in polarizable force fields based entirely or partially on the induced atomic dipoles.« less

Expected Performance of the LHC Synchrotron-Light Telescope (BSRT) and Abort-Gap Monitor (BSRA)

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

Fisher, Alan; /SLAC

2010-06-07

This Report presents calculations of the synchrotron light from proton and lead-ion beams in the LHC at all energies from 0.45 to 7 TeV. It computes the emission from three sources: the uniform-field region of the D3 dipole, the dipole's edge field, and the short undulator just upstream. Light emitted at or near visible wavelengths is assessed for making optical measurements of transverse beam profiles and for monitoring the emptiness of the abort gap in the fill pattern. There is sufficient light for both applications, although both species pass through energy ranges in the ramp with small photon counts. Effectsmore » limiting image resolution are examined, including geometric optics, depth of field, and diffraction. The Report also considers recent suggestions that the undulator, intended to supplement the dipole for low energies, should not be ramped off at high energies and perhaps should not be used at all. We conclude that the undulator is essential at low energy for both species, but that it is possible to leave the undulator on at the cost of some blurring at intermediate energies.« less

The Role of Electrical Anisotropy in Modeling and Interpreting Controlled-Source Electromagnetic Responses for Hydraulic Fracture Monitoring

NASA Astrophysics Data System (ADS)

Trevino, S., III; Hickey, M. S.; Everett, M. E.

2017-12-01

Controlled-Source Electromagnetics (CSEM) can be used to monitor the movement and extent of injection fluid during a hydraulic fracture. The response of the fluid to energization by a CSEM source is dependent upon the electrical conductivity difference between the fluid and background geological formation. An important property that must be taken into account when modeling and interpreting CSEM responses is that electrical conductivity may be anisotropic. We study the effect of electrical anisotropy in both the background formation and the fluid-injection zone. First, various properties of the background formation can affect anisotropy including variations in grain size, composition and bedding-plane orientation. In certain formations, such as shale, the horizontal component of the conductivity can be more than an order of magnitude larger than the vertical component. We study this effect by computing differences in surface CSEM responses using the analytic 1-D anisotropic primary solution of a horizontal electric dipole positioned at the surface. Second, during hydraulic fracturing, the injected fluid can create new fractures and infill existing natural fractures. To include the explicit fracture geometry in modeling, a large increase in the number of nodes and computational time is required which may not be feasible. An alternative is to instead model the large-scale fracture geometry as a uniform slab with an appropriate bulk conductivity. Micro-scale fracture geometry may cause preferential fluid propagation in a single direction or plane which can be represented by electrical anisotropy of the slab. To study such effects of bulk anisotropy on CSEM responses we present results from multiple scenarios of surface to surface hydraulic fracture monitoring using 3-D finite element modeling. The model uses Coulomb-gauged potentials to solve Maxwell's equations in the frequency domain and we have updated the code to allow a triaxial electrical conductivity tensor to be specified. By allowing for formation and target electrical anisotropy these modeling results contribute to a better understanding and faster interpretation of field data.

Core Versus Nuclear Gauge Methods of Determining Soil Bulk Density and Moisture Content

Treesearch

Jacqueline G. Steele; Jerry L. Koger; Albert C. Trouse; Donald L. Sirois

1983-01-01

Soil bulk and moisture content measurements were obtained using two nuclear gauge systems and those compared to those obtained from soil cores. The soils, a Hiwassee sandy loam, a Lakeland loamy sand, and a Loyd clay, were free of organic matter and uniform in mechanical composition. The regression equations developed for the nuclear guages for the first phase of the...

Helicon waves in uniform plasmas. II. High m numbers

NASA Astrophysics Data System (ADS)

Stenzel, R. L.; Urrutia, J. M.

2015-09-01

Helicons are whistler modes with azimuthal wave numbers. They have been studied in solids and plasmas where boundaries play a role. The present work shows that very similar modes exist in unbounded gaseous plasmas. Instead of boundaries, the antenna properties determine the topology of the wave packets. The simplest antenna is a magnetic loop which excites m = 0 or m = 1 helicons depending on whether the dipole moment is aligned parallel or perpendicular to the ambient background magnetic field B0. While these low order helicons have been described by J. M. Urrutia and R. L. Stenzel ["Helicon modes in uniform plasmas. I. Low m modes," Phys. Plasmas 22, 092111 (2015)], the present work focuses on high order modes up to m = 8. These are excited by antenna arrays forming magnetic multipoles. Their wave magnetic field has been measured in space and time in a large and uniform laboratory plasma free of boundary effects. The observed wave topology exhibits m pairs of unique field line spirals which may have inspired the name "helicon" to this mode. All field lines converge into these nested spirals which propagate like corkscrews along B0. The field lines near the axis of helicons are perpendicular to B0 and circularly polarized as in parallel whistlers. Helical antennas couple to these transverse fields but not to the spiral fields of helicons. Using a circular antenna array of phased m = 0 loops, right or left rotating or non-rotating multipole antenna fields are generated. They excite m < 0 and m > 0 modes, showing that the plasma supports both modes equally well. The poor excitation of m < 0 modes is a characteristic of loops with dipole moment across B0. The radiation efficiency of multipole antennas has been found to decrease with m.

A reexamination of soil textural effects on microwave emission and backscattering

NASA Technical Reports Server (NTRS)

Dobson, M. C.; Kouyate, F.; Ulaby, F. T.

1984-01-01

Microwave frequency measurements of moist soil dielectric properties are noted to challenge the validity of percent-of-field-capacity as a moisture indicator that is independent of soil texture in terms of microwave sensitivity. In arriving at this view, gravimetric, volumetric, and percent-of-field-capacity were tested for their ability to reduce dielectric behavior divergence between soil textures at 1.4 and 5.0 GHz. The most congruent dielectric behavior between soil textures is found to occur when soil moisture is expressed on a volumetric basis that is proportional to the number of water dipoles/unit volume. An inadequate characterization of soil bulk density in the field, combined with the dependency of bulk density on water retention at field capacity, offers the most plausible explanation for the earlier conclusions.

Molecular design for nonpolar chiral-axial quadratic nonlinear optics

NASA Astrophysics Data System (ADS)

Wiggers, Gregory A.

In this thesis the hyperpolarizability of various multi-dimensional molecules is studied theoretically/computationally, with particular focus on the second-rank Kleinman-disallowed (KD) component of the hyperpolarizability. This component, which transforms as a second-rank traceless symmetric tensor, could be utilized in certain chiral-axial molecular alignment schemes to produce a bulk response. Nonpolar chiral-axial systems have been proposed in contrast to polar media, which utilize the vector component of the molecular hyperpolarizability and require parallel alignment of the molecular dipoles. Such parallel alignment of dipoles must be "frozen in" in order to overcome the natural tendency for dipoles to align anti-parallel. This limits the density of chromophores that can be loaded into a polar material. Nonpolar materials do not have such limits in theory. The two geometric classes of molecules that can most easily be incorporated into nonpolar chiral-uniaxial materials are propeller-shaped (C3 or D3 symmetry) and Λ-shaped (C2v symmetry). This work describes efforts to design molecules within these classes that would be suitable for bulk NLO materials. The sum-over-states (SOS) expression is used to model the molecular hyperpolarizability, and quantum chemical calculations, along with linear absorption data (when available) provide the necessary parameters to evaluate truncated forms of the SOS expression. A host of chemical and geometric modifications will be considered in order to elucidate important structure/function relationships. Also, the SOS model will be tested in some cases when experimental measurements (via Kleinman-disallowed hyper-Rayleigh scattering) are available. While a majority of this work focuses on multi-dimensional molecules, a small section deals with the question of optimizing the hyperpolarizability of a one-dimensional system. It is suggested that the recently-proposed idea of "modulated conjugation" as a means for improving intrinsic molecular hyperpolarizability is based on subtle misinterpretations of computational results. Even so, the concept of modulated conjugation may lead to improved hyperpolarizabilities and possible reasons are discussed.

Effects of stratification and temperature on seed germination speed and uniformity in central Oregon ponderosa pine (Pinus ponderosa Dougl. ex Laws.).

Treesearch

John C. Weber; Frank C. Sorensen

1990-01-01

Effects of stratification period and incubation temperature on seed germination speed and uniformity were investigated in a bulked seed lot of 200 ponderosa pine trees (Pinus ponderosa Dougl. ex Laws.) sampled from 149 locations in central Oregon. Mean rate of embryo development towards germination (l/days to 50 percent germination) and standard...

Electrostatic Properties of Aqueous Salt Solution Interfaces: A Comparison of Polarizable and Non-Polarizable Ion Models

PubMed Central

Warren, G. Lee; Patel, Sandeep

2014-01-01

The effects of ion force field polarizability on the interfacial electrostatic properties of ~1 M aqueous solutions of NaCl, CsCl and NaI are investigated using molecular dynamics simulations employing both non-polarizable and Drude-polarizable ion sets. Differences in computed depth-dependent orientational distributions, “permanent” and induced dipole and quadrupole moment profiles, and interfacial potentials are obtained for both ion sets to further elucidate how ion polarizability affects interfacial electrostatic properties among the various salts relative to pure water. We observe that the orientations and induced dipoles of water molecules are more strongly perturbed in the presence of polarizable ions via a stronger ionic double layer effect arising from greater charge separation. Both anions and cations exhibit enhanced induced dipole moments and strong z alignment in the vicinity of the Gibbs dividing surface (GDS) with the magnitude of the anion induced dipoles being nearly an order of magnitude larger than those of the cations and directed into the vapor phase. Depth-dependent profiles for the trace and zz components of the water molecular quadrupole moment tensors reveal 40% larger quadrupole moments in the bulk phase relative to the vapor mimicking a similar observed 40% increase in the average water dipole moment. Across the GDS, the water molecular quadrupole moments increase non-monotonically (in contrast to the water dipoles) and exhibit a locally reduced contribution just below the surface due to both orientational and polarization effects. Computed interfacial potentials for the non-polarizable salts yield values 20 to 60 mV more positive than pure water and increase by an additional 30 to 100 mV when ion polarizability is included. A rigorous decomposition of the total interfacial potential into ion monopole, water and ion dipole, and water quadrupole components reveals that a very strong, positive ion monopole contribution is offset by negative contributions from all other potential sources. Water quadrupole components modulated by the water density contribute significantly to the observed interfacial potential increments and almost entirely explain observed differences in the interfacial potentials for the two chloride salts. By lumping all remaining non-quadrupole interfacial potential contributions into a single “effective” dipole potential, we observe that the ratio of quadrupole to “effective” dipole contributions range from 2:1 in CsCl to 1:1.5 in NaI suggesting that both contributions are comparably important in determining the interfacial potential increments. We also find that oscillations in the quadrupole potential in the double layer region are opposite in sign and partially cancel those of the “effective” dipole potential. PMID:18712908

Complete quantum control of exciton qubits bound to isoelectronic centres.

PubMed

Éthier-Majcher, G; St-Jean, P; Boso, G; Tosi, A; Klem, J F; Francoeur, S

2014-05-30

In recent years, impressive demonstrations related to quantum information processing have been realized. The scalability of quantum interactions between arbitrary qubits within an array remains however a significant hurdle to the practical realization of a quantum computer. Among the proposed ideas to achieve fully scalable quantum processing, the use of photons is appealing because they can mediate long-range quantum interactions and could serve as buses to build quantum networks. Quantum dots or nitrogen-vacancy centres in diamond can be coupled to light, but the former system lacks optical homogeneity while the latter suffers from a low dipole moment, rendering their large-scale interconnection challenging. Here, through the complete quantum control of exciton qubits, we demonstrate that nitrogen isoelectronic centres in GaAs combine both the uniformity and predictability of atomic defects and the dipole moment of semiconductor quantum dots. This establishes isoelectronic centres as a promising platform for quantum information processing.

Accurate Computation of Electric Field Enhancement Factors for Metallic Nanoparticles Using the Discrete Dipole Approximation

PubMed Central

2010-01-01

We model the response of nanoscale Ag prolate spheroids to an external uniform static electric field using simulations based on the discrete dipole approximation, in which the spheroid is represented as a collection of polarizable subunits. We compare the results of simulations that employ subunit polarizabilities derived from the Clausius–Mossotti relation with those of simulations that employ polarizabilities that include a local environmental correction for subunits near the spheroid’s surface [Rahmani et al. Opt Lett 27: 2118 (2002)]. The simulations that employ corrected polarizabilities give predictions in very good agreement with exact results obtained by solving Laplace’s equation. In contrast, simulations that employ uncorrected Clausius–Mossotti polarizabilities substantially underestimate the extent of the electric field “hot spot” near the spheroid’s sharp tip, and give predictions for the field enhancement factor near the tip that are 30 to 50% too small. PMID:20672062

Effects on a Landau-type system for a neutral particle with no permanent electric dipole moment subject to the Kratzer potential in a rotating frame.

PubMed

Oliveira, Abinael B; Bakke, Knut

2016-06-01

The behaviour of a neutral particle (atom, molecule) with an induced electric dipole moment in a region with a uniform effective magnetic field under the influence of the Kratzer potential (Kratzer 1920 Z. Phys. 3 , 289-307. (doi:10.1007/BF01327754)), and rotating effects is analysed. It is shown that the degeneracy of the Landau-type levels is broken and the angular frequency of the system acquires a new contribution that stems from the rotation effects. Moreover, in the search for bound state solutions, it is shown that the possible values of this angular frequency of the system are determined by the quantum numbers associated with the radial modes and the angular momentum, the angular velocity of the rotating frame and by the parameters associated with the Kratzer potential.

Non-integral-spin bosonic excitations in untextured magnets

NASA Astrophysics Data System (ADS)

Kamra, Akashdeep; Agrawal, Utkarsh; Belzig, Wolfgang

Interactions are responsible for intriguing physics, e.g. emergence of exotic ground states and excitations, in a wide range of systems. Here we theoretically demonstrate that dipole-dipole interactions lead to bosonic eigen-excitations with spin ranging from zero to above ℏ in magnets with uniformly magnetized ground states. These exotic excitations can be interpreted as quantum coherent conglomerates of magnons, the eigen-excitations when the dipolar interactions are disregarded. We further find that the eigenmodes in an easy-axis antiferromagnet are spin-zero quasiparticles instead of the widely believed spin +/- ℏ magnons. The latter re-emerge when the symmetry is broken by a sufficiently large applied magnetic field. The spin greater than ℏ is accompanied by vacuum fluctuations and may be considered a weak form of frustration. We acknowledge financial support from the Alexander von Humboldt Foundation and the DFG through SFB 767.

Electroosmotic Mixing in Nanochannels

NASA Astrophysics Data System (ADS)

Conlisk, A. T.; Chen, Lei

2004-11-01

Electroosmotic flow in nanochannels is characterized by low Reynolds number in which flow mixing is difficult because of the dominance of molecular diffusion. Previous work shows that heterogenerous surface potential could generate a circulation region within the bulk flow near the surface. But all of this work requires that the ionic species be pairs of ions of equal and opposite valence and the distribution of ions is not considered. In the present work the electroosmotic flow in a rectangular channel with non-uniform zeta potential is examined. A model for the two dimensional electroosmotic flow problem is established. The distributions of potential, velocity and mole fractions are calculated numerically. Vortex formation is observed within the bulk flow near the the region of non-uniform zeta potential which suggests mixing can be induced.

Intensity analysis of XPS spectra to determine oxide uniformity - Application to SiO2/Si interfaces

NASA Technical Reports Server (NTRS)

Vasquez, R. P.; Grunthaner, F. J.

1980-01-01

A simple method of determining oxide uniformity is derived which requires no knowlege of film thickness, escape depth, or film composition. The method involves only the measurement of oxide and substrate intensities and is illustrated by analysis of XPS spectral data for thin SiO2 films grown both thermally and by low-temperature chemical vapor deposition on monocrystalline Si. A region 20-30 A thick is found near the SiO2/Si interface on thermally oxidized samples which has an inelastic mean free path 35% less than that found in the bulk oxide. This is interpreted as being due to lattice mismatch resulting in a strained region which is structurally, but not stoichiometrically, distinct from the bulk oxide.

Enhanced third-harmonic generation in silicon nanoparticles driven by magnetic response.

PubMed

Shcherbakov, Maxim R; Neshev, Dragomir N; Hopkins, Ben; Shorokhov, Alexander S; Staude, Isabelle; Melik-Gaykazyan, Elizaveta V; Decker, Manuel; Ezhov, Alexander A; Miroshnichenko, Andrey E; Brener, Igal; Fedyanin, Andrey A; Kivshar, Yuri S

2014-11-12

We observe enhanced third-harmonic generation from silicon nanodisks exhibiting both electric and magnetic dipolar resonances. Experimental characterization of the nonlinear optical response through third-harmonic microscopy and spectroscopy reveals that the third-harmonic generation is significantly enhanced in the vicinity of the magnetic dipole resonances. The field localization at the magnetic resonance results in two orders of magnitude enhancement of the harmonic intensity with respect to unstructured bulk silicon with the conversion efficiency limited only by the two-photon absorption in the substrate.

Determining polarizable force fields with electrostatic potentials from quantum mechanical linear response theory

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

Wang, Hao; Yang, Weitao, E-mail: weitao.yang@duke.edu; Department of Physics, Duke University, Durham, North Carolina 27708

We developed a new method to calculate the atomic polarizabilities by fitting to the electrostatic potentials (ESPs) obtained from quantum mechanical (QM) calculations within the linear response theory. This parallels the conventional approach of fitting atomic charges based on electrostatic potentials from the electron density. Our ESP fitting is combined with the induced dipole model under the perturbation of uniform external electric fields of all orientations. QM calculations for the linear response to the external electric fields are used as input, fully consistent with the induced dipole model, which itself is a linear response model. The orientation of the uniformmore » external electric fields is integrated in all directions. The integration of orientation and QM linear response calculations together makes the fitting results independent of the orientations and magnitudes of the uniform external electric fields applied. Another advantage of our method is that QM calculation is only needed once, in contrast to the conventional approach, where many QM calculations are needed for many different applied electric fields. The molecular polarizabilities obtained from our method show comparable accuracy with those from fitting directly to the experimental or theoretical molecular polarizabilities. Since ESP is directly fitted, atomic polarizabilities obtained from our method are expected to reproduce the electrostatic interactions better. Our method was used to calculate both transferable atomic polarizabilities for polarizable molecular mechanics’ force fields and nontransferable molecule-specific atomic polarizabilities.« less

Microgravity Experiments to Evaluate Electrostatic Forces in Controlling Cohesion and Adhesion of Granular Materials

NASA Technical Reports Server (NTRS)

Marshall, J.; Weislogel, M.; Jacobson, T.

1999-01-01

The bulk behavior of dispersed, fluidized, or undispersed stationary granular systems cannot be fully understood in terms of adhesive/cohesive properties without understanding the role of electrostatic forces acting at the level of the grains themselves. When grains adhere to a surface, or come in contact with one another in a stationary bulk mass, it is difficult to measure the forces acting on the grains, and the forces themselves that induced the cohesion and adhesion are changed. Even if a single gain were to be scrutinized in the laboratory, it might be difficult, perhaps impossible, to define the distribution and character of surface charging and the three- dimensional relationship that charges (electrons, holes) have to one another. The hypothesis that we propose to test in microgravity (for dielectric materials) is that adhesion and cohesion of granular matter are mediated primarily by dipole forces that do not require the presence of a net charge; in fact, nominally electrically neutral materials should express adhesive and cohesive behavior when the neutrality results from a balance of positive and negative charge carriers. Moreover, the use of net charge alone as a measure of the electrical nature of grain-to-grain relationships within a granular mass may be misleading. We believe that the dipole forces arise from the presence of randomly-distributed positive and negative fixed charge carriers on grains that give rise to a resultant dipole moment. These dipole forces have long-range attraction. Random charges are created whenever there is triboelectrical activity of a granular mass, that is, whenever the grains experience contact/separation sequences or friction. Electrostatic forces are generally under-estimated for their role in causing agglomeration of dispersed grains in particulate clouds, or their role in affecting the internal frictional relationships in packed granular masses. We believe that electrostatic, in particular dipole-mediated processes, are pervasive and probably affect, at some level, everything from astrophysical-scale granular systems such as interstellar nebulae, protoplanetary dust and debris disks, planetary-scale systems such as debris palls from meteorite impact, volcanic eruptions, and aeolian dust storms, all the way to industrial-scale systems in mining, powder and grain processing, pharmaceuticals, and smoke-stack technologies. NASA must concern itself with the electrostatic behavior of dust and sand on Mars because of its potentially critical importance to human exploration. The motion and adhesion of martian surface materials will affect the design and performance of spacesuits, habitats, processing plants, solar panels, and any externally exposed equipment such as surface rovers or communication and weather stations. Additionally, the adhesion of dust and sand could greatly enhance contact with the potentially toxic components of the martian soil.

Dynamic nuclear polarization assisted spin diffusion for the solid effect case.

PubMed

Hovav, Yonatan; Feintuch, Akiva; Vega, Shimon

2011-02-21

The dynamic nuclear polarization (DNP) process in solids depends on the magnitudes of hyperfine interactions between unpaired electrons and their neighboring (core) nuclei, and on the dipole-dipole interactions between all nuclei in the sample. The polarization enhancement of the bulk nuclei has been typically described in terms of a hyperfine-assisted polarization of a core nucleus by microwave irradiation followed by a dipolar-assisted spin diffusion process in the core-bulk nuclear system. This work presents a theoretical approach for the study of this combined process using a density matrix formalism. In particular, solid effect DNP on a single electron coupled to a nuclear spin system is considered, taking into account the interactions between the spins as well as the main relaxation mechanisms introduced via the electron, nuclear, and cross-relaxation rates. The basic principles of the DNP-assisted spin diffusion mechanism, polarizing the bulk nuclei, are presented, and it is shown that the polarization of the core nuclei and the spin diffusion process should not be treated separately. To emphasize this observation the coherent mechanism driving the pure spin diffusion process is also discussed. In order to demonstrate the effects of the interactions and relaxation mechanisms on the enhancement of the nuclear polarization, model systems of up to ten spins are considered and polarization buildup curves are simulated. A linear chain of spins consisting of a single electron coupled to a core nucleus, which in turn is dipolar coupled to a chain of bulk nuclei, is considered. The interaction and relaxation parameters of this model system were chosen in a way to enable a critical analysis of the polarization enhancement of all nuclei, and are not far from the values of (13)C nuclei in frozen (glassy) organic solutions containing radicals, typically used in DNP at high fields. Results from the simulations are shown, demonstrating the complex dependences of the DNP-assisted spin diffusion process on variations of the relevant parameters. In particular, the effect of the spin lattice relaxation times on the polarization buildup times and the resulting end polarization are discussed, and the quenching of the polarizations by the hyperfine interaction is demonstrated.

Phase restructuring in transition metal dichalcogenides for highly stable energy storage

DOE PAGES

Leng, Kai; Chen, Zhongxin; Zhao, Xiaoxu; ...

2016-09-16

Achieving homogeneous phase transition and uniform charge distribution is essential for good cycle stability and high capacity when phase conversion materials are used as electrodes. Herein, we show that chemical lithiation of bulk 2H-MoS 2 distorts its crystalline domains in three primary directions to produce mosaic-like 1T' nanocrystalline domains, which improve phase and charge uniformity during subsequent electrochemical phase conversion. 1T'-Li xMoS 2, a macroscopic dense material with interconnected nanoscale grains, shows excellent cycle stability and rate capability in a lithium rechargeable battery compared to bulk or exfoliated-restacked MoS 2. Transmission electron microscopy studies reveal that the interconnected MoS 2more » nanocrystals created during the phase change process are reformable even after multiple cycles of galvanostatic charging/discharging, which allows them to play important roles in the long term cycling performance of the chemically intercalated TMD materials. Finally, these studies shed light on how bulk TMDs can be processed into quasi-2D nanophase material for stable energy storage.« less

Finite Element Modeling of the Bulk Magnitization of Railroad Wheels to Improve Test Conditions for Magnetoacoustic Residual Stress Measurements

NASA Technical Reports Server (NTRS)

Fulton, J. P.; Wincheski, B.; Namkung, M.; Utrata, D.

1992-01-01

The magnetoacoustic measurement technique has been used successfully for residual stress measurements in laboratory samples. However, when used to field test samples with complex geometries, such as railroad wheels, the sensitivity of the method declines dramatically. It has been suggested that the decrease in performance may be due, in part, to an insufficient or nonuniform magnetic induction in the test sample. The purpose of this paper is to optimize the test conditions by using finite element modeling to predict the distribution of the induced bulk magnetization of railroad wheels. The results suggest that it is possible to obtain a sufficiently large and uniform bulk magnetization by altering the shape of the electromagnet used in the tests. Consequently, problems associated with bulk magnetization can be overcome, and should not prohibit the magnetoacoustic technique from being used to make residual stress measurements in railroad wheels. We begin by giving a brief overview of the magnetoacoustic technique as it applies to residual stress measurements of railroad wheels. We then define the finite element model used to predict the behavior of the current test configuration along with the nonlinear constitutive relations which we obtained experimentally through measurements on materials typically used to construct both railroad wheels and electromagnets. Finally, we show that by modifying the pole of the electromagnet it is possible to obtain a significantly more uniform bulk magnetization in the region of interest.

Dynamically assisted Schwinger effect beyond the spatially-uniform-field approximation

NASA Astrophysics Data System (ADS)

Aleksandrov, I. A.; Plunien, G.; Shabaev, V. M.

2018-06-01

We investigate the phenomenon of electron-positron pair production from vacuum in the presence of a strong electric field superimposed by a weak but fast varying pulse which substantially increases the total particle yield. We employ a nonperturbative numerical technique and perform the calculations beyond the spatially-uniform-field approximation, i.e., dipole approximation, taking into account the coordinate dependence of the fast component. The analysis of the main characteristics of the pair-production process (momentum spectra of particles and total amount of pairs) reveals a number of important features which are absent within the previously used approximation. In particular, the structure of the momentum distribution is modified both qualitatively and quantitatively, and the total number of pairs created as well as the enhancement factor due to dynamical assistance become significantly smaller.

Corkscrew Motion of an Electron Beam due to Coherent Variations in Accelerating Potentials

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

Ekdahl, Carl August

2016-09-13

Corkscrew motion results from the interaction of fluctuations of beam electron energy with accidental magnetic dipoles caused by misalignment of the beam transport solenoids. Corkscrew is a serious concern for high-current linear induction accelerators (LIA). A simple scaling law for corkscrew amplitude derived from a theory based on a constant-energy beam coasting through a uniform magnetic field has often been used to assess LIA vulnerability to this effect. We use a beam dynamics code to verify that this scaling also holds for an accelerated beam in a non-uniform magnetic field, as in a real accelerator. Results of simulations with thismore » code are strikingly similar to measurements on one of the LIAs at Los Alamos National Laboratory.« less

The Størmer problem for an aligned rotator

NASA Astrophysics Data System (ADS)

Epp, V.; Pervukhina, O. N.

2018-03-01

The effective potential energy of the particles in the field of rotating uniformly magnetized celestial body is investigated. The axis of rotation coincides with the axis of the magnetic field. Electromagnetic field of the body is composed of a dipole magnetic and quadrupole electric fields. The geometry of the trapping regions is studied as a function of the magnetic field magnitude and the rotation speed of the body. Examples of the potential energy topology for different values of these parameters are given. The main difference from the classical Størmer problem is that the single toroidal trapping region predicted by Størmer is divided into equatorial and off-equatorial trapping regions. Applicability of the idealized model of a rotating uniformly magnetized sphere with a vacuum magnetosphere to real celestial bodies is discussed.

The effect of dipole-dipole interactions on coercivity, anisotropy constant, and blocking temperature of MnFe2O4 nanoparticles

NASA Astrophysics Data System (ADS)

Aslibeiki, B.; Kameli, P.; Salamati, H.

2016-02-01

Superparamagnetic manganese ferrite nanoparticles with mean size of = 6.5(±1.5) nm were synthesized through a solvothermal method using Tri-ethylene glycol as a solvent. The peak temperature of zero field cooled measurements of magnetization and AC magnetic susceptibility curves shifted toward higher temperatures by applying different pressures from 0 to 1 kbar and increasing the powders compaction. The frequency dependence of AC susceptibility measurements indicated the presence of weak dipole-dipole interactions between nanoparticles. By increasing the powders compaction and interactions strength, the coercive field (Hc) increased and squareness (Mr/Ms) decreased. The obtained effective anisotropy constant (Keff), by susceptibility measurements, was from 1.72 × 106 to 2.36 × 106 ergs/cm3 for pressure of 0 to 1 kbar. These values are larger than those obtained from hysteresis loops at 5 K (0.14 × 106 to 0.34 × 106 erg/cm3). Also, the Keff was two orders of magnitude greater than that of bulk MnFe2O4. Size, surface effects, and total energy barrier between equilibrium states were reported as the main causes of large anisotropy. Below 75 K, a signature of weak surface spin glass was observed. However, memory effect experiment indicated that there is no collective superspin glass state in the samples. This study suggests the role of powders compaction on properties of a magnetic nanoparticles system. Furthermore, the coercivity, the anisotropy constant, and the blocking temperature are affected by changing nanoparticles compaction.

Energy of charged states in the acetanilide crystal: Trapping of charge-transfer states at vacancies as a possible mechanism for optical damage

NASA Astrophysics Data System (ADS)

Tsiaousis, D.; Munn, R. W.

2004-04-01

Calculations for the acetanilide crystal yield the effective polarizability (16.6 Å3), local electric field tensor, effective dipole moment (5.41 D), and dipole-dipole energy (-12.8 kJ/mol). Fourier-transform techniques are used to calculate the polarization energy P for a single charge in the perfect crystal (-1.16 eV); the charge-dipole energy WD is zero if the crystal carries no bulk dipole moment. Polarization energies for charge-transfer (CT) pairs combine with the Coulomb energy EC to give the screened Coulomb energy Escr; screening is nearly isotropic, with Escr≈EC/2.7. For CT pairs WD reduces to a term δWD arising from the interaction of the charge on each ion with the change in dipole moment on the other ion relative to the neutral molecule. The dipole moments calculated by density-functional theory methods with the B3LYP functional at the 6-311++G** level are 3.62 D for the neutral molecule, changing to 7.13 D and 4.38 D for the anion and cation, relative to the center of mass. Because of the large change in the anion, δWD reaches -0.9 eV and modifies the sequence of CT energies markedly from that of Escr, giving the lowest two CT pairs at -1.98 eV and -1.41 eV. The changes in P and WD near a vacancy are calculated; WD changes for the individual charges because the vacancy removes a dipole moment and modifies the crystal dielectric response, but δWD and EC do not change. A vacancy yields a positive change ΔP that scatters a charge or CT pair, but the change ΔWD can be negative and large enough to outweigh ΔP, yielding traps with depths that can exceed 150 meV for single charges and for CT pairs. Divacancies yield traps with depths nearly equal to the sum of those produced by the separate vacancies and so they can exceed 300 meV. These results are consistent with a mechanism of optical damage in which vacancies trap optically generated CT pairs that recombine and release energy; this can disrupt the lattice around the vacancy, thereby favoring trapping and recombination of CT pairs generated by subsequent photon absorption, leading to further lattice disruption. Revisions to previous calculations on trapping of CT pairs in anthracene are reported.

Developing interface localized liquid dielectrophoresis for optical applications

NASA Astrophysics Data System (ADS)

McHale, Glen; Brown, Carl V.; Newton, Michael I.; Wells, Gary G.; Sampara, Naresh

2012-11-01

Electrowetting charges the solid-liquid interface to change the contact area of a droplet of a conducting liquid. It is a powerful technique used to create variable focus liquid lenses, electronic paper and other devices, but it depends upon ions within the liquid. Liquid dielectrophoresis (L-DEP) is a bulk force acting on the dipoles throughout a dielectric liquid and is not normally considered to be a localized effect acting at the interface between the liquid and a solid or other fluid. In this work, we show theoretically how non-uniform electric fields generated by interdigitated electrodes can effectively convert L-DEP into an interface localized form. We show that for droplets of sufficient thickness, the change in the cosine of the contact angle is proportional to the square of the applied voltage and so obeys a similar equation to that for electrowetting - this we call dielectrowetting. However, a major difference to electrowetting is that the strength of the effect is controlled by the electrode spacing and the liquid permittivity rather than the properties of an insulator in a sandwich structure. Experimentally, we show that that this dielectrowetting equation accurately describes the contact angle of a droplet of oil viewed across parallel interdigitated electrodes. Importantly, the induced spreading can be complete, such that contact angle saturation does not occur. We then show that for thin films, L-DEP can shape the liquid-air interface creating a spatially periodic wrinkle and that such a wrinkle can be used to create a voltage programmable phase diffraction grating.

Interfacial Energy Alignment at the ITO/Ultra-Thin Electron Selective Dielectric Layer Interface and Its Effect on the Efficiency of Bulk-Heterojunction Organic Solar Cells.

PubMed

Itoh, Eiji; Goto, Yoshinori; Saka, Yusuke; Fukuda, Katsutoshi

2016-04-01

We have investigated the photovoltaic properties of an inverted bulk heterojunction (BHJ) cell in a device with an indium-tin-oxide (ITO)/electron selective layer (ESL)/P3HT:PCBM active layer/MoOx/Ag multilayered structure. The insertion of only single layer of poly(diallyl-dimethyl-ammonium chloride) (PDDA) cationic polymer film (or poly(ethyleneimine) (PEI) polymeric interfacial dipole layer) and titanium oxide nanosheet (TN) films as an ESL effectively improved cell performance. Abnormal S-shaped curves were observed in the inverted BHJ cells owing to the contact resistance across the ITO/active layer interface and the ITO/PDDA/TN/active layer interface. The series resistance across the ITO/ESL interface in the inverted BHJ cell was successfully reduced using an interfacial layer with a positively charged surface potential with respect to ITO base electrode. The positive dipole in PEI and the electronic charge phenomena at the electrophoretic deposited TN (ED-TN) films on ITO contributed to the reduction of the contact resistance at the electrode interface. The surface potential measurement revealed that the energy alignment by the transfer of electronic charges from the ED-TN to the base electrodes. The insertion of the ESL with a large positive surface potential reduced the potential barrier for the electron injection at ITO/TN interface and it improved the photovoltaic properties of the inverted cell with an ITO/TN/active layer/MoOx/Ag structure.

Opening the cusp. [using magnetic field topology

NASA Technical Reports Server (NTRS)

Crooker, N. U.; Toffoletto, F. R.; Gussenhoven, M. S.

1991-01-01

This paper discusses the magnetic field topology (determined by the superposition of dipole, image, and uniform fields) for mapping the cusp to the ionosphere. The model results are compared to both new and published observations and are then used to map the footprint of a flux transfer event caused by a time variation in the merging rate. It is shown that the cusp geometry distorts the field lines mapped from the magnetopause to yield footprints with dawn and dusk protrusions into the region of closed magnetic flux.

Uniformly dense polymeric foam body

DOEpatents

Whinnery, Jr., Leroy

2003-07-15

A method for providing a uniformly dense polymer foam body having a density between about 0.013 g/cm.sup.3 to about 0.5 g/cm.sup.3 is disclosed. The method utilizes a thermally expandable polymer microsphere material wherein some of the microspheres are unexpanded and some are only partially expanded. It is shown that by mixing the two types of materials in appropriate ratios to achieve the desired bulk final density, filling a mold with this mixture so as to displace all or essentially all of the internal volume of the mold, heating the mold for a predetermined interval at a temperature above about 130.degree. C., and then cooling the mold to a temperature below 80.degree. C. the molded part achieves a bulk density which varies by less then about .+-.6% everywhere throughout the part volume.

Intrinsic Enhancement of Dielectric Permittivity in (Nb + In) co-doped TiO2 single crystals.

PubMed

Kawarasaki, Masaru; Tanabe, Kenji; Terasaki, Ichiro; Fujii, Yasuhiro; Taniguchi, Hiroki

2017-07-13

The development of dielectric materials with colossal permittivity is important for the miniaturization of electronic devices and fabrication of high-density energy-storage devices. The electron-pinned defect-dipoles has been recently proposed to boost the permittivity of (Nb + In) co-doped TiO 2 to 10 5 . However, the follow-up studies suggest an extrinsic contribution to the colossal permittivity from thermally excited carriers. Herein, we demonstrate a marked enhancement in the permittivity of (Nb + In) co-doped TiO 2 single crystals at sufficiently low temperatures such that the thermally excited carriers are frozen out and exert no influence on the dielectric response. The results indicate that the permittivity attains quadruple of that for pure TiO 2 . This finding suggests that the electron-pinned defect-dipoles add an extra dielectric response to that of the TiO 2 host matrix. The results offer a novel approach for the development of functional dielectric materials with large permittivity by engineering complex defects into bulk materials.

A multi-model ensemble view of winter heat flux dynamics and the dipole mode in the Mediterranean Sea

NASA Astrophysics Data System (ADS)

Liguori, Giovanni; Di Lorenzo, Emanuele; Cabos, William

2017-02-01

Changes in surface heat fluxes affect several climate processes controlling the Mediterranean climate. These include the winter formation of deep waters, which is the primary driver of the Mediterranean Sea overturning circulation. Previous studies that characterize the spatial and temporal variability of surface heat flux anomalies over the basin reveal the existence of two statistically dominant patterns of variability: a monopole of uniform sign and an east-west dipole of opposite signs. In this work, we use the 12 regional climate model ensemble from the EU-FP6 ENSEMBLES project to diagnose the large-scale atmospheric processes that control the variability of heat fluxes over the Mediterranean Sea from interannual to decadal timescales (here defined as timescales > 6 year). Our findings suggest that while the monopole structure captures variability in the winter-to-winter domain-average net heat flux, the dipole pattern tracks changes in the Mediterranean climate that are connected to the East Atlantic/Western Russia (EA/WR) atmospheric teleconnection pattern. Furthermore, while the monopole exhibits significant differences in the spatial structure across the multi-model ensemble, the dipole pattern is very robust and more clearly identifiable in the anomaly maps of individual years. A heat budget analysis of the dipole pattern reveals that changes in winds associated with the EA/WR pattern exert dominant control through both a direct effect on the latent heat flux (i.e., wind speed) and an indirect effect through specific humidity (e.g., wind advection). A simple reconstruction of the heat flux variability over the deep-water formation regions of the Gulf of Lion and the Aegean Sea reveals that the combination of the monopole and dipole time series explains over 90 % of the heat flux variance in these regions. Given the important role that surface heat flux anomalies play in deep-water formation and the regional climate, improving our knowledge on the dynamics controlling the leading modes of heat flux variability may enhance our predictability of the climate of the Mediterranean area.

Dielectric aggregation kinetics of cells in a uniform AC electric field.

PubMed

Tada, Shigeru; Natsuya, Tomoyuki; Tsukamoto, Akira

2014-01-01

Cell manipulation and separation technologies have potential biological and medical applications, including advanced clinical protocols such as tissue engineering. An aggregation model was developed for a human carcinoma (HeLa) cell suspension exposed to a uniform AC electric field, in order to explore the field-induced structure formation and kinetics of cell aggregates. The momentum equations of cells under the action of the dipole-dipole interaction were solved theoretically and the total time required to form linear string-like cluster was derived. The results were compared with those of a numerical simulation. Experiments using HeLa cells were also performed for comparison. The total time required to form linear string-like clusters was derived from a simple theoretical model of the cell cluster kinetics. The growth rates of the average string length of cell aggregates showed good agreement with those of the numerical simulation. In the experiment, cells were found to form massive clusters on the bottom of a chamber. The results imply that the string-like cluster grows rapidly by longitudinal attraction when the electric field is first applied and that this process slows at later times and is replaced by lateral coagulation of short strings. The findings presented here are expected to enable design of methods for the organization of three-dimensional (3D) cellular structures without the use of micro-fabricated substrates, such as 3D biopolymer scaffolds, to manipulate cells into spatial arrangement.

Cosmic Bulk Flow and the Local Motion from Cosmicflows-2

NASA Astrophysics Data System (ADS)

Courtois, Helene M.; Hoffman, Yehuda; Tully, R. Brent

2015-08-01

Full sky surveys of peculiar velocity are arguably the best way to map the large scale structure out to distances of a few times 100 Mpc/h.Using the largest and most accurate ever catalog of galaxy peculiar velocities Cosmicflows-2, the large scale structure has been reconstructed by means of the Wiener filter and constrained realizations assuming as a Bayesian prior model the LCDM standard model of cosmology. The present paper focuses on studying the bulk flow of the local flow field, defined as the mean velocity of top-hat spheres with radii ranging out to R=500 Mpc/h. Our main results is that the estimated bulk flow is consistent with the LCDM model with the WMAP inferred cosmological parameters. At R=50 (150)Mpc/h the estimated bulk velocity is 250 +/- 21 (239 +/- 38) km/s. The corresponding cosmic variance at these radii is 126 (60) km/s, which implies that these estimated bulk flows are dominated by the data and not by the assumed prior model. The estimated bulk velocity is dominated by the data out to R ˜200 Mpc/h, where the cosmic variance on the individual Supergalactic Cartesian components (of the r.m.s. values) exceeds the variance of the constrined realizations by at least a factor of 2. The SGX and SGY components of the CMB dipole velocity are recovered by the Wiener Filter velocity field down to a very few km/s. The SGZ component of the estimated velocity, the one that is most affected by the Zone of Avoidance, is off by 126km/s (an almost 2 sigma discrepancy).The bulk velocity analysis reported here is virtually unaffected by the Malmquist bias and very similar results are obtained for the data with and without the bias correction.

Method for forming a uniformly dense polymer foam body

DOEpatents

Whinnery, Jr., Leroy

2002-01-01

A method for providing a uniformly dense polymer foam body having a density between about 0.013 .sup.g /.sub.cm.sup..sub.3 to about 0.5 .sup.g /.sub.cm.sup..sub.3 is disclosed. The method utilizes a thermally expandable polymer microballoon material wherein some of the microballoons are unexpanded and some are only partially expanded. It is shown that by mixing the two types of materials in appropriate ratios to achieve the desired bulk final density, filling a mold with this mixture so as to displace all or essentially all of the internal volume of the mold, heating the mold for a predetermined interval at a temperature above about 130.degree. C., and then cooling the mold to a temperature below 80.degree. C. the molded part achieves a bulk density which varies by less then about .+-.6% everywhere throughout the part volume.

The effect of dipole-dipole interactions on coercivity, anisotropy constant, and blocking temperature of MnFe{sub 2}O{sub 4} nanoparticles

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

Aslibeiki, B., E-mail: b.aslibeiki@tabrizu.ac.ir; Kameli, P.; Salamati, H.

2016-02-14

Superparamagnetic manganese ferrite nanoparticles with mean size of 〈D〉 = 6.5(±1.5) nm were synthesized through a solvothermal method using Tri-ethylene glycol as a solvent. The peak temperature of zero field cooled measurements of magnetization and AC magnetic susceptibility curves shifted toward higher temperatures by applying different pressures from 0 to 1 kbar and increasing the powders compaction. The frequency dependence of AC susceptibility measurements indicated the presence of weak dipole-dipole interactions between nanoparticles. By increasing the powders compaction and interactions strength, the coercive field (H{sub c}) increased and squareness (M{sub r}/M{sub s}) decreased. The obtained effective anisotropy constant (K{sub eff}), by susceptibilitymore » measurements, was from 1.72 × 10{sup 6} to 2.36 × 10{sup 6 }ergs/cm{sup 3} for pressure of 0 to 1 kbar. These values are larger than those obtained from hysteresis loops at 5 K (0.14 × 10{sup 6} to 0.34 × 10{sup 6 }erg/cm{sup 3}). Also, the K{sub eff} was two orders of magnitude greater than that of bulk MnFe{sub 2}O{sub 4}. Size, surface effects, and total energy barrier between equilibrium states were reported as the main causes of large anisotropy. Below 75 K, a signature of weak surface spin glass was observed. However, memory effect experiment indicated that there is no collective superspin glass state in the samples. This study suggests the role of powders compaction on properties of a magnetic nanoparticles system. Furthermore, the coercivity, the anisotropy constant, and the blocking temperature are affected by changing nanoparticles compaction.« less

Low-Temperature Reactivity of C2n+1N(-) Anions with Polar Molecules.

PubMed

Joalland, Baptiste; Jamal-Eddine, Nour; Kłos, Jacek; Lique, François; Trolez, Yann; Guillemin, Jean-Claude; Carles, Sophie; Biennier, Ludovic

2016-08-04

Following the recent discovery of molecular anions in the interstellar medium, we report on the kinetics of proton transfer reactions between cyanopolyynide anions C2n+1N(-) (n = 0, 1, 2) and formic acid HCOOH. The results, obtained from room temperature down to 36 K by means of uniform supersonic flows, show a surprisingly weak temperature dependence of the CN(-) reaction rate, in contrast with longer chain anions. The CN(-) + HCOOH reaction is further studied theoretically via a reduced dimensional quantum model that highlights a tendency of the reaction probability to decrease with temperature, in agreement with experimental data but at the opposite of conventional long-range capture theories. In return, comparing HCOOH to HC3N as target molecules suggests that dipole-dipole interactions must play an active role in overcoming this limiting effect at low temperatures. This work provides new fundamental insights on prototypical reactions between polar anions and polar molecules along with critical data for astrochemical modeling.

Synthesis, structure, and luminescence properties of SrSiAl2O3N2:Eu(2+) phosphors for light-emitting devices and field emission displays.

PubMed

Wang, Xicheng; Zhao, Zhengyan; Wu, Quansheng; Li, Yanyan; Wang, Chuang; Mao, Aijun; Wang, Yuhua

2015-06-28

A series of SrSiAl2O3N2:Eu(2+) (0.005 ≤x≤ 0.05) phosphors were successfully synthesized through a pressureless, facile, and efficient solid state route. The crystal structure, band structure, and their photoluminescence and cathodoluminescence properties were investigated in detail. The phosphors exhibit rod shape morphology with a uniform Eu(2+) distribution. Under n-UV excitation the emission spectra shift from 477 to 497 nm with an increase of Eu(2+) concentration. The concentration quenching mechanism of Eu(2+) emission was dominated by the dipole-dipole interaction. The thermal stability is comparable to that of the commercial Ba2SiO4:Eu(2+) phosphor. The phosphor also exhibits high current saturation and high resistance under low voltage electron bombardment. All the results indicate that the SrSiAl2O3N2:Eu(2+) phosphors can be considered as candidates for application in both white LEDs and FEDs.

Experimental detection of long-distance interactions between biomolecules through their diffusion behavior: numerical study.

PubMed

Nardecchia, Ilaria; Spinelli, Lionel; Preto, Jordane; Gori, Matteo; Floriani, Elena; Jaeger, Sebastien; Ferrier, Pierre; Pettini, Marco

2014-08-01

The dynamical properties and diffusive behavior of a collection of mutually interacting particles are numerically investigated for two types of long-range interparticle interactions: Coulomb-electrostatic and dipole-electrodynamic. It is shown that when the particles are uniformly distributed throughout the accessible space, the self-diffusion coefficient is always lowered by the considered interparticle interactions, irrespective of their attractive or repulsive character. This fact is also confirmed by a simple model to compute the correction to the Brownian diffusion coefficient due to the interactions among the particles. These interactions are also responsible for the onset of dynamical chaos and an associated chaotic diffusion which still follows an Einstein-Fick-like law for the mean-square displacement as a function of time. Transitional phenomena are observed for Coulomb-electrostatic (repulsive) and dipole-electrodynamic (attractive) interactions considered both separately and in competition. The outcomes reported in this paper clearly indicate a feasible experimental method to probe the activation of resonant electrodynamic interactions among biomolecules.

A one-pot strategy for biomimetic synthesis and self-assembly of gold nanoparticles

NASA Astrophysics Data System (ADS)

Wang, Yi; Chen, Li Qiang; Li, Yuan Fang; Zhao, Xi Juan; Peng, Li; Zhi Huang, Cheng

2010-07-01

A simple, one-pot and controllable strategy is reported in this contribution for biomimetic synthesis and self-assembly of gold nanoparticles (Au-NPs). It involves our synthesized polyaldehyde dextran (PAD), which has been proved to be a biomacromolecule with excellent biocompatibility and biodegradability, acting as both a reducing agent and a stabilizer. The morphology of the as-prepared Au-NP assemblies can be controlled by adjusting the reaction conditions, such as the concentration of aldehyde in PAD, the reaction time and the temperature. Investigations of the mechanism suggest that stabilizers may distribute on different crystal facets of NPs non-uniformly owing to the different binding forces, and dipole-dipole interaction of NPs could be the main driving force for the assembly of Au-NPs. In addition, intermolecular hydrogen bonding interaction of stabilizers could also act as a possible driving force. The excellent biocompatibility of the Au-NP assemblies makes them promising candidates for fabricating future optical nanodevices and application in biological systems.

Brillouin Light Scattering from Magnetic Excitations in Superparamagnetic and Ferromagnetic Co-Al-O Granular Films

NASA Astrophysics Data System (ADS)

Yoshihara, Akira; Maeda, Toshiteru; Kawamura, Satoshi; Nakamura, Shintaro; Nojima, Tsutomu; Takeda, Yoshihiko; Ohnuma, Shigehiro

2018-04-01

A systematic study of Brillouin light scattering (BLS) from superparamagnetic (SPM) and ferromagnetic (FM) Co-Al-O granular films was performed under magnetic fields of up to 4.6 kOe in the standard backscattering geometry at room temperature. The SPM and FM boundary, defined as the Co composition at which the exchange field vanishes, was found to be located at xC(Co) = 59.3 ± 1.3 at. %. From FM films we observed a pair of bulk spin-wave peaks on both the positive- and negative-frequency sides and a surface localized Damon-Eshbach peak only on the positive-frequency side under the present scattering conditions. From SPM films, a pair of broader but propagative excitation peaks with asymmetric intensity were observed on both frequency sides in a spectrum. We performed a numerical analysis of the BLS spectrum by employing the theory developed by Camley and Mills (CM) while retaining dipole and exchange couplings for FM films and only dipole coupling for SPM films. The CM theory successfully reproduced the observed spectrum for both SPM and FM films. The SPM spectrum exhibits a singlet-doublet peak structure similarly to an FM SW spectrum. The SPM peak stems from the dipole-coupled larger-amplitude precession motion of the granule magnetic moment around the external-field-induced magnetization.

Compositional disorder and its effect on the thermoelectric performance of Zn₃P₂ nanowire-copper nanoparticle composites.

PubMed

Brockway, Lance; Vasiraju, Venkata; Vaddiraju, Sreeram

2014-03-28

Recent studies indicated that nanowire format of materials is ideal for enhancing the thermoelectric performance of materials. Most of these studies were performed using individual nanowires as the test elements. It is not currently clear whether bulk assemblies of nanowires replicate this enhanced thermoelectric performance of individual nanowires. Therefore, it is imperative to understand whether enhanced thermoelectric performance exhibited by individual nanowires can be extended to bulk assemblies of nanowires. It is also imperative to know whether the addition of metal nanoparticle to semiconductor nanowires can be employed for enhancing their thermoelectric performance further. Specifically, it is important to understand the effect of microstructure and composition on the thermoelectric performance on bulk compound semiconductor nanowire-metal nanoparticle composites. In this study, bulk composites composed of mixtures of copper nanoparticles with either unfunctionalized or 1,4-benzenedithiol (BDT) functionalized Zn₃P₂ nanowires were fabricated and analyzed for their thermoelectric performance. The results indicated that use of BDT functionalized nanowires for the fabrication of composites leads to interface-engineered composites that have uniform composition all across their cross-section. The interface engineering allows for increasing their Seebeck coefficients and electrical conductivities, relative to the Zn₃P₂ nanowire pellets. In contrast, the use of unfunctionalized Zn₃P₂ nanowires for the fabrication of composite leads to the formation of composites that are non-uniform in composition across their cross-section. Ultimately, the composites were found to have Zn₃P₂ nanowires interspersed with metal alloy nanoparticles. Such non-uniform composites exhibited very high electrical conductivities, but slightly lower Seebeck coefficients, relative to Zn₃P₂ nanowire pellets. These composites were found to show a very high zT of 0.23 at 770 K, orders of magnitude higher than either interface-engineered composites or Zn₃P₂ nanowire pellets. The results indicate that microstructural composition of semiconductor nanowire-metal nanoparticle composites plays a major role in determining their thermoelectric performance, and such composites exhibit enhanced thermoelectric performance.

Natural convection along a heated vertical plate immersed in a nonlinearly stratified medium: application to liquefied gas storage

NASA Astrophysics Data System (ADS)

Forestier, M.; Haldenwang, P.

We consider free convection driven by a heated vertical plate immersed in a nonlinearly stratified medium. The plate supplies a uniform horizontal heat flux to a fluid, the bulk of which has a stable stratification, characterized by a non-uniform vertical temperature gradient. This gradient is assumed to have a typical length scale of variation, denoted Z0, while 0, and the physical properties of the medium.We then apply the new theory to the natural convection affecting the vapour phase in a liquefied pure gas tank (e.g. the cryogenic storage of hydrogen). It is assumed that the cylindrical storage tank is subject to a constant uniform heat flux on its lateral and top walls. We are interested in the vapour motion above a residual layer of liquid in equilibrium with the vapour. High-precision axisymmetric numerical computations show that the flow remains steady for a large range of parameters, and that a bulk stratification characterized by a quadratic temperature profile is undoubtedly present. The application of the theory permits a comparison of the numerical and analytic results, showing that the theory satisfactorily predicts the primary dynamical and thermal properties of the storage tank.

The Interaction of Polycrystalline Copper Films with Dilute Aqueous Solutions of Cupric Chloride

DTIC Science & Technology

1989-10-01

to interconnect semiconductor devices and other computer components Electronic circuits are mass / produced to obtain poduct uniformity and lowestx...so one needs to determine what if any pH change is produced by this extraneous oxide film growth. Thus, in order to determine any interference which...diffusion type; bulk diffusion rates would lie between 10 - 1 3 and 6x10-12mol.h- 1cm-2 mixed grain -13 boundary and bulk diffusion would lie between 6x10

New non-linear photovoltaic effect in uniform bipolar semiconductor

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

Volovichev, I.

2014-11-21

A linear theory of the new non-linear photovoltaic effect in the closed circuit consisting of a non-uniformly illuminated uniform bipolar semiconductor with neutral impurities is developed. The non-uniform photo-excitation of impurities results in the position-dependant current carrier mobility that breaks the semiconductor homogeneity and induces the photo-electromotive force (emf). As both the electron (or hole) mobility gradient and the current carrier generation rate depend on the light intensity, the photo-emf and the short-circuit current prove to be non-linear functions of the incident light intensity at an arbitrarily low illumination. The influence of the sample size on the photovoltaic effect magnitudemore » is studied. Physical relations and distinctions between the considered effect and the Dember and bulk photovoltaic effects are also discussed.« less

Charge Equilibration Force Fields for Lipid Environments: Applications to Fully Hydrated DPPC Bilayers and DMPC-Embedded Gramicidin A

PubMed Central

Davis, Joseph E.; Patel, Sandeep

2009-01-01

Polarizable force fields for lipid and solvent environments are used for molecular dynamics simulations of a fully hydrated dipalmitoylphosphatidylcholine (DPPC) bilayer and gramicidin A (gA) dimer embedded in a dimyristoylphosphatidylcholine (DMPC) bilayer. The lipid bilayer is modelled using the CHARMM charge equilibration (CHEQ) polarizable force field for lipids and the TIP4P-FQ force field to represent solvent. For the DPPC bilayer system, results are compared to the same system simulated using the nonpolarizable CHARMM27r (C27r) force field and TIP3P water. Calculated atomic and electron density profiles, headgroup orientations as measured by the phosphorus-nitrogen vector orientation, and deuterium order parameters are found to be consistent with previous simulations and with experiment. The CHEQ model exhibits greater water penetration into the bilayer interior, as demonstrated by the potential of mean force calculated from the water density profile. This is a result of the variation of the water molecular dipole from 2.55 D in the bulk to 1.88 D in the interior. We discuss this finding in the context of previous studies (both simulation and experiment) that have investigated the extent of penetration of water into DPPC bilayers. We also discuss the effects of including explicit polarization on the water dipole moment variation as a function of distance from the bilayer. We show distributions of atomic charges over the course of the simulation, since the CHEQ model allows the charges to fluctuate. We have calculated the interfacial dipole potential, which the CHEQ model predicts to be 0.95 V compared to 0.86 V as predicted by the C27r model. We also discuss dielectric permittivity profiles and the differences arising between the two models. We obtain bulk values of 72.77 for the CHEQ model (TIP4P-FQ water) and 91.22 for C27r (TIP3P), and values approaching unity in the membrane interior. Finally, we present results of simulations of gA embedded in a DMPC bilayer using the CHEQ model and discuss structural properties. PMID:19526999

Influence of the magnetic field profile on ITER conductor testing

NASA Astrophysics Data System (ADS)

Nijhuis, A.; Ilyin, Y.; ten Kate, H. H. J.

2006-08-01

We performed simulations with the numerical CUDI-CICC code on a typical short ITER (International Thermonuclear Experimental Reactor) conductor test sample of dual leg configuration, as usually tested in the SULTAN test facility, and made a comparison with the new EFDA-Dipole test facility offering a larger applied DC field region. The new EFDA-Dipole test facility, designed for short sample testing of conductors for ITER, has a homogeneous high field region of 1.2 m, while in the SULTAN facility this region is three times shorter. The inevitable non-uniformity of the current distribution in the cable, introduced by the joints at both ends, has a degrading effect on voltage-current (VI) and voltage-temperature (VT) characteristics, particularly for these short samples. This can easily result in an underestimation or overestimation of the actual conductor performance. A longer applied DC high field region along a conductor suppresses the current non-uniformity by increasing the overall longitudinal cable electric field when reaching the current sharing mode. The numerical interpretation study presented here gives a quantitative analysis for a relevant practical case of a test of a short sample poloidal field coil insert (PFCI) conductor in SULTAN. The simulation includes the results of current distribution analysis from self-field measurements with Hall sensor arrays, current sharing measurements and inter-petal resistance measurements. The outcome of the simulations confirms that the current uniformity improves with a longer high field region but the 'measured' VI transition is barely affected, though the local peak voltages become somewhat suppressed. It appears that the location of the high field region and voltage taps has practically no influence on the VI curve as long as the transverse voltage components are adequately cancelled. In particular, for a thin conduit wall, the voltage taps should be connected to the conduit in the form of an (open) azimuthally soldered wire, averaging the transverse conduit surface potentials initiated in the joints.

Helicon waves in uniform plasmas. II. High m numbers

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

Stenzel, R. L.; Urrutia, J. M.

2015-09-15

Helicons are whistler modes with azimuthal wave numbers. They have been studied in solids and plasmas where boundaries play a role. The present work shows that very similar modes exist in unbounded gaseous plasmas. Instead of boundaries, the antenna properties determine the topology of the wave packets. The simplest antenna is a magnetic loop which excites m = 0 or m = 1 helicons depending on whether the dipole moment is aligned parallel or perpendicular to the ambient background magnetic field B{sub 0}. While these low order helicons have been described by J. M. Urrutia and R. L. Stenzel [“Helicon modes in uniform plasmas.more » I. Low m modes,” Phys. Plasmas 22, 092111 (2015)], the present work focuses on high order modes up to m = 8. These are excited by antenna arrays forming magnetic multipoles. Their wave magnetic field has been measured in space and time in a large and uniform laboratory plasma free of boundary effects. The observed wave topology exhibits m pairs of unique field line spirals which may have inspired the name “helicon” to this mode. All field lines converge into these nested spirals which propagate like corkscrews along B{sub 0}. The field lines near the axis of helicons are perpendicular to B{sub 0} and circularly polarized as in parallel whistlers. Helical antennas couple to these transverse fields but not to the spiral fields of helicons. Using a circular antenna array of phased m = 0 loops, right or left rotating or non-rotating multipole antenna fields are generated. They excite m < 0 and m > 0 modes, showing that the plasma supports both modes equally well. The poor excitation of m < 0 modes is a characteristic of loops with dipole moment across B{sub 0}. The radiation efficiency of multipole antennas has been found to decrease with m.« less

Energy-absorption spectroscopy of unitary Fermi gases in a uniform potential

NASA Astrophysics Data System (ADS)

Zhang, Pengfei; Yu, Zhenhua

2018-04-01

We propose to use the energy absorption spectroscopy to measure the kinetic coefficients of unitary Fermi gases in a uniform potential. We show that, in our scheme, the energy absorption spectrum is proportional to the dynamic structure factor of the system. The profile of the spectrum depends on the shear viscosity η , the thermal conductivity κ , and the superfluid bulk viscosity ξ3. We show that extraction of these coefficients from the spectrum is achievable in present experiments.

Point defects at the ice (0001) surface

PubMed Central

Watkins, Matthew; VandeVondele, Joost; Slater, Ben

2010-01-01

Using density functional theory we investigate whether intrinsic defects in ice surface segregate. We predict that hydronium, hydroxide, and the Bjerrum L- and D-defects are all more stable at the surface. However, the energetic cost to create a D-defect at the surface and migrate it into the bulk crystal is smaller than its bulk formation energy. Absolute and relative segregation energies are sensitive to the surface structure of ice, especially the spatial distribution of protons associated with dangling hydrogen bonds. It is found that the basal plane surface of hexagonal ice increases the bulk concentration of Bjerrum defects, strongly favoring D-defects over L-defects. Dangling protons associated with undercoordinated water molecules are preferentially injected into the crystal bulk as Bjerrum D-defects, leading to a surface dipole that attracts hydronium ions. Aside from the disparity in segregation energies for the Bjerrum defects, we find the interactions between defect species to be very finely balanced; surface segregation energies for hydronium and hydroxide species and trapping energies of these ionic species with Bjerrum defects are equal within the accuracy of our calculations. The mobility of the ionic hydronium and hydroxide species is greatly reduced at the surface in comparison to the bulk due to surface sites with high trapping affinities. We suggest that, in pure ice samples, the surface of ice will have an acidic character due to the presence of hydronium ions. This may be important in understanding the reactivity of ice particulates in the upper atmosphere and at the boundary layer. PMID:20615938

Energy of charged states in the acetanilide crystal: trapping of charge-transfer states at vacancies as a possible mechanism for optical damage.

PubMed

Tsiaousis, D; Munn, R W

2004-04-15

Calculations for the acetanilide crystal yield the effective polarizability (16.6 A(3)), local electric field tensor, effective dipole moment (5.41 D), and dipole-dipole energy (-12.8 kJ/mol). Fourier-transform techniques are used to calculate the polarization energy P for a single charge in the perfect crystal (-1.16 eV); the charge-dipole energy W(D) is zero if the crystal carries no bulk dipole moment. Polarization energies for charge-transfer (CT) pairs combine with the Coulomb energy E(C) to give the screened Coulomb energy E(scr); screening is nearly isotropic, with E(scr) approximately E(C)/2.7. For CT pairs W(D) reduces to a term deltaW(D) arising from the interaction of the charge on each ion with the change in dipole moment on the other ion relative to the neutral molecule. The dipole moments calculated by density-functional theory methods with the B3LYP functional at the 6-311++G(**) level are 3.62 D for the neutral molecule, changing to 7.13 D and 4.38 D for the anion and cation, relative to the center of mass. Because of the large change in the anion, deltaW(D) reaches -0.9 eV and modifies the sequence of CT energies markedly from that of E(scr), giving the lowest two CT pairs at -1.98 eV and -1.41 eV. The changes in P and W(D) near a vacancy are calculated; W(D) changes for the individual charges because the vacancy removes a dipole moment and modifies the crystal dielectric response, but deltaW(D) and E(C) do not change. A vacancy yields a positive change DeltaP that scatters a charge or CT pair, but the change DeltaW(D) can be negative and large enough to outweigh DeltaP, yielding traps with depths that can exceed 150 meV for single charges and for CT pairs. Divacancies yield traps with depths nearly equal to the sum of those produced by the separate vacancies and so they can exceed 300 meV. These results are consistent with a mechanism of optical damage in which vacancies trap optically generated CT pairs that recombine and release energy; this can disrupt the lattice around the vacancy, thereby favoring trapping and recombination of CT pairs generated by subsequent photon absorption, leading to further lattice disruption. Revisions to previous calculations on trapping of CT pairs in anthracene are reported. (c) 2004 American Institute of Physics.

MMS observations of magnetic reconnection signatures of dissipating ion inertial-scale flux ropes associated with dipolarization events

NASA Astrophysics Data System (ADS)

Poh, G.; Slavin, J. A.; Lu, S.; Le, G.; Cassak, P.; Eastwood, J. P.; Ozturk, D. S.; Zou, S.; Nakamura, R.; Baumjohann, W.; Russell, C. T.; Gershman, D. J.; Giles, B. L.; Pollock, C.; Moore, T. E.; Torbert, R. B.; Burch, J. L.

2017-12-01

The formation of flux ropes is thought to be an integral part of the process that may have important consequences for the onset and subsequent rate of reconnection in the tail. Earthward flows, i.e. bursty bulk flows (BBFs), generate dipolarization fronts (DFs) as they interact with the closed magnetic flux in their path. Global hybrid simulations and THEMIS observations have shown that earthward-moving flux ropes can undergo magnetic reconnection with the near-Earth dipole field in the downtail region between the Near Earth Neutral Line and the near-Earth dipole field to create DFs-like signatures. In this study, we analyzed sequential "chains" of earthward-moving, ion-scale flux ropes embedded within DFs observed during MMS first tail season. MMS high-resolution plasma measurements indicate that these earthward flux ropes embedded in DFs have a mean bulk flow velocity and diameter of 250 km/s and 1000 km ( 2‒3 ion inertial length λi), respectively. Magnetic reconnection signatures preceding the flux rope/DF encounter were also observed. As the southward-pointing magnetic field in the leading edge of the flux rope reconnects with the northward-pointing geomagnetic field, the characteristic quadrupolar Hall magnetic field in the ion diffusion region and electron outflow jets in the north-south direction are observed. Our results strongly suggest that the earthward moving flux ropes brake and gradually dissipate due to magnetic reconnection with the near Earth magnetic field. We have also examined the occurrence rate of these dissipating flux ropes/DF events as a function of downtail distances.

Finite element approximation of the fields of bulk and interfacial line defects

NASA Astrophysics Data System (ADS)

Zhang, Chiqun; Acharya, Amit; Puri, Saurabh

2018-05-01

A generalized disclination (g.disclination) theory (Acharya and Fressengeas, 2015) has been recently introduced that goes beyond treating standard translational and rotational Volterra defects in a continuously distributed defects approach; it is capable of treating the kinematics and dynamics of terminating lines of elastic strain and rotation discontinuities. In this work, a numerical method is developed to solve for the stress and distortion fields of g.disclination systems. Problems of small and finite deformation theory are considered. The fields of a single disclination, a single dislocation treated as a disclination dipole, a tilt grain boundary, a misfitting grain boundary with disconnections, a through twin boundary, a terminating twin boundary, a through grain boundary, a star disclination/penta-twin, a disclination loop (with twist and wedge segments), and a plate, a lenticular, and a needle inclusion are approximated. It is demonstrated that while the far-field topological identity of a dislocation of appropriate strength and a disclination-dipole plus a slip dislocation comprising a disconnection are the same, the latter microstructure is energetically favorable. This underscores the complementary importance of all of topology, geometry, and energetics in understanding defect mechanics. It is established that finite element approximations of fields of interfacial and bulk line defects can be achieved in a systematic and routine manner, thus contributing to the study of intricate defect microstructures in the scientific understanding and predictive design of materials. Our work also represents one systematic way of studying the interaction of (g.)disclinations and dislocations as topological defects, a subject of considerable subtlety and conceptual importance (Aharoni et al., 2017; Mermin, 1979).

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

Sahu, Pooja; Ali, Sk. M., E-mail: musharaf@barc.gov.in

Water in nanotube exhibits remarkably different properties from the bulk phase, which can be exploited in various nanoconfinement based technologies. The properties of water within nanotube can be further tuned by varying the nanotube electrostatics and functionalization of nanotube ends. Here, therefore, we investigate the effect of quantum partial charges and carbon nanotube (CNT) termination in terms of associated entropic forces. An attempt has been made to correlate the entropic forces with various dynamical and structural properties. The simulated structural features are consistent with general theoretical aspects, in which the interfacial water molecules at H terminated CNT are found tomore » be distributed in a different way as compared to other CNTs. The rotational entropy components for different cases of CNTs are well corroborated by the decay time of hydrogen bond (HB) correlation functions. A part of this event has been explained in terms of orientation of water molecules in the chain, i.e., the change in direction of dipole moment of water molecules in the chain and it has been revealed that the HBs of CNT confined water molecules show long preserving correlation if their rotations inside CNT are restricted. Furthermore, the translational entropy components are rationally integrated with the differing degree of translational constraints, added by the CNTs. To the best of our information, perhaps this is the first study where the thermodynamic effects introduced by H-termination and induced dipole of CNT have been investigated. Additionally, we present a bridge relation between “translational diffusivity and configurational entropy” for water transport from bulk phase to inside CNTs.« less

Lepton flavour violation in RS models with a brane- or nearly brane-localized Higgs

NASA Astrophysics Data System (ADS)

Beneke, M.; Moch, P.; Rohrwild, J.

2016-05-01

We perform a comprehensive study of charged lepton flavour violation in Randall-Sundrum (RS) models in a fully 5D quantum-field-theoretical framework. We consider the RS model with minimal field content and a ;custodially protected; extension as well as three implementations of the IR-brane localized Higgs field, including the non-decoupling effect of the KK excitations of a narrow bulk Higgs. Our calculation provides the first complete result for the flavour-violating electromagnetic dipole operator in Randall-Sundrum models. It contains three contributions with different dependence on the magnitude of the anarchic 5D Yukawa matrix, which can all be important in certain parameter regions. We study the typical range for the branching fractions of μ → eγ, μ → 3 e, μN → eN as well as τ → μγ, τ → 3 μ and the electron electric dipole moment by a numerical scan in both the minimal and the custodial RS model. The combination of μ → eγ and μN → eN currently provides the most stringent constraint on the parameter space of the model. A typical lower limit on the KK scale T is around 2 TeV in the minimal model (up to 4 TeV in the bulk Higgs case with large Yukawa couplings), and around 4 TeV in the custodially protected model, which corresponds to a mass of about 10 TeV for the first KK excitations, far beyond the lower limit from the non-observation of direct production at the LHC.

Toward Metal–Organic Framework-Based Solar Cells: Enhancing Directional Exciton Transport by Collapsing Three-Dimensional Film Structures

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

Goswami, Subhadip; Ma, Lin; Martinson, Alex B. F.

Owing to their ability to act as light-harvesting scaffolds, porphyrin-containing metal-organic frameworks (MOFs) are in the forefront of research on the application of highly ordered molecular materials to problems in solar-energy conversion. In this work, solvent-assisted linker exchange (SALE) is performed on a pillared paddlewheel porphyrin containing MOF thin film to collapse a 3D framework to a 2D framework. The change in dimensionality of the framework is confirmed by a decrease in the film thickness, the magnitude of which is in agreement with crystallographic parameters for related bulk materials. Furthermore, NMR spectroscopy performed on the digested sample suggests a similarmore » change in geometry is achieved in bulk MOF samples. The decreased distance between the porphyrin chromophores in the 2D MOF film compared to the 3D film results in enhanced energy transfer through the film. The extent of energy transport was probed by assembling MOF thin film where the outermost layers are palladium porphyrin (P2) units, which act as energy traps and fluorescence quenchers. Steady-state emission spectroscopy together with time-resolved emission spectroscopy indicates that excitons can travel through about 9-11 layers (porphyrin layers) in 2D films, whereas in 3D films energy transfer occurs through no more than about 6-8 layers. The results are difficult to understand if only changes in MOF interlayer spacing are considered but become much more understandable if dipole-dipole coupling distances are considered.« less

Movement of particles using sequentially activated dielectrophoretic particle trapping

DOEpatents

Miles, Robin R.

2004-02-03

Manipulation of DNA and cells/spores using dielectrophoretic (DEP) forces to perform sample preparation protocols for polymerized chain reaction (PCR) based assays for various applications. This is accomplished by movement of particles using sequentially activated dielectrophoretic particle trapping. DEP forces induce a dipole in particles, and these particles can be trapped in non-uniform fields. The particles can be trapped in the high field strength region of one set of electrodes. By switching off this field and switching on an adjacent electrodes, particles can be moved down a channel with little or no flow.

Three-dimensional analytic model of the magnetic field for the Chalk River Superconducting Cyclotron

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

Davies, W.G.; Lee-Whiting, G.E.; Douglas, S.R.

1994-07-01

A three-dimensional analytic model of the magnetic field for the TASCC cyclotron that satisfies Maxwell`s equations exactly has been constructed for use with the new differential-algebra orbit-dynamics code. The model includes: (1) the superconducting coils; (2) the saturated iron poles; (3) the partially saturated yoke; (4) the saturated-iron trim rods. Lines of dipole density along the edges of the hills account for the non-uniformities and edge effects and along with three yoke constants constitute the only free parameters.

Mechanical stress analysis during a quench in CLIQ protected 16 T dipole magnets designed for the future circular collider

NASA Astrophysics Data System (ADS)

Zhao, Junjie; Prioli, Marco; Stenvall, Antti; Salmi, Tiina; Gao, Yuanwen; Caiffi, Barbara; Lorin, Clement; Marinozzi, Vittorio; Farinon, Stefania; Sorbi, Massimo

2018-07-01

Protecting the magnets in case of a quench is a challenge for the 16 T superconducting dipole magnets presently designed for the 100 TeV: Future Circular Collider (FCC). These magnets are driven to the foreseen technological limits in terms of critical current, mechanical strength and quench protection. The magnets are protected with CLIQ (Coupling-Loss Induced Quench) system, which is a recently developed quench protection method based on discharging a capacitor bank across part of the winding. The oscillation of the magnet currents and the dissipation of the high stored energy into the windings cause electrodynamic forces and thermal stresses, which may need to be considered in the magnet mechanical design. This paper focuses on mechanical stress analysis during a quench of the 16 T cos-θ and block type dipole magnets. A finite element model allowed studying the stress due to the non-uniform temperature and current distribution in the superconducting coils. Two different CLIQ configurations were considered for the cos-θ design and one for the block type magnet. The analyses of the mechanical behavior of two magnets during a quench without or with hot spot turn were separately carried out. The simulation results show that the stress related to a quench should be considered when designing a high field magnet.

Magnetic Field Design for the LANL nEDM Experiment

NASA Astrophysics Data System (ADS)

Dadisman, Ryan

2017-09-01

A recent UCN source upgrade at LANSCE makes possible an order of magnitude advancement in the measurement of the neutron electric dipole moment by use of the familiar Ramsey method of separated oscillatory fields. A highly uniform B0 magnetic field is required to achieve sufficiently long spin-relaxation times and to suppress the false EDM caused by the geometric phase effect. We identified a multi-gap solenoid as an ideal candidate to simultaneously achieve the uniformity requirements, via optimization of the gap lengths between and current within different sections, and provide plentiful access to the fiducial region. Results from initial tests of the coil when installed in the magnetic shield house enclosing the experiment will be presented. This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Nuclear Physics, under Award Number DE-SC-0014622.

Incorporating Phase-Dependent Polarizability in Non-Additive Electrostatic Models for Molecular Dynamics Simulations of the Aqueous Liquid-Vapor Interface.

PubMed

Bauer, Brad A; Warren, G Lee; Patel, Sandeep

2009-02-10

We discuss a new classical water force field that explicitly accounts for differences in polarizability between liquid and vapor phases. The TIP4P-QDP (4-point transferable intermolecular potential with charge dependent-polarizability) force field is a modification of the original TIP4P-FQ fluctuating charge water force field of Rick et al.(1) that self-consistently adjusts its atomic hardness parameters via a scaling function dependent on the M-site charge. The electronegativity (χ) parameters are also scaled in order to reproduce condensed-phase dipole moments of comparable magnitude to TIP4P-FQ. TIP4P-QDP is parameterized to reproduce experimental gas-phase and select condensed-phase properties. The TIP4P-QDP water model possesses a gas phase polarizability of 1.40 Å(3) and gas-phase dipole moment of 1.85 Debye, in excellent agreement with experiment and high-level ab initio predictions. The liquid density of TIP4P-QDP is 0.9954(±0.0002) g/cm(3) at 298 K and 1 atmosphere, and the enthalpy of vaporization is 10.55(±0.12) kcal/mol. Other condensed-phase properties such as the isobaric heat capacity, isothermal compressibility, and diffusion constant are also calculated within reasonable accuracy of experiment and consistent with predictions of other current state-of-the-art water force fields. The average molecular dipole moment of TIP4P-QDP in the condensed phase is 2.641(±0.001) Debye, approximately 0.02 Debye higher than TIP4P-FQ and within the range of values currently surmised for the bulk liquid. The dielectric constant, ε = 85.8 ± 1.0, is 10% higher than experiment. This is reasoned to be due to the increase in the condensed phase dipole moment over TIP4P-FQ, which estimates ε remarkably well. Radial distribution functions for TIP4P-QDP and TIP4P-FQ show similar features, with TIP4P-QDP showing slightly reduced peak heights and subtle shifts towards larger distance interactions. Since the greatest effects of the phase-dependent polarizability are anticipated in regions with both liquid and vapor character, interfacial simulations of TIP4P-QDP were performed and compared to TIP4P-FQ, a static polarizability analog. Despite similar features in density profiles such as the position of the GDS and interfacial width, enhanced dipole moments are observed for the TIP4P-QDP interface and onset of the vapor phase. Water orientational profiles show an increased preference (over TIP4P-FQ) in the orientation of the permanent dipole vector of the molecule within the interface; an enhanced z-induced dipole moment directly results from this preference. Hydrogen bond formation is lower, on average, in the bulk for TIP4P-QDP than TIP4P-FQ. However, the average number of hydrogen bonds formed by TIP4P-QDP in the interface exceeds that of TIP4P-FQ, and observed hydrogen bond networks extend further into the gaseous region. The TIP4P-QDP interfacial potential, calculated to be -11.98(±0.08) kcal/mol, is less favorable than that for TIP4P-FQ by approximately 2% as a result of a diminished quadrupole contribution. Surface tension is calculated within a 1.3% reduction from the experimental value. Results reported demonstrate TIP4P-QDP as a model comparable to the popular TIP4P-FQ while accounting for a physical effect previously neglected by other water models. Further refinements to this model, as well as future applications are discussed.

Incorporating Phase-Dependent Polarizability in Non-Additive Electrostatic Models for Molecular Dynamics Simulations of the Aqueous Liquid-Vapor Interface

PubMed Central

Bauer, Brad A.; Warren, G. Lee; Patel, Sandeep

2012-01-01

We discuss a new classical water force field that explicitly accounts for differences in polarizability between liquid and vapor phases. The TIP4P-QDP (4-point transferable intermolecular potential with charge dependent-polarizability) force field is a modification of the original TIP4P-FQ fluctuating charge water force field of Rick et al.1 that self-consistently adjusts its atomic hardness parameters via a scaling function dependent on the M-site charge. The electronegativity (χ) parameters are also scaled in order to reproduce condensed-phase dipole moments of comparable magnitude to TIP4P-FQ. TIP4P-QDP is parameterized to reproduce experimental gas-phase and select condensed-phase properties. The TIP4P-QDP water model possesses a gas phase polarizability of 1.40 Å3 and gas-phase dipole moment of 1.85 Debye, in excellent agreement with experiment and high-level ab initio predictions. The liquid density of TIP4P-QDP is 0.9954(±0.0002) g/cm3 at 298 K and 1 atmosphere, and the enthalpy of vaporization is 10.55(±0.12) kcal/mol. Other condensed-phase properties such as the isobaric heat capacity, isothermal compressibility, and diffusion constant are also calculated within reasonable accuracy of experiment and consistent with predictions of other current state-of-the-art water force fields. The average molecular dipole moment of TIP4P-QDP in the condensed phase is 2.641(±0.001) Debye, approximately 0.02 Debye higher than TIP4P-FQ and within the range of values currently surmised for the bulk liquid. The dielectric constant, ε = 85.8 ± 1.0, is 10% higher than experiment. This is reasoned to be due to the increase in the condensed phase dipole moment over TIP4P-FQ, which estimates ε remarkably well. Radial distribution functions for TIP4P-QDP and TIP4P-FQ show similar features, with TIP4P-QDP showing slightly reduced peak heights and subtle shifts towards larger distance interactions. Since the greatest effects of the phase-dependent polarizability are anticipated in regions with both liquid and vapor character, interfacial simulations of TIP4P-QDP were performed and compared to TIP4P-FQ, a static polarizability analog. Despite similar features in density profiles such as the position of the GDS and interfacial width, enhanced dipole moments are observed for the TIP4P-QDP interface and onset of the vapor phase. Water orientational profiles show an increased preference (over TIP4P-FQ) in the orientation of the permanent dipole vector of the molecule within the interface; an enhanced z-induced dipole moment directly results from this preference. Hydrogen bond formation is lower, on average, in the bulk for TIP4P-QDP than TIP4P-FQ. However, the average number of hydrogen bonds formed by TIP4P-QDP in the interface exceeds that of TIP4P-FQ, and observed hydrogen bond networks extend further into the gaseous region. The TIP4P-QDP interfacial potential, calculated to be -11.98(±0.08) kcal/mol, is less favorable than that for TIP4P-FQ by approximately 2% as a result of a diminished quadrupole contribution. Surface tension is calculated within a 1.3% reduction from the experimental value. Results reported demonstrate TIP4P-QDP as a model comparable to the popular TIP4P-FQ while accounting for a physical effect previously neglected by other water models. Further refinements to this model, as well as future applications are discussed. PMID:23133341

Chirped circular dielectric gratings for near-unity collection efficiency from quantum emitters in bulk diamond

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

Zheng, Jiabao; Liapis, Andreas C.; Chen, Edward H.

Effcient collection of fluorescence from nitrogen vacancy (NV) centers in diamond underlies the spin-dependent optical read-out that is necessary for quantum information processing and enhanced sensing applications. The optical collection effciency from NVs within diamond substrates is limited primarily due to the high refractive index of diamond and the non-directional dipole emission. Here we introduce a light collection strategy based on chirped, circular dielectric gratings that can be fabricated on a bulk diamond substrate to redirect an emitter’s far-field radiation pattern. Using a genetic optimization algorithm, these grating designs achieve 98.9% collection effciency for the NV zero-phonon emission line, collectedmore » from the back surface of the diamond with an objective of aperture 0.9. Across the broadband emission spectrum of the NV (600-800 nm), the chirped grating achieves 82.2% collection e ciency into a numerical aperture of 1.42, corresponding to an oil immersion objective again on the back side of the diamond. Our proposed bulk-dielectric grating structures are applicable to other optically active solid state quantum emitters in high index host materials.« less

Chirped circular dielectric gratings for near-unity collection efficiency from quantum emitters in bulk diamond

DOE PAGES

Zheng, Jiabao; Liapis, Andreas C.; Chen, Edward H.; ...

2017-12-13

Effcient collection of fluorescence from nitrogen vacancy (NV) centers in diamond underlies the spin-dependent optical read-out that is necessary for quantum information processing and enhanced sensing applications. The optical collection effciency from NVs within diamond substrates is limited primarily due to the high refractive index of diamond and the non-directional dipole emission. Here we introduce a light collection strategy based on chirped, circular dielectric gratings that can be fabricated on a bulk diamond substrate to redirect an emitter’s far-field radiation pattern. Using a genetic optimization algorithm, these grating designs achieve 98.9% collection effciency for the NV zero-phonon emission line, collectedmore » from the back surface of the diamond with an objective of aperture 0.9. Across the broadband emission spectrum of the NV (600-800 nm), the chirped grating achieves 82.2% collection e ciency into a numerical aperture of 1.42, corresponding to an oil immersion objective again on the back side of the diamond. Our proposed bulk-dielectric grating structures are applicable to other optically active solid state quantum emitters in high index host materials.« less

Correlated Time-Variation of Asphalt Rheology and Bulk Microstructure

NASA Astrophysics Data System (ADS)

Ramm, Adam; Nazmus, Sakib; Bhasin, Amit; Downer, Michael

We use noncontact optical microscopy and optical scattering in the visible and near-infrared spectrum on Performance Grade (PG) asphalt binder to confirm the existence of microstructures in the bulk. The number of visible microstructures increases linearly as penetration depth of the incident radiation increases, which verifies a uniform volume distribution of microstructures. We use dark field optical scatter in the near-infrared to measure the temperature dependent behavior of the bulk microstructures and compare this behavior with Dynamic Shear Rheometer (DSR) measurements of the bulk complex shear modulus | G* (T) | . The main findings are: (1) After reaching thermal equilibrium, both temperature dependent optical scatter intensity (I (T)) and bulk shear modulus (| G* (T) |) continue to change appreciably for times much greater than thermal equilibration times. (2) The hysteresis behavior during a complete temperature cycle seen in previous work derives from a larger time dependence in the cooling step compared with the heating step. (3) Different binder aging conditions show different thermal time-variations for both I (T) and | G* (T) | .

Large enhancement of interface second-harmonic generation near the zero-n(-) gap of a negative-index Bragg grating.

PubMed

D'Aguanno, Giuseppe; Mattiucci, Nadia; Bloemer, Mark J; Scalora, Michael

2006-03-01

We predict a large enhancement of interface second-harmonic generation near the zero-n(-) gap of a Bragg grating made of alternating layers of negative- and positive-index materials. Field localization and coherent oscillations of the nonlinear dipoles located at the structure's interfaces conspire to yield conversion efficiencies at least an order of magnitude greater than those achievable in the same length of nonlinear, phase-matched bulk material. These findings thus point to a new class of second-harmonic-generation devices made of standard centrosymmetric materials.

Spin accumulation in thin Cs salts on contact with optically polarized Cs vapor

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

Ishikawa, Kiyoshi

2011-09-15

The spin angular momentum accumulates in the Cs nuclei of salt on contact with optically pumped Cs vapor. The spin polarization in stable chloride as well as dissociative hydride indicates that nuclear dipole interaction works in spin transferring with a lesser role of atom exchange. In the solid film, not only the spin buildup but also the decay of enhanced polarization is faster than the thermal recovery rate for the bulk salt. Eliminating the signal of thick salt, we find that the nuclear spin polarization in the chloride film reaches over 100 times the thermal equilibrium.

A new estimate of average dipole field strength for the last five million years

NASA Astrophysics Data System (ADS)

Cromwell, G.; Tauxe, L.; Halldorsson, S. A.

2013-12-01

The Earth's ancient magnetic field can be approximated by a geocentric axial dipole (GAD) where the average field intensity is twice as strong at the poles than at the equator. The present day geomagnetic field, and some global paleointensity datasets, support the GAD hypothesis with a virtual axial dipole moment (VADM) of about 80 ZAm2. Significant departures from GAD for 0-5 Ma are found in Antarctica and Iceland where paleointensity experiments on massive flows (Antarctica) (1) and volcanic glasses (Iceland) produce average VADM estimates of 41.4 ZAm2 and 59.5 ZAm2, respectively. These combined intensities are much closer to a lower estimate for long-term dipole field strength, 50 ZAm2 (2), and some other estimates of average VADM based on paleointensities strictly from volcanic glasses. Proposed explanations for the observed non-GAD behavior, from otherwise high-quality paleointensity results, include incomplete temporal sampling, effects from the tangent cylinder, and hemispheric asymmetry. Differences in estimates of average magnetic field strength likely arise from inconsistent selection protocols and experiment methodologies. We address these possible biases and estimate the average dipole field strength for the last five million years by compiling measurement level data of IZZI-modified paleointensity experiments from lava flows around the globe (including new results from Iceland and the HSDP-2 Hawaii drill core). We use the Thellier Gui paleointensity interpreter (3) in order to apply objective criteria to all specimens, ensuring consistency between sites. Specimen level selection criteria are determined from a recent paleointensity investigation of modern Hawaiian lava flows where the expected magnetic field strength was accurately recovered when following certain selection parameters. Our new estimate of average dipole field strength for the last five million years incorporates multiple paleointensity studies on lava flows with diverse global and temporal distributions, and objectively constrains site level estimates by applying uniform selection requirements on measurement level data. (1) Lawrence, K.P., L. Tauxe, H. Staudigel, C.G. Constable, A. Koppers, W. McIntosh, C.L. Johnson, Paleomagnetic field properties at high southern latitude, Geochemistry Geophysics Geosystems, 10, 2009. (2) Selkin, P.A., L. Tauxe, Long-term variations in palaeointensity, Phil. Trans. R. Soc. Lond., 358, 1065-1088, 2000. (3) Shaar, R., L. Tauxe, Thellier GUI: An integrated tool for analyzing paleointensity data from Thellier-type experiments, Geochemistry Geophysics Geosystems, 14, 2013

Influence of magnetic cohesion on the stability of granular slopes.

PubMed

Taylor, K; King, P J; Swift, Michael R

2008-09-01

We use a molecular dynamics model to simulate the formation and evolution of a granular pile in two dimensions in order to gain a better understanding of the role of magnetic interactions in avalanche dynamics. We find that the angle of repose increases only slowly with magnetic field; the increase in angle is small even for intergrain cohesive forces many times stronger than gravity. The magnetic forces within the bulk of the pile partially cancel as a result of the anisotropic nature of the dipole-dipole interaction between grains. However, we show that this cancellation effect is not sufficiently strong to explain the discrepancy between the angle of repose in wet systems and magnetically cohesive systems. In our simulations we observe shearing deep within the pile, and we argue that it is this motion that prevents the angle of repose from increasing dramatically. We also investigate different implementations of friction with the front and back walls of the container, and conclude that the nature of the friction dramatically affects the influence of magnetic cohesion on the angle of repose.

Thermodynamics of inversion-domain boundaries in aluminum nitride: Interplay between interface energy and electric dipole potential energy

NASA Astrophysics Data System (ADS)

Zhang, J. Y.; Xie, Y. P.; Guo, H. B.; Chen, Y. G.

2018-05-01

Aluminum nitride (AlN) has a polar crystal structure that is susceptible to electric dipolar interactions. The inversion domains in AlN, similar to those in GaN and other wurtzite-structure materials, decrease the energy associated with the electric dipolar interactions at the expense of inversion-domain boundaries, whose interface energy has not been quantified. We study the atomic structures of six different inversion-domain boundaries in AlN, and compare their interface energies from density functional theory calculations. The low-energy interfaces have atomic structures with similar bonding geometry as those in the bulk phase, while the high-energy interfaces contain N-N wrong bonds. We calculate the formation energy of an inversion domain using the interface energy and dipoles' electric-field energy, and find that the distribution of the inversion domains is an important parameter for the microstructures of AlN films. Using this thermodynamic model, it is possible to control the polarity and microstructure of AlN films by tuning the distribution of an inversion-domain nucleus and by selecting the low-energy synthesis methods.

Molecular dynamics study of the isotropic-nematic quench.

PubMed

Bradac, Z; Kralj, S; Zumer, S

2002-02-01

Effects of cylindrical and spherical confinement on the kinetics of the isotropic-nematic quench is studied numerically. The nematic liquid crystal structure was modeled by a modified induced-dipole--induced-dipole interaction. Molecules were allowed to wander around points of a hexagonal lattice. Brownian molecular dynamics was used in order to access macroscopic time scales. In the bulk we distinguish between the early, domain, and late stage regime. The early regime is characterized by the exponential growth of the nematic uniaxial order parameter. In the domain regime domains are clearly visible and the average nematic domain size xi(d) obeys the dynamical scaling law xi(d)-t(gamma). The late stage evolution is dominated by dynamics of individual defects. In a confined system the qualitative change of the scaling behavior appears when xi(d) becomes comparable to a typical linear dimension R of the confinement. In the confining regime (xi(d)>or=R) the scaling coefficient gamma depends on the details of the confinement and also the final equilibrium nematic structure. The domain growth is well described with the Kibble-Zurek mechanism.

High-performance spinel-rich Li1.5MnTiO4+δ ultralong nanofibers as cathode materials for Li-ion batteries

NASA Astrophysics Data System (ADS)

Hung Vu, Ngoc; Arunkumar, Paulraj; Bin Im, Won

2017-03-01

Recently, composite materials based on Li-Mn-Ti-O system were developed to target low cost and environmentally benign cathodes for Li-ion batteries. The spinel-layered Li1.5MnTiO4+δ bulk particles showed excellent cycle stability but poor rate performance. To address this drawback, ultralong nanofibers of a Li1.5MnTiO4+δ spinel-layered heterostructure were synthesized by electrospinning. Uniform nanofibers with diameters of about 80 nm were formed of tiny octahedral particles wrapped together into 30 μm long fibers. The Li1.5MnTiO4+δ nanofibers exhibited an improved rate capability compared to both Li1.5MnTiO4+δ nanoparticles and bulk particles. The uniform one-dimensional nanostructure of the composite cathode exhibited enhanced capacities of 235 and 170 mAh g-1 at C/5 and 1 C rates, respectively. Its unique structure provided a large effective contact area for Li+ diffusion, and low charge transfer resistance. Moreover, the layered phase contributed to its capacity in over 3 V region, which increased specific energy (726 Wh kg-1) compared to the bulk particles (534 Wh kg-1).

Increasing strength and conductivity of Cu alloy through abnormal plastic deformation of an intermetallic compound

PubMed Central

Han, Seung Zeon; Lim, Sung Hwan; Kim, Sangshik; Lee, Jehyun; Goto, Masahiro; Kim, Hyung Giun; Han, Byungchan; Kim, Kwang Ho

2016-01-01

The precipitation strengthening of Cu alloys inevitably accompanies lowering of their electric conductivity and ductility. We produced bulk Cu alloys arrayed with nanofibers of stiff intermetallic compound through a precipitation mechanism using conventional casting and heat treatment processes. We then successfully elongated these arrays of nanofibers in the bulk Cu alloys to 400% of original length without breakage at room temperature using conventional rolling process. By inducing such an one-directional array of nanofibers of intermetallic compound from the uniform distribution of fine precipitates in the bulk Cu alloys, the trade-off between strength and conductivity and between strength and ductility could be significantly reduced. We observed a simultaneous increase in electrical conductivity by 1.3 times and also tensile strength by 1.3 times in this Cu alloy bulk compared to the conventional Cu alloys. PMID:27488621

Effect of CNT as a Nucleating Agent on Cell Morphology and Thermal Insulation Property of the Rigid Polyurethane Foams.

PubMed

Ahn, WonSool; Lee, Joon-Man

2015-11-01

The effects of MWCNT on the cell sizes, cell uniformities, thermal conductivities, bulk densities, foaming kinetics, and compressive mechanical properties of the rigid PUFs were investigated. To obtain the better uniform dispersed state of MWCNT, grease-type master batch of MWCNT/surfactant was prepared by three-roll mill. Average cell size of the PUF samples decreased from 185.1 for the neat PUF to 162.9 μm for the sample of 0.01 phr of MWCNT concentration. Cell uniformity was also enhanced showing the standard cell-size deviation of 61.7 and 35.2, respectively. While the thermal conductivity of the neat PUF was 0.0222 W/m(o)K, that of the sample with 0.01 phr of MWCNT showed 0.0204 W/m(o)K, resulting 8.2% reduction of the thermal conductivity. Bulk density of the PUF samples was observed as nearly the same values as 30.0 ± 1.0 g/cm3 regardless of MWCNT. Temperature profiles during foaming process showed that an indirect indication of the nucleation effect of MWCNT for the PUF foaming system, showing faster and higher temperature rising with time. The compressive yield stress is nearly the same as 0.030 x 10(5) Pa regardless of MWCNT.

Quantum computing with acceptor spins in silicon.

PubMed

Salfi, Joe; Tong, Mengyang; Rogge, Sven; Culcer, Dimitrie

2016-06-17

The states of a boron acceptor near a Si/SiO2 interface, which bind two low-energy Kramers pairs, have exceptional properties for encoding quantum information and, with the aid of strain, both heavy hole and light hole-based spin qubits can be designed. Whereas a light-hole spin qubit was introduced recently (arXiv:1508.04259), here we present analytical and numerical results proving that a heavy-hole spin qubit can be reliably initialised, rotated and entangled by electrical means alone. This is due to strong Rashba-like spin-orbit interaction terms enabled by the interface inversion asymmetry. Single qubit rotations rely on electric-dipole spin resonance (EDSR), which is strongly enhanced by interface-induced spin-orbit terms. Entanglement can be accomplished by Coulomb exchange, coupling to a resonator, or spin-orbit induced dipole-dipole interactions. By analysing the qubit sensitivity to charge noise, we demonstrate that interface-induced spin-orbit terms are responsible for sweet spots in the dephasing time [Formula: see text] as a function of the top gate electric field, which are close to maxima in the EDSR strength, where the EDSR gate has high fidelity. We show that both qubits can be described using the same starting Hamiltonian, and by comparing their properties we show that the complex interplay of bulk and interface-induced spin-orbit terms allows a high degree of electrical control and makes acceptors potential candidates for scalable quantum computation in Si.

Real-Time Dispatch of Petroleum Tank Trucks.

DTIC Science & Technology

1979-12-01

dispatches for each bulk terminal from which loads are hauled. The dispatchers, located at a central national order processing facility, must each...of an order processor and new capa- bilities to, for instance, trace orders. Also, uniform control of thef order processing function is desirable, if

Theoretical analysis of optical properties of dielectric coatings dependence on substrate subsurface defects

NASA Astrophysics Data System (ADS)

Shen, Jian; Liu, Shouhua; Shen, Zicai; Shao, Jianda; Fan, Zhengxiu

2006-03-01

A model for refractive index of stratified dielectric substrate was put forward according to theories of inhomogeneous coatings. The substrate was divided into surface layer, subsurface layer and bulk layer along the normal direction of its surface. Both the surface layer (separated into N1 sublayers of uniform thickness) and subsurface layer (separated into N2 sublayers of uniform thickness), whose refractive indices have different statistical distributions, are equivalent to inhomogeneous coatings, respectively. And theoretical deduction was carried out by employing characteristic matrix method of optical coatings. An example of mathematical calculation for optical properties of dielectric coatings had been presented. The computing results indicate that substrate subsurface defects can bring about additional bulk scattering and change propagation characteristic in thin film and substrate. Therefore, reflectance, reflective phase shift and phase difference of an assembly of coatings and substrate deviate from ideal conditions. The model will provide some beneficial theory directions for improving optical properties of dielectric coatings via substrate surface modification.

Understanding the influence of tellurium oxide in front Ag paste for contacting silicon solar cells with homogeneous high sheet resistance emitter

NASA Astrophysics Data System (ADS)

Ebong, Abasifreke; Bezawada, Nirupama; Batchu, Kartheek

2017-08-01

This paper investigates TeO2, one of the front Ag paste additives, to understand its role in low contact and gridline resistances for screen-printed Si solar cell. It is concluded that TeO2 aids the reduction of molten glass frit viscosity during contact co-firing. This in turn, leads to uniform flow of molten glass frit, both in the gridline bulk and interface of gridline and SiN x . Therefore, the uniform wetting and etching of SiN x and consequently larger contact area of metal to Si compared to its counterpart without TeO2. Hence, the current transport mechanism from Si to gridline can be said to be both direct and tunneling. The Raman spectra showed a blue shift in the phase of the TeO2 after contact co-firing in the gridline bulk confirming a crystalline γ-TeO2.

Heat Transfer to Longitudinal Laminar Flow Between Cylinders

NASA Technical Reports Server (NTRS)

Sparrow, Ephraim M.; Loeffler, Albert L. Jr.; Hubbard, H. A.

1960-01-01

Consideration is given to the fully developed heat transfer characteristics for longitudinal laminar flow between cylinders arranged in an equilateral triangular array. The analysis is carried out for the condition of uniform heat transfer per unit length. Solutions are obtained for the temperature distribution, and from these, Nusselt numbers are derived for a wide range of spacing-to-diameter ratios. It is found that as the spacing ratio increases, so also does the wall-to-bulk temperature difference for a fixed heat transfer per unit length. Corresponding to a uniform surface temperature around the circumference of a cylinder, the circumferential variation of the local heat flux is computed. For spacing ratios of 1.5 - 2.0 and greater, uniform peripheral wall temperature and uniform peripheral heat flux are simultaneously achieved. A simplified analysis which neglects circumferential variations is also carried out, and the results are compared with those from the more exact formulation.

Probing the Influence of Disorder on Lanthanide Luminescence Using Eu-Doped LaPO4 Nanoparticles

PubMed Central

2017-01-01

Lanthanide-doped nanocrystals (NCs) differ from their bulk counterparts due to their large surface to volume ratio. It is generally assumed that the optical properties are not affected by size effects as electronic transitions occur within the well-shielded 4f shell of the lanthanide dopant ions. However, defects and disorder in the surface layer can affect the luminescence properties. Trivalent europium is a suitable ion to investigate the subtle influence of the surface, because of its characteristic luminescence and high sensitivity to the local environment. Here, we investigate the influence of disorder in NCs on the optical properties of lanthanide dopants by studying the inhomogeneous linewidth, emission intensity ratios, and luminescence decay curves for LaPO4:Eu3+ samples of different sizes (4 nm to bulk) and core–shell configurations (core, core–isocrystalline shell, and core–silica shell). We show that the emission linewidths increase strongly for NCs. The ratio of the intensities of the forced electric dipole (ED) and magnetic dipole (MD) transitions, a measure for the local symmetry distortion around Eu3+ ions, is higher for samples with a large fraction of Eu3+ ions close to the surface. Finally, we present luminescence decay curves revealing an increased nonradiative decay rate for Eu3+ in NCs. The effects are strongest in core and core–silica shell NCs and can be reduced by growth of an isocrystalline LaPO4 shell. The present systematic study provides quantitative insight into the role of surface disorder on the optical properties of lanthanide-doped NCs. These insights are important in emerging applications of lanthanide-doped nanocrystals. PMID:28919934

Size effect in Quincke rotation: a numerical study.

PubMed

Peters, F; Lobry, L; Khayari, A; Lemaire, E

2009-05-21

This paper deals with the Quincke rotation of small insulating particles. This dc electrorotation of insulating objects immersed in a slightly conducting liquid is usually explained by looking at the action of the free charges present in the liquid. Under the effect of the dc electric field, the charges accumulate at the surface of the insulating particle which, in turn, acquires a dipole moment in the direction opposite to that of the field and begins to rotate in order to flip its dipole moment. In the classical Quincke model, the charge distribution around the rotor is supposed to be purely superficial. A consequence of this assumption is that the angular velocity does not depend on the rotor size. Nevertheless, this hypothesis holds only if the rotor size is much larger than the characteristic ion layer thickness around the particle. In the opposite case, we show thanks to numerical calculations that the bulk charge distribution has to be accounted for to predict the electromechanical behavior of the rotor. We consider the case of an infinite insulating cylinder whose axis is perpendicular to the dc electric field. We use the finite element method to solve the conservation equations for the positive and the negative ions coupled with Navier-Stokes and Poisson equations. Doing so, we compute the bulk charge distribution and the velocity field in the liquid surrounding the cylinder. For sufficiently small cylinders, we show that the smaller the cylinder is, the smaller its angular velocity is when submitted to a dc electric field. This size effect is shown to originate both in ion diffusion and electromigration in the charge layer. At last, we propose a simple analytical model which allows calculating the angular velocity of the rotor when electromigration is present but weak and diffusion can be neglected.

Size effect in Quincke rotation: A numerical study

NASA Astrophysics Data System (ADS)

Peters, F.; Lobry, L.; Khayari, A.; Lemaire, E.

2009-05-01

This paper deals with the Quincke rotation of small insulating particles. This dc electrorotation of insulating objects immersed in a slightly conducting liquid is usually explained by looking at the action of the free charges present in the liquid. Under the effect of the dc electric field, the charges accumulate at the surface of the insulating particle which, in turn, acquires a dipole moment in the direction opposite to that of the field and begins to rotate in order to flip its dipole moment. In the classical Quincke model, the charge distribution around the rotor is supposed to be purely superficial. A consequence of this assumption is that the angular velocity does not depend on the rotor size. Nevertheless, this hypothesis holds only if the rotor size is much larger than the characteristic ion layer thickness around the particle. In the opposite case, we show thanks to numerical calculations that the bulk charge distribution has to be accounted for to predict the electromechanical behavior of the rotor. We consider the case of an infinite insulating cylinder whose axis is perpendicular to the dc electric field. We use the finite element method to solve the conservation equations for the positive and the negative ions coupled with Navier-Stokes and Poisson equations. Doing so, we compute the bulk charge distribution and the velocity field in the liquid surrounding the cylinder. For sufficiently small cylinders, we show that the smaller the cylinder is, the smaller its angular velocity is when submitted to a dc electric field. This size effect is shown to originate both in ion diffusion and electromigration in the charge layer. At last, we propose a simple analytical model which allows calculating the angular velocity of the rotor when electromigration is present but weak and diffusion can be neglected.

Assessment of the amide-I local modes in gamma- and beta-turns of peptides.

PubMed

Wang, Jianping

2009-07-14

The amide-I local modes, mainly the C[double bond, length as m-dash]O stretching vibrations, form the structural basis of femtosecond 2D IR spectroscopy in characterizing backbone structures and dynamics of peptides and proteins. In this work, a density functional theory (DFT) level of computational assessment of the amide-I local modes in oligomers mostly in the turn conformations was carried out. It is shown that local mode properties, including transition frequencies and transition dipole magnitudes and orientations, are slightly conformational dependent. However, the distributions of these properties in the peptide oligomers are narrow and have mean values almost identical to those from an isolated peptide monomer, justifying the prevalent use of a uniform local mode in modeling the 1D and 2D IR spectra. In addition, it is shown that the transition dipole magnitude and orientation of the peptide monomer predicted by the DFT calculations can be well approximated by electrostatic potential-based transition charge schemes, e.g. Merz-Singh-Kollman, CHELP, as well as CHELPG.

Plasmon resonances on opto-capacitive nanostructures

NASA Astrophysics Data System (ADS)

Shahcheraghi, N.; Dowd, A.; Arnold, M. D.; Cortie, M. B.

2015-12-01

Silver is considered as one of the most desirable materials for plasmonic devices due to it having low loss, low epsilon2, across the visible spectrum. In addition, silver nanotriangles can self-assemble into complex structures that can include tip-totip or base-to-base arrangements. While the optical properties of tip-to-tip dimers of nanotriangles have been quite intensively studied, the geometric inverse, the base-to-base configuration, has received much less attention. Here we report the results of a computational study of the optical response of this latter configuration. Calculations were performed using the discrete dipole approximation. The effect of gap size and substrate are considered. The results indicate that the base-to-base configuration can sustain a strong coupled dipole and various multimode resonances. The pairing of the parallel triangle edges produces a strongly capacitive configuration and very intense electric fields over an extended volume of space. Therefore, the base-to-base configuration could be suitable for a range of plasmonic applications that require a strong and uniform concentration of electric field. Examples include refractometeric sensing or metal-enhanced fluorescence.

Predicting the effect of relaxation during frequency-selective adiabatic pulses

NASA Astrophysics Data System (ADS)

Pfaff, Annalise R.; McKee, Cailyn E.; Woelk, Klaus

2017-11-01

Adiabatic half and full passages are invaluable for achieving uniform, B1-insensitive excitation or inversion of macroscopic magnetization across a well-defined range of NMR frequencies. To accomplish narrow frequency ranges with adiabatic pulses (<100 Hz), long pulse durations at low RF power levels are necessary, and relaxation during these pulses may no longer be negligible. A numerical, discrete recursive combination of the Bloch equations for longitudinal and transverse relaxation with the optimized equation for adiabatic angular motion of magnetization is used to calculate the trajectory of magnetization including its relaxation during adiabatic hyperbolic secant pulses. The agreement of computer-calculated data with experimental results demonstrates that, in non-viscous, small-molecule fluids, it is possible to model magnetization and relaxation by considering standard T1 and T2 relaxation in the traditional rotating frame. The proposed model is aimed at performance optimizations of applications in which these pulses are employed. It differs from previous reports which focused on short high-power adiabatic pulses and relaxation that is governed by dipole-dipole interactions, cross polarization, or chemical exchange.

Synthesis and luminescence properties of Eu3+-doped KLa(MoO4)2 red-emitting phosphor

NASA Astrophysics Data System (ADS)

Zuo, Haoqiang; Liu, Yun; Li, Jinyang; Shi, Xiaolei; Gao, Weiping

2015-09-01

Eu3+-doped KLa(MoO4)2 phosphors were synthesized by a simple hydrothermal method. X-ray diffraction (XRD) analysis demonstrated that the as-prepared products were pure monoclinic phase of KLa(MoO4)2. Field emission scanning electron microscopy (FE-SEM) images indicated that the morphology of the prepared phosphors evolved from uniform spherical-like to irregular elliposid-like with increase of the concentration. The photoluminescence (PL) spectra displayed that the phosphors show strong red light around 618 nm, attributed to 5D0 → 7F2 transition of Eu3+ ion under 465 nm excitation, and the optimal Eu3+ doping concentration was about 15 mol.% based on the concentration dependent emission spectra. According to Dexter's theory the electric dipole-dipole interaction (D-D) is the main mechanism for energy transfer between Eu3+ and Eu3+ ions. The CIE chromaticity (x, y) of the phosphors were about (0.65, 0.35) and it is close to the standard red chromaticity of NTSC. Therefore, the phosphors could be used as red phosphors for white light-emitting diodes.

Plasmon assisted control of photo-induced excitation energy transfer in a molecular chain

NASA Astrophysics Data System (ADS)

Wang, Luxia; May, Volkhard

2017-08-01

The strong and ultrafast laser pulse excitation of a molecular chain in close vicinity to a spherical metal nano-particle (MNP) is studied theoretically. Due to local-field enhancement around the MNP, pronounced excited-state formation has to be expected for the part of the chain which is in proximity to the MNP. Here, the description of this phenomenon will be based on a uniform quantum theory of the MNP-molecule system. It accounts for local-field effects due to direct consideration of the strong excitation energy transfer coupling between the MNP and the various molecules. The molecule-MNP distances are chosen in such a way as to achieve a correct description of the MNP via dipole-plasmon excitations. Short plasmon life-times are incorporated in the framework of a density matrix approach. By extending earlier work the present description allows for multi-exciton formation and multiple dipole-plasmon excitation. The region of less intense and not-too-short optical excitation is identified as being best suited for excitation energy localization in the chain.

Selecting Magnet Laminations Recipes Using the Meth-od of Sim-u-la-ted Annealing

NASA Astrophysics Data System (ADS)

Russell, A. D.; Baiod, R.; Brown, B. C.; Harding, D. J.; Martin, P. S.

1997-05-01

The Fermilab Main Injector project is building 344 dipoles using more than 7000 tons of steel. Budget and logistical constraints required that steel production, lamination stamping and magnet fabrication proceed in parallel. There were significant run-to-run variations in the magnetic properties of the steel (Martin, P.S., et al., Variations in the Steel Properties and the Excitation Characteristics of FMI Dipoles, this conference). The large lamination size (>0.5 m coil opening) resulted in variations of gap height due to differences in stress relief in the steel after stamping. To minimize magnet-to-magnet strength and field shape variations the laminations were shuffled based on the available magnetic and mechanical data and assigned to magnets using a computer program based on the method of simulated annealing. The lamination sets selected by the program have produced magnets which easily satisfy the design requirements. Variations of the average magnet gap are an order of magnitude smaller than the variations in lamination gaps. This paper discusses observed gap variations, the program structure and the strength uniformity results.

Fringe Field Effects on Bending Magnets, Derived for TRANSPORT/TURTLE

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

Molloy, Riley; Blitz, Sam

2013-08-05

A realistic magnetic dipole has complex effects on a charged particle near the entrance and exit of the magnet, even with a constant and uniform magnetic field deep within the interior of the magnet. To satisfy Maxwell's equations, the field lines near either end of a realistic magnet are significantly more complicated, yielding non-trivial forces. The effects of this fringe field are calculated to first order, applying both the paraxial and thin lens approximations. We find that, in addition to zeroth order effects, the position of a particle directly impacts the forces in the horizontal and vertical directions.

Prediction of non-cavitation propeller noise in time domain

NASA Astrophysics Data System (ADS)

Ye, Jin-Ming; Xiong, Ying; Xiao, Chang-Run; Bi, Yi

2011-09-01

The blade frequency noise of non-cavitation propeller in a uniform flow is analyzed in time domain. The unsteady loading (dipole source) on the blade surface is calculated by a potential-based surface panel method. Then the time-dependent pressure data is used as the input for Ffowcs Williams-Hawkings formulation to predict the acoustics pressure. The integration of noise source is performed over the true blade surface rather than the nothickness blade surface, and the effect of hub can be considered. The noise characteristics of the non-cavitation propeller and the numerical discretization forms are discussed.

Pore Diameter Dependence and Segmental Dynamics of Poly-Z-L-lysine and Poly-L-alanine Confined in 1D Nanocylindrical Geometry

NASA Astrophysics Data System (ADS)

Tuncel, Eylul; Suzuki, Yasuhito; Iossifidis, Agathaggelos; Steinhart, Martin; Butt, Hans-Jurgen; Floudas, George; Duran, Hatice

Structure formation, thermodynamic stability, phase and dynamic behaviors of polypeptides are strongly affected by confinement. Since understanding the changes in these behaviors will allow their rational design as functional devices with tunable properties, herein we investigated Poly-Z-L-lysine (PZLL) and Poly-L-alanine (PAla) homopolypeptides confined in nanoporous alumina containing aligned cylindrical nanopores as a function of pore size by differential scanning calorimetry (DSC), Fourier Transform Infrared Spectroscopy, Solid-state NMR, X-ray diffraction, Dielectric spectroscopy(DS). Bulk PZLL exhibits a glass transition temperature (Tg) at about 301K while PZLL nanorods showed slightly lower Tg (294K). The dynamic investigation by DS also revealed a decrease (4K) in Tg between bulk and PZLL nanorods. DS is a very sensitive probe of the local and global secondary structure relaxation through the large dipole to study effect of confinement. The results revealed that the local segmental dynamics, associated with broken hydrogen bonds, and segmental dynamics speed-up on confinement.

Measurement of effective bulk and contact resistance of gas diffusion layer under inhomogeneous compression - Part I: Electrical conductivity

NASA Astrophysics Data System (ADS)

Vikram, Ajit; Chowdhury, Prabudhya Roy; Phillips, Ryan K.; Hoorfar, Mina

2016-07-01

This paper describes a measurement technique developed for the determination of the effective electrical bulk resistance of the gas diffusion layer (GDL) and the contact resistance distribution at the interface of the GDL and the bipolar plate (BPP). The novelty of this study is the measurement and separation of the bulk and contact resistance under inhomogeneous compression, occurring in an actual fuel cell assembly due to the presence of the channels and ribs on the bipolar plates. The measurement of the electrical contact resistance, contributing to nearly two-third of the ohmic losses in the fuel cell assembly, shows a non-linear distribution along the GDL/BPP interface. The effective bulk resistance of the GDL under inhomogeneous compression showed a decrease of nearly 40% compared to that estimated for homogeneous compression at different compression pressures. Such a decrease in the effective bulk resistance under inhomogeneous compression could be due to the non-uniform distribution of pressure under the ribs and the channels. This measurement technique can be used to identify optimum GDL, BPP and channel-rib structures based on minimum bulk and contact resistances measured under inhomogeneous compression.

Visualizing weakly bound surface Fermi arcs and their correspondence to bulk Weyl fermions

PubMed Central

Batabyal, Rajib; Morali, Noam; Avraham, Nurit; Sun, Yan; Schmidt, Marcus; Felser, Claudia; Stern, Ady; Yan, Binghai; Beidenkopf, Haim

2016-01-01

Fermi arcs are the surface manifestation of the topological nature of Weyl semimetals, enforced by the bulk-boundary correspondence with the bulk Weyl nodes. The surface of tantalum arsenide, similar to that of other members of the Weyl semimetal class, hosts nontopological bands that obscure the exploration of this correspondence. We use the spatial structure of the Fermi arc wave function, probed by scanning tunneling microscopy, as a spectroscopic tool to distinguish and characterize the surface Fermi arc bands. We find that, as opposed to nontopological states, the Fermi arc wave function is weakly affected by the surface potential: it spreads rather uniformly within the unit cell and penetrates deeper into the bulk. Fermi arcs reside predominantly on tantalum sites, from which the topological bulk bands are derived. Furthermore, we identify a correspondence between the Fermi arc dispersion and the energy and momentum of the bulk Weyl nodes that classify this material as topological. We obtain these results by introducing an analysis based on the role the Bloch wave function has in shaping quantum electronic interference patterns. It thus carries broader applicability to the study of other electronic systems and other physical processes. PMID:27551687

Remote interfacial dipole scattering and electron mobility degradation in Ge field-effect transistors with GeO x /Al2O3 gate dielectrics

NASA Astrophysics Data System (ADS)

Wang, Xiaolei; Xiang, Jinjuan; Wang, Shengkai; Wang, Wenwu; Zhao, Chao; Ye, Tianchun; Xiong, Yuhua; Zhang, Jing

2016-06-01

Remote Coulomb scattering (RCS) on electron mobility degradation is investigated experimentally in Ge-based metal-oxide-semiconductor field-effect-transistors (MOSFETs) with GeO x /Al2O3 gate stacks. It is found that the mobility increases with greater GeO x thickness (7.8-20.8 Å). The physical origin of this mobility dependence on GeO x thickness is explored. The following factors are excluded: Coulomb scattering due to interfacial traps at GeO x /Ge, phonon scattering, and surface roughness scattering. Therefore, the RCS from charges in gate stacks is studied. The charge distributions in GeO x /Al2O3 gate stacks are evaluated experimentally. The bulk charges in Al2O3 and GeO x are found to be negligible. The density of the interfacial charge is  +3.2  ×  1012 cm-2 at the GeO x /Ge interface and  -2.3  ×  1012 cm-2 at the Al2O3/GeO x interface. The electric dipole at the Al2O3/GeO x interface is found to be  +0.15 V, which corresponds to an areal charge density of 1.9  ×  1013 cm-2. The origin of this mobility dependence on GeO x thickness is attributed to the RCS due to the electric dipole at the Al2O3/GeO x interface. This remote dipole scattering is found to play a significant role in mobility degradation. The discovery of this new scattering mechanism indicates that the engineering of the Al2O3/GeO x interface is key for mobility enhancement and device performance improvement. These results are helpful for understanding and engineering Ge mobility enhancement.

Surface Electrostatic Potential and Water Orientation in the presence of Sodium Octanoate Dilute Monolayers Studied by Means of Molecular Dynamics Simulations.

PubMed

Bernardino, Kalil; de Moura, André F

2015-10-13

A series of atomistic molecular dynamics simulations were performed in the present investigation to assess the spontaneous formation of surfactant monolayers of sodium octanoate at the water-vacuum interface. The surfactant surface coverage increased until a saturation threshold was achieved, after which any further surfactant addition led to the formation of micellar aggregates within the solution. The saturated films were not densely packed, as might be expected for short-chained surfactants, and all films regardless of the surface coverage presented surfactant molecules with the same ordering pattern, namely, with the ionic heads toward the aqueous solution and the tails lying nearly parallel to the interface. The major contributions to the electrostatic surface potential came from the charged heads and the counterion distribution, which nearly canceled out each other. The balance between the oppositely charged ions rendered the electrostatic contributions from water meaningful, amounting to ca. 10% of the contributions arising from the ionic species. And even the aliphatic tails, whose atoms bear relatively small partial atomic charges as compared to the polar molecules and molecular fragments, contributed with ca. 20% of the total electrostatic surface potential of the systems under investigation. Although the aliphatic tails were not so orderly arranged as in a compact film, the C-H bonds assumed a preferential orientation, leading to an increased contribution to the electrostatic properties of the interface. The most prominent feature arising from the partitioning of the electrostatic potential into individual contributions was the long-range ordering of the water molecules. This ordering of the water molecules produced a repulsive dipole-dipole interaction between the two interfaces, which increased with the surface coverage. Only for a water layer wider than 10 nm was true bulk behavior observed, and the repulsive dipole-dipole interaction faded away.

49 CFR 178.1055 - Stacking test.

Code of Federal Regulations, 2014 CFR

2014-10-01

... and no loss of contents during the test or after removal of the test load. ... to a uniformly distributed superimposed test load that is four times the design type maximum gross weight for a period of at least twenty-four hours. (2) For all Flexible Bulk Containers, the load must be...

49 CFR 178.1055 - Stacking test.

Code of Federal Regulations, 2013 CFR

2013-10-01

... and no loss of contents during the test or after removal of the test load. ... to a uniformly distributed superimposed test load that is four times the design type maximum gross weight for a period of at least twenty-four hours. (2) For all Flexible Bulk Containers, the load must be...

46 CFR 148.205 - Ammonium nitrate and ammonium nitrate fertilizers.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 46 Shipping 5 2011-10-01 2011-10-01 false Ammonium nitrate and ammonium nitrate fertilizers. 148... Materials § 148.205 Ammonium nitrate and ammonium nitrate fertilizers. (a) This section applies to the stowage and transportation in bulk of ammonium nitrate and the following fertilizers composed of uniform...

Temperature stratification and insect pest populations in stored wheat with suction versus pressure aeration

USDA-ARS?s Scientific Manuscript database

A three-year study was conducted to compare temperature profiles in the headspace and in the bulk mass of wheat aerated through pressure aeration and suction aeration. Insect pitfall traps were used to measure naturally-occurring populations of stored product insects. Results show uniform distributi...

46 CFR 148.205 - Ammonium nitrate and ammonium nitrate fertilizers.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 46 Shipping 5 2014-10-01 2014-10-01 false Ammonium nitrate and ammonium nitrate fertilizers. 148... Materials § 148.205 Ammonium nitrate and ammonium nitrate fertilizers. (a) This section applies to the stowage and transportation in bulk of ammonium nitrate and the following fertilizers composed of uniform...

46 CFR 148.205 - Ammonium nitrate and ammonium nitrate fertilizers.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 46 Shipping 5 2012-10-01 2012-10-01 false Ammonium nitrate and ammonium nitrate fertilizers. 148... Materials § 148.205 Ammonium nitrate and ammonium nitrate fertilizers. (a) This section applies to the stowage and transportation in bulk of ammonium nitrate and the following fertilizers composed of uniform...

46 CFR 148.205 - Ammonium nitrate and ammonium nitrate fertilizers.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 46 Shipping 5 2013-10-01 2013-10-01 false Ammonium nitrate and ammonium nitrate fertilizers. 148... Materials § 148.205 Ammonium nitrate and ammonium nitrate fertilizers. (a) This section applies to the stowage and transportation in bulk of ammonium nitrate and the following fertilizers composed of uniform...

Dielectrophoresis device and method having insulating ridges for manipulating particles

DOEpatents

Cummings, Eric B [Livermore, CA; Fiechtner, Gregory J [Livermore, CA

2008-03-25

Embodiments of the present invention provide methods and devices for manipulating particles using dielectrophoresis. Insulating ridges and valleys are used to generate a spatially non-uniform electrical field. Particles may be concentrated, separated, or captured during bulk fluid flow in a channel having insulating ridges and valleys.

Chain Stretching and Order-Disorder Transitions in Block Copolymer Monolayers and Multilayers

NASA Astrophysics Data System (ADS)

Kramer, Edward J.; Mishra, Vindhya; Stein, Gila E.; Sohn, Karen E.; Hur, Sumi; Fredrickson, Glenn H.; Cochran, Eric W.

2009-03-01

Both monolayers of block copolymer cylinders and spheres undergo order to disorder transitions (ODT) at temperatures well below those of the bulk. Monolayers of PS-b-P2VP cylinders undergo a ``nematic'' to ``isotropic'' transition at temperatures about 20 K below the bulk ODT while monolayers of PS-b-P2VP with P2VP spheres undergo a 2D crystal to hexatic transition at least 10 K below the bulk ODT. Bilayers of each structure disorder at temperatures well above that of the monolayers. While one is tempted to attribute all of the difference to the fact that ordered monolayers are quasi 2 dimensional while bilayers are not, an alternative explanation exists. In the cylinder monolayer the corona PS chains must stretch to fill a nearly square cross-section domain rather than a hexagonal one in the bulk, while the corona PS chains in a sphere monolayer must stretch to fill a hexagonal prism rather than an octahedron in the bulk. The more non-uniform stretching of the chains in the monolayer should increase its free energy and decrease its order-disorder temperature.

Determination of the band parameters of bulk 2H-MX2 (M = Mo, W; X = S, Se) by angle-resolved photoemission spectroscopy

PubMed Central

Kim, Beom Seo; Rhim, Jun-Won; Kim, Beomyoung; Kim, Changyoung; Park, Seung Ryong

2016-01-01

Monolayer MX2 (M = Mo, W; X = S, Se) has recently been drawn much attention due to their application possibility as well as the novel valley physics. On the other hand, it is also important to understand the electronic structures of bulk MX2 for material applications since it is very challenging to grow large size uniform and sustainable monolayer MX2. We performed angle-resolved photoemission spectroscopy and tight binding calculations to investigate the electronic structures of bulk 2H-MX2. We could extract all the important electronic band parameters for bulk 2H-MX2, including the band gap, direct band gap size at K (-K) point and spin splitting size. Upon comparing the parameters for bulk 2H-MX2 (our work) with mono- and multi-layer MX2 (published), we found that stacked layers, substrates for thin films, and carrier concentration significantly affect the parameters, especially the band gap size. The origin of such effect is discussed in terms of the screening effect. PMID:27805019

Microscopic theory of exchange and dipole-exchange spin waves in magnetic thin films

NASA Astrophysics Data System (ADS)

Pereira, Joao Milton, Jr.

The aim of this work is to develop a microscopic theory of bulk and surface spin wave modes (or magnons) in thin films of some specific ordered magnetic materials, particularly antiferromagnets. Both exchange and magnetic dipole-dipole interactions are taken into account, depending on the material and the wavevector regime. First we study the dispersion relations of spin waves for situations in which the dominant interaction is the short-range exchange coupling between the magnetic sites. We begin by investigating ferromagnetic films with a cubic body centered (b.c.c.) crystal structure a surfaces corresponding to (111) crystal planes. The spin wave frequencies are calculated by a method that generalizes previous techniques used for simpler systems, which allows us to find analytical solutions. The results are then compared with recent experimental data for Ni films grown epitaxially on a W substrate. Then we investigate spin waves in antiferromagnetic systems. Calculations are made for the dispersion relations of exchange-dominated spin waves in antiferromagnetic thin films with simple cubic (s.c.) crystal structures, for three different surface orientations, namely (001), (101) and (111). The results are obtained by using a method similar to the one developed for the ferromagnetic film in the previous chapter. We calculate the effect of finite film thickness in coupling the spin wave modes localized near the two surfaces, leading to a splitting of several of the mode branches that occur in the semi-infinite limit. Another aspect that we consider is the influence, for the (101) orientation, of the direction of propagation on the spin wave frequencies, as well as the effect of non-equivalent sublattices in the (111) case. Next, we investigate the spin waves in antiferromagnetic films made of materials in which the long-range dipole-dipole interaction between the magnetic sites is included, along with the exchange coupling. In this case, we employ a Hamiltonian formalism that uses a transformation of the spin operators to creation and annihilation operators. Initially, we calculate the linear dipole-exchange spin wave spectrum, by considering only the bilinear terms in the transformed Hamiltonian. The theory is applied to antiferromagnetic films with s.c. and b.c.c. structures. The higher-order terms are later included by means of a diagrammatic perturbation technique, which allows us to obtain expressions for the damping and energy shift of the spin wave modes in b.c.c. antiferromagnetic films. Numerical results are then shown for ultrathin films of the antiferromagnet MnF2.

Solvation effect on isomer stability and electronic structures of protonated serotonin

NASA Astrophysics Data System (ADS)

Omidyan, Reza; Amanollahi, Zohreh; Azimi, Gholamhassan

2017-07-01

Microsolvation effect on geometry and transition energies of protonated serotonin has been investigated by MP2 and CC2 quantum chemical methods. Also, conductor-like screening model, implemented recently in the MP2 and ADC(2) methods, was examined to address the bulk water environment's effect on the isomer stability and electronic transition energies of protonated serotonin. It has been predicted that the dipole moment of gas phase isomers plays the main role on the isomer stabilization in water solution and electronic transition shifts. Also, both red- and blue-shift effects have been predicted to take place on electronic transition energies, upon hydration.

Fabrication of ultrathin and highly uniform silicon on insulator by numerically controlled plasma chemical vaporization machining.

PubMed

Sano, Yasuhisa; Yamamura, Kazuya; Mimura, Hidekazu; Yamauchi, Kazuto; Mori, Yuzo

2007-08-01

Metal-oxide semiconductor field-effect transistors fabricated on a silicon-on-insulator (SOI) wafer operate faster and at a lower power than those fabricated on a bulk silicon wafer. Scaling down, which improves their performances, demands thinner SOI wafers. In this article, improvement on the thinning of SOI wafers by numerically controlled plasma chemical vaporization machining (PCVM) is described. PCVM is a gas-phase chemical etching method in which reactive species generated in atmospheric-pressure plasma are used. Some factors affecting uniformity are investigated and methods for improvements are presented. As a result of thinning a commercial 8 in. SOI wafer, the initial SOI layer thickness of 97.5+/-4.7 nm was successfully thinned and made uniform at 7.5+/-1.5 nm.

Evaluation of specimen preparation techniques for micro-PIXE localisation of elements in hyperaccumulating plants

NASA Astrophysics Data System (ADS)

Kachenko, Anthony G.; Siegele, Rainer; Bhatia, Naveen P.; Singh, Balwant; Ionescu, Mihail

2008-04-01

Hybanthus floribundus subsp. floribundus, a rare Australian Ni-hyperaccumulating shrub and Pityrogramma calomelanos var. austroamericana, an Australian naturalized As-hyperaccumulating fern are promising species for use in phytoremediation of contaminated sites. Micro-proton-induced X-ray emission (μ-PIXE) spectroscopy was used to map the elemental distribution of the accumulated metal(loid)s, Ca and K in leaf or pinnule tissues of the two plant species. Samples were prepared by two contrasting specimen preparation techniques: freeze-substitution in tetrahydrofuran (THF) and freeze-drying. The specimens were analysed to compare the suitability of each technique in preserving (i) the spatial elemental distribution and (ii) the tissue structure of the specimens. Further, the μ-PIXE results were compared with concentration of elements in the bulk tissue obtained by ICP-AES analysis. In H. floribundus subsp. floribundus, μ-PIXE analysis revealed Ni, Ca and K concentrations in freeze-dried leaf tissues were at par with bulk tissue concentrations. Elemental distribution maps illustrated that Ni was preferentially localised in the adaxial epidermal tissues (1% DW) and least concentration was found in spongy mesophyll tissues (0.53% DW). Conversely, elemental distribution maps of THF freeze-substituted tissues indicated significantly lower Ni, Ca and K concentrations than freeze-dried specimens and bulk tissue concentrations. Moreover, Ni concentrations were uniform across the whole specimen and no localisation was observed. In P. calomelanos var. austroamericana freeze-dried pinnule tissues, μ-PIXE revealed statistically similar As, Ca and K concentrations as compared to bulk tissue concentrations. Elemental distribution maps showed that As localisation was relatively uniform across the whole specimen. Once again, THF freeze-substituted tissues revealed a significant loss of As compared to freeze-dried specimens and the concentrations obtained by bulk tissue analysis. The results demonstrate that freeze-drying is a suitable sample preparation technique to study elemental distribution of ions in H. floribundus and P. calomelanos plant tissues using μ-PIXE spectroscopy. Furthermore, cellular structure was preserved in samples prepared using this technique.

Cosmic bulk flow and the local motion from Cosmicflows-2

NASA Astrophysics Data System (ADS)

Hoffman, Yehuda; Courtois, Hélène M.; Tully, R. Brent

2015-06-01

Full sky surveys of peculiar velocity are arguably the best way to map the large-scale structure (LSS) out to distances of a few × 100 h-1 Mpc. Using the largest and most accurate ever catalogue of galaxy peculiar velocities Cosmicflows-2, the LSS has been reconstructed by means of the Wiener filter (WF) and constrained realizations (CRs) assuming as a Bayesian prior model the Λ cold dark matter model with the WMAP inferred cosmological parameters. This paper focuses on studying the bulk flow of the local flow field, defined as the mean velocity of top-hat spheres with radii ranging out to R = 500 h-1 Mpc. The estimated LSS, in general, and the bulk flow, in particular, are determined by the tension between the observational data and the assumed prior model. A pre-requisite for such an analysis is the requirement that the estimated bulk flow is consistent with the prior model. Such a consistency is found here. At R = 50 (150) h-1 Mpc, the estimated bulk velocity is 250 ± 21 (239 ± 38) km s-1. The corresponding cosmic variance at these radii is 126 (60) km s-1, which implies that these estimated bulk flows are dominated by the data and not by the assumed prior model. The estimated bulk velocity is dominated by the data out to R ≈ 200 h-1 Mpc, where the cosmic variance on the individual supergalactic Cartesian components (of the rms values) exceeds the variance of the CRs by at least a factor of 2. The SGX and SGY components of the cosmic microwave background dipole velocity are recovered by the WF velocity field down to a very few km s-1. The SGZ component of the estimated velocity, the one that is most affected by the zone of avoidance, is off by 126 km s-1 (an almost 2σ discrepancy). The bulk velocity analysis reported here is virtually unaffected by the Malmquist bias and very similar results are obtained for the data with and without the bias correction.

TBIEM3D: A Computer Program for Predicting Ducted Fan Engine Noise. Version 1.1

NASA Technical Reports Server (NTRS)

Dunn, M. H.

1997-01-01

This document describes the usage of the ducted fan noise prediction program TBIEM3D (Thin duct - Boundary Integral Equation Method - 3 Dimensional). A scattering approach is adopted in which the acoustic pressure field is split into known incident and unknown scattered parts. The scattering of fan-generated noise by a finite length circular cylinder in a uniform flow field is considered. The fan noise is modeled by a collection of spinning point thrust dipoles. The program, based on a Boundary Integral Equation Method (BIEM), calculates circumferential modal coefficients of the acoustic pressure at user-specified field locations. The duct interior can be of the hard wall type or lined. The duct liner is axisymmetric, locally reactive, and can be uniform or axially segmented. TBIEM3D is written in the FORTRAN programming language. Input to TBIEM3D is minimal and consists of geometric and kinematic parameters. Discretization and numerical parameters are determined automatically by the code. Several examples are presented to demonstrate TBIEM3D capabilities.

The Muon g - 2 experiment at Fermilab

NASA Astrophysics Data System (ADS)

Mott, James; Muon g - 2 experiment

2017-06-01

The Muon g - 2 experiment at Fermilab will measure the anomalous magnetic moment of the muon to a precision of 140 ppb, reducing the experimental uncertainty by a factor of 4 compared to the previous measurement at BNL (E821). The measurement technique adopts the storage ring concept used for E821, with magic-momentum muons stored in a highly uniform 1.45 T magnetic dipole field. The spin precession frequency is extracted from an analysis of the modulation of the rate of higher-energy positrons from muon decays, detected by 24 calorimeters and 3 straw tracking detectors. Compared to the E821 experiment, muon beam preparation, storage ring internal hardware, field measuring equipment, and detector and electronics systems are all new or significantly upgraded. Herein, I report on the status of the experiment as of Sept. 2016, presenting the magnetic field uniformity results after the completion of the first round of shimming and outlining the construction progress of the main detector systems.

The Muon g $-$ 2 experiment at Fermilab

DOE PAGES

Mott, James

2017-06-21

Here, the Muon g-2 experiment at Fermilab will measure the anomalous magnetic moment of the muon to a precision of 140 ppb, reducing the experimental uncertainty by a factor of 4 compared to the previous measurement at BNL (E821). The measurement technique adopts the storage ring concept used for E821, with magic-momentum muons stored in a highly uniform 1.45 T magnetic dipole field. The spin precession frequency is extracted from an analysis of the modulation of the rate of higher-energy positrons from muon decays, detected by 24 calorimeters and 3 straw tracking detectors. Compared to the E821 experiment, muon beammore » preparation, storage ring internal hardware, field measuring equipment, and detector and electronics systems are all new or significantly upgraded. Herein, I report on the status of the experiment as of Sept. 2016, presenting the magnetic field uniformity results after the completion of the first round of shimming and outlining the construction progress of the main detector systems.« less

The Muon g $-$ 2 experiment at Fermilab

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

Mott, James

Here, the Muon g-2 experiment at Fermilab will measure the anomalous magnetic moment of the muon to a precision of 140 ppb, reducing the experimental uncertainty by a factor of 4 compared to the previous measurement at BNL (E821). The measurement technique adopts the storage ring concept used for E821, with magic-momentum muons stored in a highly uniform 1.45 T magnetic dipole field. The spin precession frequency is extracted from an analysis of the modulation of the rate of higher-energy positrons from muon decays, detected by 24 calorimeters and 3 straw tracking detectors. Compared to the E821 experiment, muon beammore » preparation, storage ring internal hardware, field measuring equipment, and detector and electronics systems are all new or significantly upgraded. Herein, I report on the status of the experiment as of Sept. 2016, presenting the magnetic field uniformity results after the completion of the first round of shimming and outlining the construction progress of the main detector systems.« less

Concentration Dependent Dimensionality of Resonance Energy Transfer in a Postsynthetically Doped Morphologically Homologous Analogue of UiO-67 MOF with a Ruthenium(II) Polypyridyl Complex

DOE PAGES

Maza, William A.; Padilla, Roberto; Morris, Amanda J.

2015-06-04

In this study, a method is described here by which to dope ruthenium(II) bis(2,2'-bipyridine) (2,2'-bipyridyl-5,5'-dicarboxylic acid), RuDCBPY, into a UiO-67 metal–organic framework (MOF) derivative in which 2,2'-bipyridyl-5,5'-dicarboxylic acid, UiO-67-DCBPY, is used in place of 4,4'-biphenyldicarboxylic acid. Emission lifetime measurements of the RuDCBPY triplet metal-to-ligand charge transfer, 3MLCT, excited state as a function of RuDCBPY doping concentration in UiO-67-DCBPY are discussed in light of previous results for RuDCBPY-UiO-67 doped powders in which quenching of the 3MLCT was said to be due to dipole–dipole homogeneous resonance energy transfer, RET. The bulk distribution of RuDCBPY centers within MOF crystallites are also estimated withmore » the use of confocal fluorescence microscopy. In the present case, it is assumed that the rate of RET between RuDCBPY centers has an r –6 separation distance dependence characteristic of Förster RET. The results suggest (1) the dimensionality in which RET occurs is dependent on the RuDCBPY concentration ranging from one-dimensional at very low concentrations up to three-dimensional at high concentration, (2) the occupancy of RuDCBPY within UiO-67-DCBPY is not uniform throughout the crystallites such that RuDCBPY densely populates the outer layers of the MOF at low concentrations, and (3) the average separation distance between RuDCBPY centers is ~21 Å.« less

Mechanism of travelling-wave transport of particles

NASA Astrophysics Data System (ADS)

Kawamoto, Hiroyuki; Seki, Kyogo; Kuromiya, Naoyuki

2006-03-01

Numerical and experimental investigations have been carried out on transport of particles in an electrostatic travelling field. A three-dimensional hard-sphere model of the distinct element method was developed to simulate the dynamics of particles. Forces applied to particles in the model were the Coulomb force, the dielectrophoresis force on polarized dipole particles in a non-uniform field, the image force, gravity and the air drag. Friction and repulsion between particle-particle and particle-conveyer were included in the model to replace initial conditions after mechanical contacts. Two kinds of experiments were performed to confirm the model. One was the measurement of charge of particles that is indispensable to determine the Coulomb force. Charge distribution was measured from the locus of free-fallen particles in a parallel electrostatic field. The averaged charge of the bulk particle was confirmed by measurement with a Faraday cage. The other experiment was measurements of the differential dynamics of particles on a conveyer consisting of parallel electrodes to which a four-phase travelling electrostatic wave was applied. Calculated results agreed with measurements, and the following characteristics were clarified. (1) The Coulomb force is the predominant force to drive particles compared with the other kinds of forces, (2) the direction of particle transport did not always coincide with that of the travelling wave but changed partially. It depended on the frequency of the travelling wave, the particle diameter and the electric field, (3) although some particles overtook the travelling wave at a very low frequency, the motion of particles was almost synchronized with the wave at the low frequency and (4) the transport of some particles was delayed to the wave at medium frequency; the majority of particles were transported backwards at high frequency and particles were not transported but only vibrated at very high frequency.

Thermal Management Techniques for Oil-Free Turbomachinery Systems

NASA Technical Reports Server (NTRS)

Radil, Kevin; DellaCorte, Chris; Zeszotek, Michelle

2006-01-01

Tests were performed to evaluate three different methods of utilizing air to provide thermal management control for compliant journal foil air bearings. The effectiveness of the methods was based on bearing bulk temperature and axial thermal gradient reductions during air delivery. The first method utilized direct impingement of air on the inner surface of a hollow test journal during operation. The second, less indirect method achieved heat removal by blowing air inside the test journal to simulate air flowing axially through a hollow, rotating shaft. The third method emulated the most common approach to removing heat by forcing air axially through the bearing s support structure. Internal bearing temperatures were measured with three, type K thermocouples embedded in the bearing that measured general internal temperatures and axial thermal gradients. Testing was performed in a 1 atm, 260 C ambient environment with the bearing operating at 60 krpm and supporting a load of 222 N. Air volumetric flows of 0.06, 0.11, and 0.17 cubic meters per minute at approximately 150 to 200 C were used. The tests indicate that all three methods provide thermal management but at different levels of effectiveness. Axial cooling of the bearing support structure had a greater effect on bulk temperature for each air flow and demonstrated that the thermal gradients could be influenced by the directionality of the air flow. Direct air impingement on the journal's inside surface provided uniform reductions in both bulk temperature and thermal gradients. Similar to the direct method, indirect journal cooling had a uniform cooling effect on both bulk temperatures and thermal gradients but was the least effective of the three methods.

The barrier for proton transport in aquaporins as a challenge for electrostatic models: the role of protein relaxation in mutational calculations.

PubMed

Kato, Mitsunori; Pisliakov, Andrei V; Warshel, Arieh

2006-09-01

The origin of the barrier for proton transport through the aquaporin channel is a problem of general interest. It is becoming increasingly clear that this barrier is not attributable to the orientation of the water molecules across the channel but rather to the electrostatic penalty for moving the proton charge to the center of the channel. However, the reason for the high electrostatic barrier is still rather controversial. It has been argued by some workers that the barrier is due to the so-called NPA motif and/or to the helix macrodipole or to other specific elements. However, our works indicated that the main reason for the high barrier is the loss of the generalized solvation upon moving the proton charge from the bulk to the center of the channel and that this does not reflect a specific repulsive electrostatic interaction but the absence of sufficient electrostatic stabilization. At this stage it seems that the elucidation and clarification of the origin of the electrostatic barrier can serve as an instructive test case for electrostatic models. Thus, we reexamine the free-energy surface for proton transport in aquaporins using the microscopic free-energy perturbation/umbrella sampling (FEP/US) and the empirical valence bond/umbrella sampling (EVB/US) methods as well as the semimacroscopic protein dipole Langevin dipole model in its linear response approximation version (the PDLD/S-LRA). These extensive studies help to clarify the nature of the barrier and to establish the "reduced solvation effect" as the primary source of this barrier. That is, it is found that the barrier is associated with the loss of the generalized solvation energy (which includes of course all electrostatic effects) upon moving the proton charge from the bulk solvent to the center of the channel. It is also demonstrated that the residues in the NPA region and the helix dipole cannot be considered as the main reasons for the electrostatic barrier. Furthermore, our microscopic and semimacroscopic studies clarify the problems with incomplete alternative calculations, illustrating that the effects of various electrostatic elements are drastically overestimated by macroscopic calculations that use a low dielectric constant and do not consider the protein reorganization. Similarly, it is pointed out that microscopic potential of mean force calculations that do not evaluate the electrostatic barrier relative to the bulk water cannot be used to establish the origin of the electrostatic barrier. The relationship between the present study and calculations of pK(a)s in protein interiors is clarified, pointing out that approaches that are applied to study the aquaporin barrier should be validated by pK(a)s calculations. Such calculations also help to clarify the crucial role of solvation energies in establishing the barrier in aquaporins. (c) 2006 Wiley-Liss, Inc.

Theoretical interpretation of the limiting electric conductivity in ionic solution

NASA Astrophysics Data System (ADS)

Fraenkel, Dan

2017-12-01

The physical essence of the limiting equivalent ionic conductivity in solution, λ0i, has been a continuing challenge over almost a century. Here I briefly present an ab initio theoretical treatment providing (1) a new insight into the nature of λ0i, and (2) a mathematical formula for computing λ0i. In the new treatment, one assumes that any chosen ion i is surrounded by a spherical body of oriented solvent dipoles carrying the charge of the counterion, and the bulk solvent is a continuum with no molecular detail. λ0i is thus the result of the tandem operation, at hydrodynamic equilibrium, of the dipole body's electrophoretic and relaxation forces exerted on the drifting ion. λ0i is found to be proportional to the radius of ion i, and independent of the ionic charge. From experimental λ0i's, the ion radius can be computed as 'electric radius.' An electric ion-radius scale so derived compares well with other ion-size scales. The current theory expresses λ0i using only universal constants and unitary factors of the ionic solution, and it sheds new light on the fundamental nature of ion and charge transport in a polar liquid medium.

A time-correlation function approach to nuclear dynamical effects in X-ray spectroscopy

NASA Astrophysics Data System (ADS)

Karsten, Sven; Bokarev, Sergey I.; Aziz, Saadullah G.; Ivanov, Sergei D.; Kühn, Oliver

2017-06-01

Modern X-ray spectroscopy has proven itself as a robust tool for probing the electronic structure of atoms in complex environments. Despite working on energy scales that are much larger than those corresponding to nuclear motions, taking nuclear dynamics and the associated nuclear correlations into account may be of importance for X-ray spectroscopy. Recently, we have developed an efficient protocol to account for nuclear dynamics in X-ray absorption and resonant inelastic X-ray scattering spectra [Karsten et al., J. Phys. Chem. Lett. 8, 992 (2017)], based on ground state molecular dynamics accompanied with state-of-the-art calculations of electronic excitation energies and transition dipoles. Here, we present an alternative derivation of the formalism and elaborate on the developed simulation protocol using gas phase and bulk water as examples. The specific spectroscopic features stemming from the nuclear motions are analyzed and traced down to the dynamics of electronic energy gaps and transition dipole correlation functions. The observed tendencies are explained on the basis of a simple harmonic model, and the involved approximations are discussed. The method represents a step forward over the conventional approaches that treat the system in full complexity and provides a reasonable starting point for further improvements.

A time-correlation function approach to nuclear dynamical effects in X-ray spectroscopy.

PubMed

Karsten, Sven; Bokarev, Sergey I; Aziz, Saadullah G; Ivanov, Sergei D; Kühn, Oliver

2017-06-14

Modern X-ray spectroscopy has proven itself as a robust tool for probing the electronic structure of atoms in complex environments. Despite working on energy scales that are much larger than those corresponding to nuclear motions, taking nuclear dynamics and the associated nuclear correlations into account may be of importance for X-ray spectroscopy. Recently, we have developed an efficient protocol to account for nuclear dynamics in X-ray absorption and resonant inelastic X-ray scattering spectra [Karsten et al., J. Phys. Chem. Lett. 8, 992 (2017)], based on ground state molecular dynamics accompanied with state-of-the-art calculations of electronic excitation energies and transition dipoles. Here, we present an alternative derivation of the formalism and elaborate on the developed simulation protocol using gas phase and bulk water as examples. The specific spectroscopic features stemming from the nuclear motions are analyzed and traced down to the dynamics of electronic energy gaps and transition dipole correlation functions. The observed tendencies are explained on the basis of a simple harmonic model, and the involved approximations are discussed. The method represents a step forward over the conventional approaches that treat the system in full complexity and provides a reasonable starting point for further improvements.

Photoluminescence spectroscopy of YVO4:Eu3+ nanoparticles with aromatic linker molecules: A precursor to biomedical functionalization

NASA Astrophysics Data System (ADS)

Senty, T. R.; Yalamanchi, M.; Zhang, Y.; Cushing, S. K.; Seehra, M. S.; Shi, X.; Bristow, A. D.

2014-04-01

Photoluminescence spectra of YVO4:Eu3+ nanoparticles are presented, with and without the attachment of organic molecules that are proposed for linking to biomolecules. YVO4:Eu3+ nanoparticles with 5% dopant concentration were synthesized via wet chemical synthesis. X-ray diffraction and transmission electron microscopy show the expected wakefieldite structure of tetragonal particles with an average size of 17 nm. Fourier-transform infrared spectroscopy determines that metal-carboxylate coordination is successful in replacing native metal-hydroxyl bonds with three organic linkers, namely, benzoic acid, 3-nitro 4-chloro-benzoic acid, and 3,4-dihydroxybenzoic acid, in separate treatments. UV-excitation photoluminescence spectra show that the position and intensity of the dominant 5D0 - 7F2 electric-dipole transition at 619 nm are unaffected by the benzoic acid and 3-nitro 4-chloro-benzoic acid treatments. Attachment of 3,4-dihydroxybenzoic acid produces an order-of-magnitude quenching in the photoluminescence, due to the presence of high-frequency vibrational modes in the linker. Ratios of the dominant electric- and magnetic-dipole transitions confirm infrared measurements, which indicate that the bulk crystal of the nanoparticle is unchanged by all three treatments.

A new approach for modeling composite materials

NASA Astrophysics Data System (ADS)

Alcaraz de la Osa, R.; Moreno, F.; Saiz, J. M.

2013-03-01

The increasing use of composite materials is due to their ability to tailor materials for special purposes, with applications evolving day by day. This is why predicting the properties of these systems from their constituents, or phases, has become so important. However, assigning macroscopical optical properties for these materials from the bulk properties of their constituents is not a straightforward task. In this research, we present a spectral analysis of three-dimensional random composite typical nanostructures using an Extension of the Discrete Dipole Approximation (E-DDA code), comparing different approaches and emphasizing the influences of optical properties of constituents and their concentration. In particular, we hypothesize a new approach that preserves the individual nature of the constituents introducing at the same time a variation in the optical properties of each discrete element that is driven by the surrounding medium. The results obtained with this new approach compare more favorably with the experiment than previous ones. We have also applied it to a non-conventional material composed of a metamaterial embedded in a dielectric matrix. Our version of the Discrete Dipole Approximation code, the EDDA code, has been formulated specifically to tackle this kind of problem, including materials with either magnetic and tensor properties.

The Role of Generation Volume and Photon Recycling in Transport Imaging of Bulk Materials

DTIC Science & Technology

2011-12-01

cobalt . The value and uniformity of the mobility-lifetime product determine the quality of spectral resolution that can be obtained. Figure 1 137...on dopants and defects. Figure 24 Schematic of photon recycling effect To measure the photon recycling in a material, the full emission spectrum

Synthesis of bulk-size transparent gadolinium oxide–polymer nanocomposites for gamma ray spectroscopy

PubMed Central

Cai, Wen; Chen, Qi; Cherepy, Nerine; Dooraghi, Alex; Kishpaugh, David; Chatziioannou, Arion; Payne, Stephen; Xiang, Weidong

2015-01-01

Heavy element loaded polymer composites have long been proposed to detect high energy X- and γ-rays upon scintillation. The previously reported bulk composite scintillators have achieved limited success because of the diminished light output resulting from fluorescence quenching and opacity. We demonstrate the synthesis of a transparent nanocomposite comprising gadolinium oxide nanocrystals uniformly dispersed in bulk-size samples at a high loading content. The strategy to avoid luminescence quenching and opacity in the nanocomposite was successfully deployed, which led to the radioluminescence light yield of up to 27 000/MeV, about twice as much as standard commercial plastic scintillators. Nanocomposites monoliths (14 mm diameter by 3 mm thickness) with 31 wt% loading of nanocrystals generated a photoelectric peak for Cs-137 gamma (662 keV) with 11.4% energy resolution. PMID:26478816

Electron and Nucleon Localization Functions of Oganesson: Approaching the Thomas-Fermi Limit

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

Jerabek, Paul; Schuetrumpf, Bastian; Schwerdtfeger, Peter

Fermion localization functions are used to discuss electronic and nucleonic shell structure effects in the superheavy element oganesson, the heaviest element discovered to date. Spin-orbit splitting in the 7p electronic shell becomes so large (~10 eV) that Og is expected to show uniform-gas-like behavior in the valence region with a rather large dipole polarizability compared to the lighter rare gas elements. The nucleon localization in Og is also predicted to undergo a transition to the Thomas-Fermi gas behavior in the valence region. Finally, this effect, particularly strong for neutrons, is due to the high density of single-particle orbitals.

Electron and Nucleon Localization Functions of Oganesson: Approaching the Thomas-Fermi Limit

DOE PAGES

Jerabek, Paul; Schuetrumpf, Bastian; Schwerdtfeger, Peter; ...

2018-01-31

Fermion localization functions are used to discuss electronic and nucleonic shell structure effects in the superheavy element oganesson, the heaviest element discovered to date. Spin-orbit splitting in the 7p electronic shell becomes so large (~10 eV) that Og is expected to show uniform-gas-like behavior in the valence region with a rather large dipole polarizability compared to the lighter rare gas elements. The nucleon localization in Og is also predicted to undergo a transition to the Thomas-Fermi gas behavior in the valence region. Finally, this effect, particularly strong for neutrons, is due to the high density of single-particle orbitals.

Dielectrophoretic columnar focusing device

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

James, Conrad D; Galambos, Paul C; Derzon, Mark S

2010-05-11

A dielectrophoretic columnar focusing device uses interdigitated microelectrodes to provide a spatially non-uniform electric field in a fluid that generates a dipole within particles in the fluid. The electric field causes the particles to either be attracted to or repelled from regions where the electric field gradient is large, depending on whether the particles are more or less polarizable than the fluid. The particles can thereby be forced into well defined stable paths along the interdigitated microelectrodes. The device can be used for flow cytometry, particle control, and other process applications, including cell counting or other types of particle counting,more » and for separations in material control.« less

Non-Uniform Bias Enhancement of a Varactor-Tuned FSS used with a Low Profile 2.4 GHz Dipole Antenna

NASA Technical Reports Server (NTRS)

Cure, David; Weller, Thomas M.; Miranda, Felix A.

2012-01-01

In this paper a low profile antenna using a nonuniformly biased varactor-tuned frequency selective surface (FSS) is presented. The tunable FSS avoids the use of vias and has a simplified DC bias network. The voltages to the DC bias ports can be varied independently allowing adjustment in the frequency response and enhanced radiation properties. The measured data demonstrate tunability from 2.15 GHz to 2.63 GHz with peak efficiencies that range from 50% to 90% and instantaneous bandwidths of 50 MHz to 280 MHz within the tuning range. The total antenna thickness is approximately lambda/45.

Electric and magnetic target polarization in quantum radar

NASA Astrophysics Data System (ADS)

Brandsema, Matthew J.; Narayanan, Ram M.; Lanzagorta, Marco

2017-05-01

In this paper, we discuss the effect that photon polarization has on the quantum radar cross section (QRCS) during the special case scenario of when the target is enveloped in either a uniform electric field or magnetic field and all of its atomic electric/magnetic dipole moments become aligned (target polarization). This target polarization causes the coupling between the photon and the matter to change and alter the scattering characteristics of the target. Most notably, it causes scattering to be very near zero at a specified angle. We also investigate the relationship between electric and magnetic types of coupling and find that the electric contribution dominates the QRCS response.

Electron and Nucleon Localization Functions of Oganesson: Approaching the Thomas-Fermi Limit

NASA Astrophysics Data System (ADS)

Jerabek, Paul; Schuetrumpf, Bastian; Schwerdtfeger, Peter; Nazarewicz, Witold

2018-02-01

Fermion localization functions are used to discuss electronic and nucleonic shell structure effects in the superheavy element oganesson, the heaviest element discovered to date. Spin-orbit splitting in the 7 p electronic shell becomes so large (˜10 eV ) that Og is expected to show uniform-gas-like behavior in the valence region with a rather large dipole polarizability compared to the lighter rare gas elements. The nucleon localization in Og is also predicted to undergo a transition to the Thomas-Fermi gas behavior in the valence region. This effect, particularly strong for neutrons, is due to the high density of single-particle orbitals.

Mineral chemistry of the Tissint meteorite: Indications of two-stage crystallization in a closed system

NASA Astrophysics Data System (ADS)

Liu, Yang; Baziotis, Ioannis P.; Asimow, Paul D.; Bodnar, Robert J.; Taylor, Lawrence A.

2016-12-01

The Tissint meteorite is a geochemically depleted, olivine-phyric shergottite. Olivine megacrysts contain 300-600 μm cores with uniform Mg# ( 80 ± 1) followed by concentric zones of Fe-enrichment toward the rims. We applied a number of tests to distinguish the relationship of these megacrysts to the host rock. Major and trace element compositions of the Mg-rich core in olivine are in equilibrium with the bulk rock, within uncertainty, and rare earth element abundances of melt inclusions in Mg-rich olivines reported in the literature are similar to those of the bulk rock. Moreover, the P Kα intensity maps of two large olivine grains show no resorption between the uniform core and the rim. Taken together, these lines of evidence suggest the olivine megacrysts are phenocrysts. Among depleted olivine-phyric shergottites, Tissint is the first one that acts mostly as a closed system with olivine megacrysts being the phenocrysts. The texture and mineral chemistry of Tissint indicate a crystallization sequence of: olivine (Mg# 80 ± 1) → olivine (Mg# 76) + chromite → olivine (Mg# 74) + Ti-chromite → olivine (Mg# 74-63) + pyroxene (Mg# 76-65) + Cr-ulvöspinel → olivine (Mg# 63-35) + pyroxene (Mg# 65-60) + plagioclase, followed by late-stage ilmenite and phosphate. The crystallization of the Tissint meteorite likely occurred in two stages: uniform olivine cores likely crystallized under equilibrium conditions; and a fractional crystallization sequence that formed the rest of the rock. The two-stage crystallization without crystal settling is simulated using MELTS and the Tissint bulk composition, and can broadly reproduce the crystallization sequence and mineral chemistry measured in the Tissint samples. The transition between equilibrium and fractional crystallization is associated with a dramatic increase in cooling rate and might have been driven by an acceleration in the ascent rate or by encounter with a steep thermal gradient in the Martian crust.

Optoelectronic tweezers for the measurement of the relative stiffness of erythrocytes

NASA Astrophysics Data System (ADS)

Neale, Steven L.; Mody, Nimesh; Selman, Colin; Cooper, Jonathan M.

2012-10-01

In this paper we describe the first use of Optoelectronic Tweezers (OET), an optically controlled micromanipulation method, to measure the relative stiffness of erythrocytes in mice. Cell stiffness is an important measure of cell health and in the case of erythrocytes, the most elastic cells in the body, an increase in cell stiffness can indicate pathologies such as type II diabetes mellitus or hypertension (high blood pressure). OET uses a photoconductive device to convert an optical pattern into and electrical pattern. The electrical fields will create a dipole within any polarisable particles in the device, such as cells, and non-uniformities of the field can be used to place unequal forces onto each side of the dipole thus moving the particle. In areas of the device where there are no field gradients, areas of constant illumination, the force on each side of the dipole will be equal, keeping the cell stationary, but as there are opposing forces on each side of the cell it will be stretched. The force each cell will experience will differ slightly so the stretching will depend on the cells polarisability as well as its stiffness. Because of this a relative stiffness rather than absolute stiffness is measured. We show that with standard conditions (20Vpp, 1.5MHz, 10mSm-1 medium conductivity) the cell's diameter changes by around 10% for healthy mouse erythrocytes and we show that due to the low light intensities required for OET, relative to conventional optical tweezers, multiple cells can be measured simultaneously.

Electrorheological crystallization of proteins and other molecules

DOEpatents

Craig, G.D.; Rupp, B.

1996-06-11

An electrorheological crystalline mass of a molecule is formed by dispersing the molecule in a dispersion fluid and subjecting the molecule dispersion to a uniform electrical field for a period of time during which time an electrorheological crystalline mass is formed. Molecules that may be used to form an electrorheological crystalline mass include any organic or inorganic molecule which has a permanent dipole and/or which is capable of becoming an induced dipole in the presence of an electric field. The molecules used to form the electrorheological crystalline mass are preferably macromolecules, such as biomolecules, such as proteins, nucleic acids, carbohydrates, lipoproteins and viruses. Molecules are crystallized by a method in which an electric field is maintained for a period of time after the electrorheological crystalline mass has formed during which time at least some of the molecules making up the electrorheological crystalline mass form a crystal lattice. The three dimensional structure of a molecule is determined by a method in which an electrorheological crystalline mass of the molecule is formed, an X-ray diffraction pattern of the electrorheological crystalline mass is obtained and the three dimensional structure of the molecule is calculated from the X-ray diffraction pattern. 4 figs.

Electrorheological crystallization of proteins and other molecules

DOEpatents

Craig, George D.; Rupp, Bernhard

1996-01-01

An electrorheological crystalline mass of a molecule is formed by dispersing the molecule in a dispersion fluid and subjecting the molecule dispersion to a uniform electrical field for a period of time during which time an electrorheological crystalline mass is formed. Molecules that may be used to form an electrorheological crystalline mass include any organic or inorganic molecule which has a permanent dipole and/or which is capable of becoming an induced dipole in the presence of an electric field. The molecules used to form the electrorheological crystalline mass are preferably macromolecules, such as biomolecules, such as proteins, nucleic acids, carbohydrates, lipoproteins and viruses. Molecules are crystallized by a method in which an electric field is maintained for a period of time after the electrorheological crystalline mass has formed during which time at least some of the molecules making up the electrorheological crystalline mass form a crystal lattice. The three dimensional structure of a molecule is determined by a method in which an electrorheological crystalline mass of the molecule is formed, an x-ray diffraction pattern of the electrorheological crystalline mass is obtained and the three dimensional structure of the molecule is calculated from the x-ray diffraction pattern.

Observation of interlayer excitons in MoSe2 single crystals

NASA Astrophysics Data System (ADS)

Horng, Jason; Stroucken, Tineke; Zhang, Long; Paik, Eunice Y.; Deng, Hui; Koch, Stephan W.

2018-06-01

Interlayer excitons with direct optical transitions are observed coexisting with intralayer excitons in the same K valleys in bilayer, few-layer, and bulk MoSe2 single crystals by confocal reflection contrast spectroscopy. Quantitative analysis using the Dirac-Bloch equations provides unambiguous state assignment of all the measured resonances. The interlayer excitons in bilayer MoSe2 have a large binding energy of 153 meV and a narrow linewidth of 20 meV. Their spectral weight is comparable to the commonly studied higher-order intralayer excitons. At the same time, the interlayer excitons are characterized by distinct transition energies and permanent dipole moments, providing a promising high temperature and optically accessible platform for dipolar exciton physics.

First-Principles Framework to Compute Sum-Frequency Generation Vibrational Spectra of Semiconductors and Insulators.

PubMed

Wan, Quan; Galli, Giulia

2015-12-11

We present a first-principles framework to compute sum-frequency generation (SFG) vibrational spectra of semiconductors and insulators. The method is based on density functional theory and the use of maximally localized Wannier functions to compute the response to electric fields, and it includes the effect of electric field gradients at surfaces. In addition, it includes quadrupole contributions to SFG spectra, thus enabling the verification of the dipole approximation, whose validity determines the surface specificity of SFG spectroscopy. We compute the SFG spectra of ice I_{h} basal surfaces and identify which spectra components are affected by bulk contributions. Our results are in good agreement with experiments at low temperature.

Enhanced thermoelectric performance of Bi2Te3 through uniform dispersion of single wall carbon nanotubes

NASA Astrophysics Data System (ADS)

Ahmad, Kaleem; Wan, Chunlei

2017-10-01

The advancement in nanostructured powder processing has attracted great interest as a cost effective and scalable strategy for high performance thermoelectric bulk materials. However, the level of technical breakthrough realized in quantum dot supperlattices/wires has not yet been demonstrated in these materials. Here, we report the first ever study on the uniform dispersion of single wall carbon nanotubes (SWCNTs) in nanostructured Bi2Te3 bulk, and their effect on thermoelectric parameters above room temperature. The Bi2Te3 based SWCNT composites were prepared through controlled powder processing, and their thermoelectric properties were finely tuned at the nanoscale by regulating various (0.5, 0.75, 1.0 and 1.5) vol% of SWCNTs in the matrix. The flexible ropes of SWCNT, making an interconnected network through the inter/trans granular positions of Bi2Te3, thus substantially change the transport properties of the composites. The perfect one-dimensional (1D) conducting structure of SWCNTs acts as a source of electrical transport through a percolating network, with significantly suppressed lattice thermal conductivity, via intensified boundary scattering. The remarkable increase in power factor is ascribed to energy filtering effects and excellent electrical transport of 1D SWCNTs in the composites. Consequently, with a considerable reduction in thermal conductivity, the figure of merit culminates in a several-fold improvement, at 0.5 vol% of SWCNTs, over pristine bulk Bi2Te3.

Enhanced thermoelectric performance of Bi2Te3 through uniform dispersion of single wall carbon nanotubes.

PubMed

Ahmad, Kaleem; Wan, Chunlei

2017-10-13

The advancement in nanostructured powder processing has attracted great interest as a cost effective and scalable strategy for high performance thermoelectric bulk materials. However, the level of technical breakthrough realized in quantum dot supperlattices/wires has not yet been demonstrated in these materials. Here, we report the first ever study on the uniform dispersion of single wall carbon nanotubes (SWCNTs) in nanostructured Bi 2 Te 3 bulk, and their effect on thermoelectric parameters above room temperature. The Bi 2 Te 3 based SWCNT composites were prepared through controlled powder processing, and their thermoelectric properties were finely tuned at the nanoscale by regulating various (0.5, 0.75, 1.0 and 1.5) vol% of SWCNTs in the matrix. The flexible ropes of SWCNT, making an interconnected network through the inter/trans granular positions of Bi 2 Te 3 , thus substantially change the transport properties of the composites. The perfect one-dimensional (1D) conducting structure of SWCNTs acts as a source of electrical transport through a percolating network, with significantly suppressed lattice thermal conductivity, via intensified boundary scattering. The remarkable increase in power factor is ascribed to energy filtering effects and excellent electrical transport of 1D SWCNTs in the composites. Consequently, with a considerable reduction in thermal conductivity, the figure of merit culminates in a several-fold improvement, at 0.5 vol% of SWCNTs, over pristine bulk Bi 2 Te 3 .

Growth of Cadmium-Zinc Telluride Crystals by Controlled Seeding Contactless Physical Vapor Transport

NASA Technical Reports Server (NTRS)

Palosz, W.; Grasza, K.; Gillies, D.; Jerman, G.

1996-01-01

Bulk crystals of cadmium-zinc telluride, 23 mm in diameter and up to 45 grams in weight were grown. Controlled seed formation procedure was used to limit the number of grains in the crystal. Most uniform distribution of ZnTe in the crystals was obtained using excess (Cd + Zn) pressure in the ampoule.

Density functional theory based molecular dynamics study of hydration and electronic properties of aqueous La(3+).

PubMed

Terrier, Cyril; Vitorge, Pierre; Gaigeot, Marie-Pierre; Spezia, Riccardo; Vuilleumier, Rodolphe

2010-07-28

Structural and electronic properties of La(3+) immersed in bulk water have been assessed by means of density functional theory (DFT)-based Car-Parrinello molecular dynamics (CPMD) simulations. Correct structural properties, i.e., La(III)-water distances and La(III) coordination number, can be obtained within the framework of Car-Parrinello simulations providing that both the La pseudopotential and conditions of the dynamics (fictitious mass and time step) are carefully set up. DFT-MD explicitly treats electronic densities and is shown here to provide a theoretical justification to the necessity of including polarization when studying highly charged cations such as lanthanoids(III) with classical MD. La(3+) was found to strongly polarize the water molecules located in the first shell, giving rise to dipole moments about 0.5 D larger than those of bulk water molecules. Finally, analyzing Kohn-Sham orbitals, we found La(3+) empty 4f orbitals extremely compact and to a great extent uncoupled from the water conduction band, while the 5d empty orbitals exhibit mixing with unoccupied states of water.

Resonantly enhanced second-harmonic generation using III–V semiconductor all-dielectric metasurfaces

DOE PAGES

Liu, Sheng; Sinclair, Michael B.; Saravi, Sina; ...

2016-08-08

Nonlinear optical phenomena in nanostructured materials have been challenging our perceptions of nonlinear optical processes that have been explored since the invention of lasers. For example, the ability to control optical field confinement, enhancement, and scattering almost independently allows nonlinear frequency conversion efficiencies to be enhanced by many orders of magnitude compared to bulk materials. Also, the subwavelength length scale renders phase matching issues irrelevant. Compared with plasmonic nanostructures, dielectric resonator metamaterials show great promise for enhanced nonlinear optical processes due to their larger mode volumes. Here, we present, for the first time, resonantly enhanced second-harmonic generation (SHG) using galliummore » arsenide (GaAs) based dielectric metasurfaces. Using arrays of cylindrical resonators we observe SHG enhancement factors as large as 10 4 relative to unpatterned GaAs. At the magnetic dipole resonance, we measure an absolute nonlinear conversion efficiency of ~2 × 10 –5 with ~3.4 GW/cm 2 pump intensity. In conclusion, the polarization properties of the SHG reveal that both bulk and surface nonlinearities play important roles in the observed nonlinear process.« less

Epoxy-based hydrogels investigated by high-frequency dielectric relaxation spectroscopy.

PubMed

Krakovský, Ivan; Shikata, Toshiyuki; Hasegawa, Ryuta

2013-11-14

Using high-frequency dielectric relaxation spectroscopy, nanophase-separated structures of epoxy-based hydrogels were investigated as a function of water content at 25 °C. The dielectric spectra resulting from the hydrogels were reasonably decomposed into two Debye-type and two Cole-Cole-type relaxation modes. The fastest Debye-type mode, found at 8.3 ps, was attributed to the rotational relaxation process of free water molecules in the bulk state. The other Debye-type mode, at ca. 20-34 ps, originates from the exchange process of water molecules that are hydrogen-bonded to the hydrophilic epoxy network portions for free bulk ones. The first Cole-Cole-type mode observed, at ca. 20-370 ps, was assigned to the complicated dynamics for electric dipole moments of the hydrophilic groups in the epoxy networks (mainly monomeric oxyethylene units). The slowest major Cole-Cole-type mode, at 5-29 ns, was attributed to the Maxwell-Wagner-Sillars polarization process and confirmed the presence of the nanophase-separated structures as revealed by the previous small-angle neutron scattering experiments.

Understanding the Origins of Dipolar Couplings and Correlated Motion in the Vibrational Spectrum of Water.

PubMed

Heyden, Matthias; Sun, Jian; Forbert, Harald; Mathias, Gerald; Havenith, Martina; Marx, Dominik

2012-08-16

The combination of vibrational spectroscopy and molecular dynamics simulations provides a powerful tool to obtain insights into the molecular details of water structure and dynamics in the bulk and in aqueous solutions. Applying newly developed approaches to analyze correlations of charge currents, molecular dipole fluctuations, and vibrational motion in real and k-space, we compare results from nonpolarizable water models, widely used in biomolecular modeling, to ab initio molecular dynamics. For the first time, we unfold the infrared response of bulk water into contributions from correlated fluctuations in the three-dimensional, anisotropic environment of an average water molecule, from the OH-stretching region down to the THz regime. Our findings show that the absence of electronic polarizability in the force field model not only results in differences in dipolar couplings and infrared absorption but also induces artifacts into the correlated vibrational motion between hydrogen-bonded water molecules, specifically at the intramolecular bending frequency. Consequently, vibrational motion is partially ill-described with implications for the accuracy of non-self-consistent, a posteriori methods to add polarizability.

Band transition and topological interface modes in 1D elastic phononic crystals.

PubMed

Yin, Jianfei; Ruzzene, Massimo; Wen, Jihong; Yu, Dianlong; Cai, Li; Yue, Linfeng

2018-05-01

In this report, we design a one-dimensional elastic phononic crystal (PC) comprised of an Aluminum beam with periodically arranged cross-sections to study the inversion of bulk bands due to the change of topological phases. As the geometric parameters of the unit cell varies, the second bulk band closes and reopens forming a topological transition point. This phenomenon is confirmed for both longitudinal waves and bending waves. By constructing a structural system formed by two PCs with different topological phases, for the first time, we experimentally demonstrate the existence of interface mode within the bulk band gap as a result of topological transition for both longitudinal and bending modes in elastic systems, although for bending modes, additional conditions have to be met in order to have the interface mode due to the dispersive nature of the bending waves in uniform media compared to the longitudinal waves.

Sensitivity of polarization fluctuations to the nature of protein-water interactions: Study of biological water in four different protein-water systems

NASA Astrophysics Data System (ADS)

Ghosh, Rikhia; Banerjee, Saikat; Hazra, Milan; Roy, Susmita; Bagchi, Biman

2014-12-01

Since the time of Kirkwood, observed deviations in magnitude of the dielectric constant of aqueous protein solution from that of neat water (˜80) and slower decay of polarization have been subjects of enormous interest, controversy, and debate. Most of the common proteins have large permanent dipole moments (often more than 100 D) that can influence structure and dynamics of even distant water molecules, thereby affecting collective polarization fluctuation of the solution, which in turn can significantly alter solution's dielectric constant. Therefore, distance dependence of polarization fluctuation can provide important insight into the nature of biological water. We explore these aspects by studying aqueous solutions of four different proteins of different characteristics and varying sizes, chicken villin headpiece subdomain (HP-36), immunoglobulin binding domain protein G (GB1), hen-egg white lysozyme (LYS), and Myoglobin (MYO). We simulate fairly large systems consisting of single protein molecule and 20000-30000 water molecules (varied according to the protein size), providing a concentration in the range of ˜2-3 mM. We find that the calculated dielectric constant of the system shows a noticeable increment in all the cases compared to that of neat water. Total dipole moment auto time correlation function of water ⟨δMW(0)δMW(t)⟩ is found to be sensitive to the nature of the protein. Surprisingly, dipole moment of the protein and total dipole moment of the water molecules are found to be only weakly coupled. Shellwise decomposition of water molecules around protein reveals higher density of first layer compared to the succeeding ones. We also calculate heuristic effective dielectric constant of successive layers and find that the layer adjacent to protein has much lower value (˜50). However, progressive layers exhibit successive increment of dielectric constant, finally reaching a value close to that of bulk 4-5 layers away. We also calculate shellwise orientational correlation function and tetrahedral order parameter to understand the local dynamics and structural re-arrangement of water. Theoretical analysis providing simple method for calculation of shellwise local dielectric constant and implication of these findings are elaborately discussed in the present work.

Mixed cerium-platinum oxides: Electronic structure of [CeO]Pt{sub n} (n = 1, 2) and [CeO{sub 2}]Pt complex anions and neutrals

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

Ray, Manisha; Kafader, Jared O.; Topolski, Josey E.

The electronic structures of several small Ce–Pt oxide complexes were explored using a combination of anion photoelectron (PE) spectroscopy and density functional theory calculations. Pt and Pt{sub 2} both accept electron density from CeO diatomic molecules, in which the cerium atom is in a lower-than-bulk oxidation state (+2 versus bulk +4). Neutral [CeO]Pt and [CeO]Pt{sub 2} complexes are therefore ionic, with electronic structures described qualitatively as [CeO{sup +2}]Pt{sup −2} and [CeO{sup +}]Pt{sub 2}{sup −}, respectively. The associated anions are described qualitatively as [CeO{sup +}]Pt{sup −2} and [CeO{sup +}]Pt{sub 2}{sup −2}, respectively. In both neutrals and anions, the most stable molecularmore » structures determined by calculations feature a distinct CeO moiety, with the positively charged Ce center pointing toward the electron rich Pt or Pt{sub 2} moiety. Spectral simulations based on calculated spectroscopic parameters are in fair agreement with the spectra, validating the computationally determined structures. In contrast, when Pt is coupled with CeO{sub 2}, which has no Ce-localized electrons that can readily be donated to Pt, the anion is described as [CeO{sub 2}]Pt{sup −}. The molecular structure predicted computationally suggests that it is governed by charge-dipole interactions. The neutral [CeO{sub 2}]Pt complex lacks charge-dipole stabilizing interactions, and is predicted to be structurally very different from the anion, featuring a single Pt–O–Ce bridge bond. The PE spectra of several of the complexes exhibit evidence of photodissociation with Pt{sup −} daughter ion formation. The electronic structures of these complexes are related to local interactions in Pt-ceria catalyst-support systems.« less

Computational Studies of [Bmim][PF6]/n-Alcohol Interfaces with Many-Body Potentials

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

Chang, Tsun-Mei; Dang, Liem X.

2014-09-04

In this paper, we present the results from molecular-dynamics simulations of the equilibrium properties of liquid/liquid interfaces of room temperature ionic liquid [bmim][PF6] and simple alcohols (i.e., methanol, 1-butanol, and 1-hexanol) at room temperature. Polarizable potential models are employed to describe the interactions among species. Results from our simulations show stable interfaces between the ionic liquid and n-alcohols, and we found that the interfacial widths decrease from methanol to 1-butanol systems, and then increase for 1-hexanol interfaces. Angular distribution analysis reveals that the interface induces a strong orientational order of [bmim] and n-alcohol molecules near the interface, with [bmim] extendingmore » its butyl group into the alcohol phase while the alcohol has the OH group pointing into the ion liquid region, which is consistent with the recent sum-frequency-generation experiments. We found the interface to have a significant influence on the dynamics of ionic liquids and n-alcohols. The orientational autocorrelation functions illustrate that [bmim] rotate more freely near the interface than in the bulk, while the rotation of n-alcohol is hindered at the interface. Additionally, the time scale associated with the diffusion along the interfacial direction is found to be faster for [bmim] but slowed down for n-alcohols approaching the interface. We also calculate the dipole moment of n-alcohols as a function of the distance normal to the interface. We found that, even though methanol and 1-butanol have different dipole moments in bulk phase, they reach a similar value at the interface. This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. Pacific Northwest National Laboratory is a multiprogram national laboratory operated for the Department of Energy by Battelle. The calculations were carried out using computer resources provided by the Office of Basic Energy Sciences.« less

On angled bounce-off impact of a drop impinging on a flowing soap film

NASA Astrophysics Data System (ADS)

Basu, Saikat; Yawar, Ali; Concha, Andres; Bandi, M. M.

2017-12-01

Small drops impinging obliquely on thin flowing soap films frequently demonstrate the rare emergence of bulk elastic effects working in-tandem with the more commonplace hydrodynamic interactions. Three collision regimes are observable: (a) drop piercing through the film, (b) it coalescing with the flow, and (c) it bouncing off the film surface. During impact, the drop deforms along with a bulk elastic deformation of the film. For impacts that are close-to-tangential, the bounce-off regime predominates. We outline a reduced order analytical framework assuming a deformable drop and a deformable three-dimensional film, and the idealization invokes a phase-based parametric study. Angular inclination of the film and the ratio of post and pre-impact drop sizes entail the phase parameters. We also perform experiments with vertically descending droplets (constituted from deionized water) impacting against an inclined soap film, flowing under constant pressure head. Model-predicted phase domain for bounce-off compares well to our experimental findings. Additionally, the experiments exhibit momentum transfer to the film in the form of shed vortex dipoles, along with propagation of free surface waves. On consulting prior published work, we note that for locomotion of water-walking insects using an impulsive action, the momentum distribution to the shed vortices and waves are both significant, taking up respectively 2/3 and 1/3 of the imparted streamwise momentum. Considering the visually similar impulse actions, this theory, despite its assumption of a quiescent liquid bath of infinite depth, is applied to the drop bounce-off experiments, and the resultant shed vortex dipole momenta are compared to the momenta of the coherent vortex structures computed from particle imaging velocimetry data. The magnitudes reveal identical order (10-7 N s), suggesting that notwithstanding the disparities, the bounce-off regime may be tapped as a toy analog for impulse-based interfacial biolocomotion.

Cooperative effects between color centers in diamond: applications to optical tweezers and optomechanics

NASA Astrophysics Data System (ADS)

Bradac, Carlo; Prasanna Venkatesh, B.; Besga, Benjamin; Johnsson, Mattias; Brennen, Gavin; Molina-Terriza, Gabriel; Volz, Thomas; Juan, Mathieu L.

2017-08-01

Since the early work by Ashkin in 1970,1 optical trapping has become one of the most powerful tools for manipulating small particles, such as micron sized beads2 or single atoms.3 Interestingly, both an atom and a lump of dielectric material can be manipulated through the same mechanism: the interaction energy of a dipole and the electric field of the laser light. In the case of atom trapping, the dominant contribution typically comes from the allowed optical transition closest to the laser wavelength while it is given by the bulk polarisability for mesoscopic particles. This difference lead to two very different contexts of applications: one being the trapping of small objects mainly in biological settings,4 the other one being dipole traps for individual neutral atoms5 in the field of quantum optics. In this context, solid state artificial atoms present the interesting opportunity to combine these two aspects of optical manipulation. We are particularly interested in nanodiamonds as they constitute a bulk dielectric object by themselves, but also contain artificial atoms such as nitrogen-vacancy (NV) or silicon-vacancy (SiV) colour centers. With this system, both regimes of optical trapping can be observed at the same time even at room temperature. In this work, we demonstrate that the resonant force from the optical transition of NV centres at 637 nm can be measured in a nanodiamond trapped in water. This additional contribution to the total force is significant, reaching up to 10%. In addition, due to the very large density of NV centres in a sub-wavelength crystal, collective effects between centres have an important effect on the magnitude of the resonant force.6 The possibility to observe such cooperatively enhanced optical force at room temperature is also theoretically confirmed.7 This approach may enable the study of cooperativity in various nanoscale solid-state systems and the use of atomic physics techniques in the field of nano-manipulation and opto-mechanics.

Effects of Inductively Coupled Plasma Hydrogen on Long-Wavelength Infrared HgCdTe Photodiodes

NASA Astrophysics Data System (ADS)

Boieriu, P.; Buurma, C.; Bommena, R.; Blissett, C.; Grein, C.; Sivananthan, S.

2013-12-01

Bulk passivation of semiconductors with hydrogen continues to be investigated for its potential to improve device performance. In this work, hydrogen-only inductively coupled plasma (ICP) was used to incorporate hydrogen into long-wavelength infrared HgCdTe photodiodes grown by molecular-beam epitaxy. Fully fabricated devices exposed to ICP showed statistically significant increases in zero-bias impedance values, improved uniformity, and decreased dark currents. HgCdTe photodiodes on Si substrates passivated with amorphous ZnS exhibited reductions in shunt currents, whereas devices on CdZnTe substrates passivated with polycrystalline CdTe exhibited reduced surface leakage, suggesting that hydrogen passivates defects in bulk HgCdTe and in CdTe.

Propagation of sound waves through a linear shear layer: A closed form solution

NASA Technical Reports Server (NTRS)

Scott, J. N.

1978-01-01

Closed form solutions are presented for sound propagation from a line source in or near a shear layer. The analysis was exact for all frequencies and was developed assuming a linear velocity profile in the shear layer. This assumption allowed the solution to be expressed in terms of parabolic cyclinder functions. The solution is presented for a line monopole source first embedded in the uniform flow and then in the shear layer. Solutions are also discussed for certain types of dipole and quadrupole sources. Asymptotic expansions of the exact solutions for small and large values of Strouhal number gave expressions which correspond to solutions previously obtained for these limiting cases.

Superchiral Light Generation on Degenerate Achiral Surfaces

NASA Astrophysics Data System (ADS)

Vázquez-Guardado, Abraham; Chanda, Debashis

2018-03-01

A novel route of superchiral near-field generation is demonstrated based on geometrically achiral systems supporting degenerate and spatially superimposed plasmonic modes. Such systems generate a single-handed chiral near field with simultaneous zero far-field circular dichroism. The phenomenon is theoretically elucidated with a rotating dipole model, which predicts a uniform single-handed chiral near field that flips handedness solely by reversing the handedness of the source. This property allows detection of pure background free molecular chirality through near-field light-matter interaction, which is experimentally demonstrated in the precise identification of both handedness of a chiral molecule on a single substrate with about four orders of magnitude enhancement in detection sensitivity compared to its conventional volumetric counterpart.

Self-sustaining charging of identical colliding particles

NASA Astrophysics Data System (ADS)

Siu, Theo; Cotton, Jake; Mattson, Gregory; Shinbrot, Troy

2014-05-01

Recent experiments have demonstrated that identical material samples can charge one another after being brought into symmetric contact. The mechanism for this charging is not known. In this article, we use a simplified one-dimensional lattice model to analyze charging in the context of agitated particles. We find that the electric field from a single weakly polarized grain can feed back on itself by polarizing its neighbors, leading to an exponential growth in polarization. We show that, by incorporating partial neutralization between neighboring polarized particles, either uniform alignment of dipoles or complex charge and polarization waves can be produced. We reproduce a polarized state experimentally using identical colliding particles and raise several issues for future study.

Packing Fraction of a Two-dimensional Eden Model with Random-Sized Particles

NASA Astrophysics Data System (ADS)

Kobayashi, Naoki; Yamazaki, Hiroshi

2018-01-01

We have performed a numerical simulation of a two-dimensional Eden model with random-size particles. In the present model, the particle radii are generated from a Gaussian distribution with mean μ and standard deviation σ. First, we have examined the bulk packing fraction for the Eden cluster and investigated the effects of the standard deviation and the total number of particles NT. We show that the bulk packing fraction depends on the number of particles and the standard deviation. In particular, for the dependence on the standard deviation, we have determined the asymptotic value of the bulk packing fraction in the limit of the dimensionless standard deviation. This value is larger than the packing fraction obtained in a previous study of the Eden model with uniform-size particles. Secondly, we have investigated the packing fraction of the entire Eden cluster including the effect of the interface fluctuation. We find that the entire packing fraction depends on the number of particles while it is independent of the standard deviation, in contrast to the bulk packing fraction. In a similar way to the bulk packing fraction, we have obtained the asymptotic value of the entire packing fraction in the limit NT → ∞. The obtained value of the entire packing fraction is smaller than that of the bulk value. This fact suggests that the interface fluctuation of the Eden cluster influences the packing fraction.

Nanoscale NMR spectroscopy and imaging of multiple nuclear species.

PubMed

DeVience, Stephen J; Pham, Linh M; Lovchinsky, Igor; Sushkov, Alexander O; Bar-Gill, Nir; Belthangady, Chinmay; Casola, Francesco; Corbett, Madeleine; Zhang, Huiliang; Lukin, Mikhail; Park, Hongkun; Yacoby, Amir; Walsworth, Ronald L

2015-02-01

Nuclear magnetic resonance (NMR) spectroscopy and magnetic resonance imaging (MRI) provide non-invasive information about multiple nuclear species in bulk matter, with wide-ranging applications from basic physics and chemistry to biomedical imaging. However, the spatial resolution of conventional NMR and MRI is limited to several micrometres even at large magnetic fields (>1 T), which is inadequate for many frontier scientific applications such as single-molecule NMR spectroscopy and in vivo MRI of individual biological cells. A promising approach for nanoscale NMR and MRI exploits optical measurements of nitrogen-vacancy (NV) colour centres in diamond, which provide a combination of magnetic field sensitivity and nanoscale spatial resolution unmatched by any existing technology, while operating under ambient conditions in a robust, solid-state system. Recently, single, shallow NV centres were used to demonstrate NMR of nanoscale ensembles of proton spins, consisting of a statistical polarization equivalent to ∼100-1,000 spins in uniform samples covering the surface of a bulk diamond chip. Here, we realize nanoscale NMR spectroscopy and MRI of multiple nuclear species ((1)H, (19)F, (31)P) in non-uniform (spatially structured) samples under ambient conditions and at moderate magnetic fields (∼20 mT) using two complementary sensor modalities.

Microfluidic Preparation of Polymer-Nucleic Acid Nanocomplexes Improves Nonviral Gene Transfer

NASA Astrophysics Data System (ADS)

Grigsby, Christopher L.; Ho, Yi-Ping; Lin, Chao; Engbersen, Johan F. J.; Leong, Kam W.

2013-11-01

As the designs of polymer systems used to deliver nucleic acids continue to evolve, it is becoming increasingly apparent that the basic bulk manufacturing techniques of the past will be insufficient to produce polymer-nucleic acid nanocomplexes that possess the uniformity, stability, and potency required for their successful clinical translation and widespread commercialization. Traditional bulk-prepared products are often physicochemically heterogeneous and may vary significantly from one batch to the next. Here we show that preparation of bioreducible nanocomplexes with an emulsion-based droplet microfluidic system produces significantly improved nanoparticles that are up to fifty percent smaller, more uniform, and are less prone to aggregation. The intracellular integrity of nanocomplexes prepared with this microfluidic method is significantly prolonged, as detected using a high-throughput flow cytometric quantum dot Förster resonance energy transfer nanosensor system. These physical attributes conspire to consistently enhance the delivery of both plasmid DNA and messenger RNA payloads in stem cells, primary cells, and human cell lines. Innovation in processing is necessary to move the field toward the broader clinical implementation of safe and effective nonviral nucleic acid therapeutics, and preparation with droplet microfluidics represents a step forward in addressing the critical barrier of robust and reproducible nanocomplex production.

Efficient mixing of the solar nebula from uniform Mo isotopic composition of meteorites.

PubMed

Becker, Harry; Walker, Richard J

2003-09-11

The abundances of elements and their isotopes in our Galaxy show wide variations, reflecting different nucleosynthetic processes in stars and the effects of Galactic evolution. These variations contrast with the uniformity of stable isotope abundances for many elements in the Solar System, which implies that processes efficiently homogenized dust and gas from different stellar sources within the young solar nebula. However, isotopic heterogeneity has been recognized on the subcentimetre scale in primitive meteorites, indicating that these preserve a compositional memory of their stellar sources. Small differences in the abundance of stable molybdenum isotopes in bulk rocks of some primitive and differentiated meteorites, relative to terrestrial Mo, suggest large-scale Mo isotopic heterogeneity between some inner Solar System bodies, which implies physical conditions that did not permit efficient mixing of gas and dust. Here we report Mo isotopic data for bulk samples of primitive and differentiated meteorites that show no resolvable deviations from terrestrial Mo. This suggests efficient mixing of gas and dust in the solar nebula at least to 3 au from the Sun, possibly induced by magnetohydrodynamic instabilities. These mixing processes must have occurred before isotopic fractionation of gas-phase elements and volatility-controlled chemical fractionations were established.

Planetary Interiors: Parametric Modeling of Global Geophysical Properties

NASA Astrophysics Data System (ADS)

Montgomery, W.; Jeanloz, R.

2004-12-01

Taking into account a realistic form of equation of state, we parameterize the degree to which bulk geophysical properties of planets are sensitive to gravitational self-compression. For example, the normalized moment of mass of a uniform-composition planet is C/Ma2 = 0.40 only in the limit of zero planetary size or incompressible material, and decreases toward 0.32 for finite compressibility as the planetary radius increases toward a = 104 km (M is planetary mass). Central density correspondingly increases from ρ 0, the surface density, toward 10 * ρ 0. Our calculations, based on the Eulerian finite-strain equation of state, make it possible to distinguish the effects of self-compression from the effects of non-uniformity (due either to changes in bulk composition or in phase with depth) as these influence planetary mass and moment of inertia relative to size. As observations of extra-solar planets can provide estimates of their mass and diameter (hence mean density), our formulation can account for the effects of compression in modeling the internal constitution and evolution of these objects. The effects of compression are especially important for giant and super-giant planets, such as the majority that have been observed to date.

Elementary Theoretical Forms for the Spatial Power Spectrum of Earth's Crustal Magnetic Field

NASA Technical Reports Server (NTRS)

Voorhies, C.

1998-01-01

The magnetic field produced by magnetization in Earth's crust and lithosphere can be distinguished from the field produced by electric currents in Earth's core because the spatial magnetic power spectrum of the crustal field differs from that of the core field. Theoretical forms for the spectrum of the crustal field are derived by treating each magnetic domain in the crust as the point source of a dipole field. The geologic null-hypothesis that such moments are uncorrelated is used to obtain the magnetic spectrum expected from a randomly magnetized, or unstructured, spherical crust of negligible thickness. This simplest spectral form is modified to allow for uniform crustal thickness, ellipsoidality, and the polarization of domains by an periodically reversing, geocentric axial dipole field from Earth's core. Such spectra are intended to describe the background crustal field. Magnetic anomalies due to correlated magnetization within coherent geologic structures may well be superimposed upon this background; yet representing each such anomaly with a single point dipole may lead to similar spectral forms. Results from attempts to fit these forms to observational spectra, determined via spherical harmonic analysis of MAGSAT data, are summarized in terms of amplitude, source depth, and misfit. Each theoretical spectrum reduces to a source factor multiplied by the usual exponential function of spherical harmonic degree n due to geometric attenuation with attitude above the source layer. The source factors always vary with n and are approximately proportional to n(exp 3) for degrees 12 through 120. The theoretical spectra are therefore not directly proportional to an exponential function of spherical harmonic degree n. There is no radius at which these spectra are flat, level, or otherwise independent of n.

65-nm full-chip implementation using double dipole lithography

NASA Astrophysics Data System (ADS)

Hsu, Stephen D.; Chen, J. Fung; Cororan, Noel; Knose, William T.; Van Den Broeke, Douglas J.; Laidig, Thomas L.; Wampler, Kurt E.; Shi, Xuelong; Hsu, Michael; Eurlings, Mark; Finders, Jo; Chiou, Tsann-Bim; Socha, Robert J.; Conley, Will; Hsieh, Yen W.; Tuan, Steve; Hsieh, Frank

2003-06-01

Double Dipole Lithography (DDL) has been demonstrated to be capable of patterning complex 2D patterns. Due to inherently high aerial imaging contrast, especially for dense features, we have found that it has a very good potential to meet manufacturing requirements for the 65nm node using ArF binary chrome masks. For patterning in the k1<0.35 regime without resorting to hard phase-shift masks (PSMs), DDL is one unique Resolution Enhancement Technique (RET) which can achieve an acceptable process window. To utilize DDL for printing actual IC devices, the original design data must be decomposed into "vertical (V)" and "horizontal (H)" masks for the respective X- and Y-dipole exposures. An improved two-pass, model-based, DDL mask data processing methodology has been established. It is capable of simultaneously converting complex logic and memory mask patterns into DDL compatible mask layout. To maximize the overlapped process window area, we have previously shown that the pattern-shielding algorithm must be intelligently applied together with both Scattering Bars (SBs) and model-based OPC (MOPC). Due to double exposures, stray light must be well-controlled to ensure uniform printing across the entire chip. One solution to minimize stray light is to apply large patches of solid chrome in open areas to reduce the background transmission during exposure. Unfortunately, this is not feasible for a typical clear-field poly gate masks to be patterned by a positive resist process. In this work, we report a production-worthy DDL mask pattern decomposition scheme for full-chip application. A new generation of DDL technology reticle set has been developed to verify the printing performance. Shielding is a critical part of the DDL. An innovative shielding scheme has been developed to protect the critical features and minimize the impact of stray light during double exposure.

Photoluminescence spectroscopy of YVO{sub 4}:Eu{sup 3+} nanoparticles with aromatic linker molecules: A precursor to biomedical functionalization

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

Senty, T. R.; Yalamanchi, M.; Cushing, S. K.

2014-04-28

Photoluminescence spectra of YVO{sub 4}:Eu{sup 3+} nanoparticles are presented, with and without the attachment of organic molecules that are proposed for linking to biomolecules. YVO{sub 4}:Eu{sup 3+} nanoparticles with 5% dopant concentration were synthesized via wet chemical synthesis. X-ray diffraction and transmission electron microscopy show the expected wakefieldite structure of tetragonal particles with an average size of 17 nm. Fourier-transform infrared spectroscopy determines that metal-carboxylate coordination is successful in replacing native metal-hydroxyl bonds with three organic linkers, namely, benzoic acid, 3-nitro 4-chloro-benzoic acid, and 3,4-dihydroxybenzoic acid, in separate treatments. UV-excitation photoluminescence spectra show that the position and intensity of the dominantmore » {sup 5}D{sub 0} – {sup 7}F{sub 2} electric-dipole transition at 619 nm are unaffected by the benzoic acid and 3-nitro 4-chloro-benzoic acid treatments. Attachment of 3,4-dihydroxybenzoic acid produces an order-of-magnitude quenching in the photoluminescence, due to the presence of high-frequency vibrational modes in the linker. Ratios of the dominant electric- and magnetic-dipole transitions confirm infrared measurements, which indicate that the bulk crystal of the nanoparticle is unchanged by all three treatments.« less

Spontaneous emission in the presence of a realistically sized cylindrical waveguide

NASA Astrophysics Data System (ADS)

Dung, Ho Trung

2016-02-01

Various quantities characterizing the spontaneous emission process of a dipole emitter including the emission rate and the emission pattern can be expressed in terms of the Green tensor of the surrounding environment. By expanding the Green tensor around some analytically known background one as a Born series, and truncating it under appropriate conditions, complicated boundaries can be tackled with ease. However, when the emitter is embedded in the medium, even the calculation of the first-order term in the Born series is problematic because of the presence of a singularity. We show how to eliminate this singularity for a medium of arbitrary size and shape by expanding around the bulk medium rather than vacuum. In the highly symmetric configuration of an emitter located on the axis of a realistically sized cylinder, it is shown that the singularity can be removed by changing the integral variables and then the order of integration. Using both methods, we investigate the spontaneous emission rate of an initially excited two-level dipole emitter, embedded in a realistically sized cylinder, which can be a common optical fiber in the long-length limit and a disk in the short-length limit. The spatial distribution of the emitted light is calculated using the Born-expansion approach, and local-field corrections to the spontaneous emission rate are briefly discussed.

A photonic link for donor spin qubits in silicon

NASA Astrophysics Data System (ADS)

Simmons, Stephanie

Atomically identical donor spin qubits in silicon offer excellent native quantum properties, which match or outperform many qubit rivals. To scale up such systems it would be advantageous to connect silicon donor spin qubits in a cavity-QED architecture. Many proposals in this direction introduce strong electric dipole interactions to the otherwise largely isolated spin qubit ground state in order to couple to superconducting cavities. Here I present an alternative approach, which uses the built-in strong electric dipole (optical) transitions of singly-ionized double donors in silicon. These donors, such as chalcogen donors S +, Se + and Te +, have the same ground-state spin Hamiltonians as shallow donors yet offer mid-gap binding energies and mid-IR optical access to excited orbital states. This photonic link is spin-selective which could be harnessed to measure and couple donor qubits using photonic cavity-QED. This approach should be robust to device environments with variable strains and electric fields, and will allow for CMOS- compatible, bulk-like, spatially separated donor qubit placement, optical parity measurements, and 4.2K operation. I will present preliminary data in support of this approach, including 4.2K optical initialization/readout in Earth's magnetic field, where long T1 and T2 times have been measured.

Connection stiffness and dynamical docking process of flux pinned spacecraft modules

NASA Astrophysics Data System (ADS)

Lu, Yong; Zhang, Mingliang; Gao, Dong

2014-02-01

This paper describes a novel kind of potential flux pinned docking system that consists of guidance navigation and control system, the traditional extrusion type propulsion system, and a flux pinned docking interface. Because of characteristics of passive stability of flux pinning, the docking control strategy of flux pinned docking system only needs a series of sequential control rather than necessary active feedback control, as well as avoidance of hazardous collision accident. The flux pinned force between YBaCuO (YBCO) high temperature superconductor bulk and permanent magnet is able to be given vent based on the identical current loop model and improved image dipole model, which can be validated experimentally. Thus, the connection stiffness between two flux pinned spacecraft modules can be calculated based on Hooke's law. This connection stiffness matrix at the equilibrium position has the positive definite performance, which can validate the passively stable connection of two flux pinned spacecraft modules theoretically. Furthermore, the relative orbital dynamical equation of two flux pinned spacecraft modules can be established based on Clohessy-Wiltshire's equations and improved image dipole model. The dynamical docking process between two flux pinned spacecraft modules can be obtained by way of numerical simulation, which suggests the feasibility of flux pinned docking system.

Heteronuclear transverse and longitudinal relaxation in AX4 spin systems: Application to 15N relaxations in 15NH4+

PubMed Central

Werbeck, Nicolas D.; Hansen, D. Flemming

2014-01-01

The equations that describe the time-evolution of transverse and longitudinal 15N magnetisations in tetrahedral ammonium ions, 15NH4+, are derived from the Bloch-Wangsness-Redfield density operator relaxation theory. It is assumed that the relaxation of the spin-states is dominated by (1) the intra-molecular 15N–1H and 1H–1H dipole–dipole interactions and (2) interactions of the ammonium protons with remote spins, which also include the contribution to the relaxations that arise from the exchange of the ammonium protons with the bulk solvent. The dipole–dipole cross-correlated relaxation mechanisms between each of the 15N–1H and 1H–1H interactions are explicitly taken into account in the derivations. An application to 15N-ammonium bound to a 41 kDa domain of the protein DnaK is presented, where a comparison between experiments and simulations show that the ammonium ion rotates rapidly within its binding site with a local correlation time shorter than approximately 1 ns. The theoretical framework provided here forms the basis for further investigations of dynamics of AX4 spin systems, with ammonium ions in solution and bound to proteins of particular interest. PMID:25128779

Connection stiffness and dynamical docking process of flux pinned spacecraft modules

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

Lu, Yong; Zhang, Mingliang, E-mail: niudun12@126.com; Gao, Dong

2014-02-14

This paper describes a novel kind of potential flux pinned docking system that consists of guidance navigation and control system, the traditional extrusion type propulsion system, and a flux pinned docking interface. Because of characteristics of passive stability of flux pinning, the docking control strategy of flux pinned docking system only needs a series of sequential control rather than necessary active feedback control, as well as avoidance of hazardous collision accident. The flux pinned force between YBaCuO (YBCO) high temperature superconductor bulk and permanent magnet is able to be given vent based on the identical current loop model and improvedmore » image dipole model, which can be validated experimentally. Thus, the connection stiffness between two flux pinned spacecraft modules can be calculated based on Hooke's law. This connection stiffness matrix at the equilibrium position has the positive definite performance, which can validate the passively stable connection of two flux pinned spacecraft modules theoretically. Furthermore, the relative orbital dynamical equation of two flux pinned spacecraft modules can be established based on Clohessy-Wiltshire's equations and improved image dipole model. The dynamical docking process between two flux pinned spacecraft modules can be obtained by way of numerical simulation, which suggests the feasibility of flux pinned docking system.« less

Elimination of a Photovoltaic Induced Fast Instability in Photorefractive Iron-doped Lithium Niobate Crystals

NASA Astrophysics Data System (ADS)

Evans, D. R.; Saleh, M. A.; Allen, A. S.; Pottenger, T. P.; Bunning, T. J.; Guha, S.; Basun, S. A.; Cook, G.

2002-03-01

An instability on the order of 10 ns is observed while writing volume gratings in bulk crystals of iron-doped lithium niobate using contra-directional two-beam coupling along the c-axis. This instability is attributed to the quasi-breakdown of the uniform component of the photovoltaic field [1], which affects the uniform electric field formed inside the crystal causing a change in the refractive index through the electro-optic effect. A method to eliminate this instability by coating the z-surfaces of the crystal with a transparent conductive coating will be presented. [1] A. Krumins, Z. Chen, and T. Shiosaki, Opt. Comm. 117 (1995) 147-150.

Models And Experiments Of Laminar Diffusion Flames In Non-Uniform Magnetic Fields

NASA Technical Reports Server (NTRS)

Baker, J.; Varagani, R.; Saito, K.

2003-01-01

Non-uniform magnetic fields affect laminar diffusion flames as a result of the paramagnetic and diamagnetic properties of the products and reactants. Paramagnetism is the weak attraction to a magnetic field a material exhibits as a result of permanent magnetic dipole moments in the atoms of the material. Diamagnetism is the weak repulsion to a magnetic field exhibited by a material due to the lack of permanent magnetic dipole moments in the atoms of a material. The forces associated with paramagnetic and diamagnetism are several orders of magnitude less than the forces associated with the more familiar ferromagnetism. A typical example of a paramagnetic gas is oxygen while hydrocarbon fuels and products of combustion are almost always diamagnetic. The fact that magnets can affect flame behavior has been recognized for more than one hundred years. Early speculation was that such behavior was due to the magnetic interaction with the ionized gases associated with a flame. Using a scaling analysis, it was later shown that for laminar diffusion flames the magnetic field/ionized gas interaction was insignificant to the paramagnetic and diamagnetic influences. In this effort, the focus has been on examining laminar diffusion slot flames in the presence of non-uniform upward decreasing magnetic fields produced using permanent magnets. The principal reason for choosing slot flames was mathematical models of such flames show an explicit dependence on gravitational body forces, in the buoyancy-controlled regime, and an applied magnetic field would also impose a body force. In addition, the behavior of such flames was more easily visualized while maintaining the symmetry of the two-dimensional problem whereas it would have been impossible to obtain a symmetric magnetic field around a circular flame and still visually record the flame height and shape along the burner axis. The motivation for choosing permanent magnets to produce the magnetic fields was the assumption that space-related technologies based on the knowledge gained during this investigation would more likely involve permanent magnets as opposed to electromagnets. While no analysis has been done here to quantify the impact that an electric field, associated with an electromagnetic, would have relative to the paramagnetic and diamagnetic interactions, by using permanent magnets this potential effect was completely eliminated and thus paramagnetic and diamagnetic effects were isolated.

Influence of low molecular weight fractions of humic substances on reducing capacities and distribution of redox functional groups

NASA Astrophysics Data System (ADS)

Yang, Zhen; Jiang, Jie

2016-04-01

Humic substances (HS) are redox-active organic compounds and their reducing capacities depend on their molecule structure and distribution of redox functional groups (RFG). During dialysis experiments, bulk humic acids (HA) were separated into low molecular weight fractions (LMWF) and retentate. LMWF account for only 2% of the total organic carbon content of HA molecules, however, their reducing capacities are up to 33 times greater than either those of the bulk HA or retentate. Furthermore, the total reducing capacity of the bulk HA accounts for less than 15% of the total reducing capacity of bulk HA, retentate and LMWF combined, suggesting that releasing of LMWF cannot reduce the number of RFG. RFG are neither in fixed amounts nor in uniformly distributed in bulk HA. LWMF have great fluorescence intensities for humic-like fluorophores (quinone-like functional groups), where quinonoid π-π* transition is responsible for the great reducing capacities of LMWF, and protein-like fluorophores. The 3,500 Da molecules (1.25 nm diameter) of HS could stimulate transformation of redox-active metals or potential pollutants trapped in soil micropores (< 2 nm diameter). A development of relationship between reducing capacity and Ex/Em position provides a possibility to predicate relative reducing capacities of HS in environmental samples.

Broadband terahertz generation of metamaterials

DOEpatents

Luo, Liang; Wang, Jigang; Koschny, Thomas; Wegener, Martin; Soukoulis, Costas M.

2017-06-20

Provided are systems and methods to generate single-cycle THz pulses from a few tens of nanometers thin layer of split ring resonators (SRRs) via optical rectification of femtosecond laser pulses. The emitted THz radiation, with a spectrum ranging from about 0.1 to 4 THz, arises exclusively from pumping the magnetic-dipole resonance of SRRs around 200 THz. This resonant enhancement, together with pump polarization dependence and power scaling of the THz emission, underpins the nonlinearity from optically induced circulating currents in SRRs, with a huge effective nonlinear susceptibility of 0.8.times.10.sup.-16 m.sup.2/V that far exceeds surface nonlinearities of both thin films and bulk organic/inorganic crystals and sheet nonlinearities of non-centrosymmetric materials such as ZnTe.

Bias effects on the electronic spectrum of a molecular bridge

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

Phillips, Heidi; Prociuk, Alexander; Dunietz, Barry D

2011-01-01

In this paper the effect of bias and geometric symmetry breaking on the electronic spectrum of a model molecular system is studied. Geometric symmetry breaking can either enhance the dissipative effect of the bias, where spectral peaks are disabled, or enable new excitations that are absent under zero bias conditions. The spectralanalysis is performed on a simple model system by solving for the electronic response to an instantaneously impulsive perturbation in the dipole approximation. The dynamical response is extracted from the electronic equations of motion as expressed by the Keldysh formalism. This expression provides for the accurate treatment of themore » electronic structure of a bulk-coupled system at the chosen model Hamiltonian electronic structure level.« less

Improvements in the processing of large grain, bulk Y-Ba-Cu-O superconductors via the use of additional liquid phase

NASA Astrophysics Data System (ADS)

Congreve, Jasmin V. J.; Shi, Yunhua; Dennis, Anthony R.; Durrell, John H.; Cardwell, David A.

2017-01-01

A major limitation to the widespread application of Y-Ba-Cu-O (YBCO) bulk superconductors is the relative complexity and low yield of the top seeded melt growth (TSMG) process, by which these materials are commonly fabricated. It has been demonstrated in previous work on the recycling of samples in which the primary growth had failed, that the provision of an additional liquid-rich phase to replenish liquid lost during the failed growth process leads to the reliable growth of relatively high quality recycled samples. In this paper we describe the adaptation of the liquid phase enrichment technique to the primary TSMG fabrication process. We further describe the observed differences between the microstructure and superconducting properties of samples grown with additional liquid-rich phase and control samples grown using a conventional TSMG process. We observe that the introduction of the additional liquid-rich phase leads to the formation of a higher concentration of Y species at the growth front, which leads, in turn, to a more uniform composition at the growth front. Importantly, the increased uniformity at the growth front leads directly to an increased homogeneity in the distribution of the Y-211 inclusions in the superconducting Y-123 phase matrix and to a more uniform Y-123 phase itself. Overall, the provision of an additional liquid-rich phase improves significantly both the reliability of grain growth through the sample thickness and the magnitude and homogeneity of the superconducting properties of these samples compared to those fabricated by a conventional TSMG process.

Constructing Highly Uniform Onion-Ring-like Graphitic Carbon Nitride for Efficient Visible-Light-Driven Photocatalytic Hydrogen Evolution.

PubMed

Cui, Lifeng; Song, Jialing; McGuire, Allister F; Kang, Shifei; Fang, Xueyou; Wang, Junjie; Yin, Chaochuang; Li, Xi; Wang, Yangang; Cui, Bianxiao

2018-06-13

The introduction of microstructure to the metal-free graphitic carbon nitride (g-C 3 N 4 ) photocatalyst holds promise in enhancing its catalytic performance. However, producing such microstructured g-C 3 N 4 remains technically challenging due to a complicated synthetic process and high cost. In this study, we develop a facile and in-air chemical vapor deposition (CVD) method that produces onion-ring-like g-C 3 N 4 microstructures in a simple, reliable, and economical manner. This method involves the use of randomly packed 350 nm SiO 2 microspheres as a hard template and melamine as a CVD precursor for the deposition of a thin layer of g-C 3 N 4 in the narrow space between the SiO 2 microspheres. After dissolution of the microsphere template, the resultant g-C 3 N 4 exhibits uniquely uniform onion-ring-like microstructures. Unlike previously reported g-C 3 N 4 powder morphologies that show various degrees of agglomeration and irregularity, the onion-ring-like g-C 3 N 4 is highly dispersed and uniform. The calculated band gap for onion-ring-like g-C 3 N 4 is 2.58 eV, which is significantly narrower than that of bulk g-C 3 N 4 at 2.70 eV. Experimental characterization and testing suggest that, in comparison with bulk g-C 3 N 4 , onion-ring-like g-C 3 N 4 facilitates charge separation, extends the lifetime of photoinduced carriers, exhibits 5-fold higher photocatalytic hydrogen evolution, and shows great potential for photocatalytic applications.

Is the gas-phase OH+H2CO reaction a source of HCO in interstellar cold dark clouds? A kinetic, dynamic and modelling study

PubMed Central

Ocaña, A. J.; Jiménez, E.; Ballesteros, B.; Canosa, A.; Antiñolo, M.; Albaladejo, J.; Agúndez, M.; Cernicharo, J.; Zanchet, A.; del Mazo, P.; Roncero, O.; Aguado, A.

2018-01-01

Chemical kinetics of neutral-neutral gas-phase reactions at ultralow temperatures is a fascinating research subject with important implications on the chemistry of complex organic molecules in the interstellar medium (T∼10-100K). Scarce kinetic information is currently available for this kind of reactions at T<200 K. In this work we use the CRESU (Cinétique de Réaction en Ecoulement Supersonique Uniforme, which means Reaction Kinetics in a Uniform Supersonic Flow) technique to measure for the first time the rate coefficients (k) of the gas-phase OH+H2CO reaction between 22 and 107 K. k values greatly increase from 2.1×10-11 cm3 s-1 at 107 K to 1.2×10-10 cm3 s-1 at 22 K. This is also confirmed by quasi-classical trajectories (QCT) at collision energies down to 0.1 meV performed using a new full dimension and ab initio potential energy surface, recently developed which generates highly accurate potential and includes long range dipole-dipole interactions. QCT calculations indicate that at low temperatures HCO is the exclusive product for the OH+H2CO reaction. In order to revisit the chemistry of HCO in cold dense clouds, k is reasonably extrapolated from the experimental results at 10K (2.6×10-10 cm3 s-1). The modeled abundances of HCO are in agreement with the observations in cold dark clouds for an evolving time of 105-106 yrs. The different sources of production of HCO are presented and the uncertainties in the chemical networks discussed. This reaction can be expected to be a competitive process in the chemistry of prestellar cores. The present reaction is shown to account for a few percent of the total HCO production rate. Extensions to photodissociation regions and diffuse clouds environments are also commented. PMID:29880977

Is the Gas-phase OH+H2CO Reaction a Source of HCO in Interstellar Cold Dark Clouds? A Kinetic, Dynamic, and Modeling Study

NASA Astrophysics Data System (ADS)

Ocaña, A. J.; Jiménez, E.; Ballesteros, B.; Canosa, A.; Antiñolo, M.; Albaladejo, J.; Agúndez, M.; Cernicharo, J.; Zanchet, A.; del Mazo, P.; Roncero, O.; Aguado, A.

2017-11-01

The chemical kinetics of neutral-neutral gas-phase reactions at ultralow temperatures is a fascinating research subject with important implications on the chemistry of complex organic molecules in the interstellar medium (T ˜ 10-100 K). Scarce kinetic information is currently available for these kinds of reactions at T < 200 K. In this work, we use the Cinétique de Réaction en Ecoulement Supersonique Uniforme (CRESU; Reaction Kinetics in a Uniform Supersonic Flow) technique to measure for the first time the rate coefficients (k) of the gas-phase OH+H2CO reaction between 22 and 107 K. The k values greatly increase from 2.1 × 10-11 cm3 s-1 at 107 K to 1.2 × 10-10 cm3 s-1 at 22 K. This is also confirmed by quasi-classical trajectories (QCT) at collision energies down to 0.1 meV performed using a new full dimension and ab initio potential energy surface that generates highly accurate potential and includes long-range dipole-dipole interactions. QCT calculations indicate that at low temperatures HCO is the exclusive product for the OH+H2CO reaction. In order to revisit the chemistry of HCO in cold dense clouds, k is reasonably extrapolated from the experimental results at 10 K (2.6 × 10-10 cm3 s-1). The modeled abundances of HCO are in agreement with the observations in cold dark clouds for an evolving time of 105-106 yr. The different sources of production of HCO are presented and the uncertainties in the chemical networks are discussed. The present reaction is shown to account for a few percent of the total HCO production rate. This reaction can be expected to be a competitive process in the chemistry of prestellar cores. Extensions to photodissociation regions and diffuse cloud environments are also addressed.

Is the gas-phase OH+H2CO reaction a source of HCO in interstellar cold dark clouds? A kinetic, dynamic and modelling study.

PubMed

Ocaña, A J; Jiménez, E; Ballesteros, B; Canosa, A; Antiñolo, M; Albaladejo, J; Agúndez, M; Cernicharo, J; Zanchet, A; Del Mazo, P; Roncero, O; Aguado, A

2017-11-20

Chemical kinetics of neutral-neutral gas-phase reactions at ultralow temperatures is a fascinating research subject with important implications on the chemistry of complex organic molecules in the interstellar medium (T∼10-100K). Scarce kinetic information is currently available for this kind of reactions at T<200 K. In this work we use the CRESU ( Cinétique de Réaction en Ecoulement Supersonique Uniforme , which means Reaction Kinetics in a Uniform Supersonic Flow) technique to measure for the first time the rate coefficients ( k ) of the gas-phase OH+H 2 CO reaction between 22 and 107 K. k values greatly increase from 2.1×10 -11 cm 3 s -1 at 107 K to 1.2×10 -10 cm 3 s -1 at 22 K. This is also confirmed by quasi-classical trajectories (QCT) at collision energies down to 0.1 meV performed using a new full dimension and ab initio potential energy surface, recently developed which generates highly accurate potential and includes long range dipole-dipole interactions. QCT calculations indicate that at low temperatures HCO is the exclusive product for the OH+H 2 CO reaction. In order to revisit the chemistry of HCO in cold dense clouds, k is reasonably extrapolated from the experimental results at 10K (2.6×10 -10 cm 3 s -1 ). The modeled abundances of HCO are in agreement with the observations in cold dark clouds for an evolving time of 10 5 -10 6 yrs. The different sources of production of HCO are presented and the uncertainties in the chemical networks discussed. This reaction can be expected to be a competitive process in the chemistry of prestellar cores. The present reaction is shown to account for a few percent of the total HCO production rate. Extensions to photodissociation regions and diffuse clouds environments are also commented.

Spontaneous emission in dielectric nanoparticles

NASA Astrophysics Data System (ADS)

Pukhov, K. K.; Basiev, T. T.; Orlovskii, Yu. V.

2008-09-01

An analytical expression is obtained for the radiative-decay rate of an excited optical center in an ellipsoidal dielectric nanoparticle (with sizes much less than the wavelength) surrounded by a dielectric medium. It is found that the ratio of the decay rate A nano of an excited optical center in the nanoparticle to the decay rate A bulk of an excited optical center in the bulk sample is independent of the local-field correction and, therefore, of the adopted local-field model. Moreover, the expression implies that the ratio A nano/ A bulk for oblate and prolate ellipsoids depends strongly on the orientation of the dipole moment of the transition with respect to the ellipsoid axes. In the case of spherical nanoparticles, a formula relating the decay rate A nano and the dielectric parameters of the nanocomposite and the volumetric content c of these particles in the nanocomposite is derived. This formula reduces to a known expression for spherical nanoparticles in the limit c ≪ 1, while the ratio A nano/ A bulk approaches unity as c tends to unity. The analysis shows that the approach used in a number of papers {H. P. Christensen, D. R. Gabbe, and H. P. Jenssen, Phys. Rev. B 25, 1467 (1982); R. S. Meltzer, S. P. Feofilov, B. Tissue, and H. B. Yuan, Phys. Rev. B 60, R14012 (1999); R. I. Zakharchenya, A. A. Kaplyanskii, A. B. Kulinkin, et al., Fiz. Tverd. Tela 45, 2104 (2003) [Phys. Solid State 45, 2209 (2003)]; G. Manoj Kumar, D. Narayana Rao, and G. S. Agarwal, Phys. Rev. Lett. 91, 203903 (2003); Chang-Kui Duan, Michael F. Reid, and Zhongqing Wang, Phys. Lett. A 343, 474 (2005); K. Dolgaleva, R. W. Boyd, and P. W. Milonni, J. Opt. Soc. Am. B 24, 516 (2007)}, for which the formula for A nano is derived merely by substituting the bulk refractive index by the effective refractive index of the nanocomposite must be revised, because the resulting ratio A nano/ A bulk turns out to depend on the local-field model. The formulas for the emission and absorption cross sections σnano for nanoparticles are derived. It is shown that the ratios σnano/σbulk and A nano/ A bulk are not equal in general, which can be used to improve the lasing parameters. The experimentally determined and theoretically evaluated decay times of metastable states of dopant rare-earth ions in crystalline YAG and Y2O3 nanoparticles are compared with the corresponding values for bulk crystals of the same structure.

2D joint inversion of dc and scalar audio-magnetotelluric data in the evaluation of low enthalpy geothermal fields

NASA Astrophysics Data System (ADS)

Monteiro Santos, Fernando A.; Afonso, António R. Andrade; Dupis, André

2007-03-01

Audio-magnetotelluric (AMT) and resistivity (dc) surveys are often used in environmental, hydrological and geothermal evaluation. The separate interpretation of those geophysical data sets assuming two-dimensional models frequently produces ambiguous results. The joint inversion of AMT and dc data is advocated by several authors as an efficient method for reducing the ambiguity inherent to each of those methods. This paper presents results obtained from the two-dimensional joint inversion of dipole-dipole and scalar AMT data acquired in a low enthalpy geothermal field situated in a graben. The joint inverted models show a better definition of shallow and deep structures. The results show that the extension of the benefits using joint inversion depends on the number and spacing of the AMT sites. The models obtained from experimental data display a low resistivity zone (<20 Ω m) in the central part of the graben that was correlated with the geothermal reservoir. The resistivity distribution models were used to estimate the distribution of the porosity in the geothermal reservoir applying two different approaches and considering the clay minerals effect. The results suggest that the maximum porosity of the reservoir is not uniform and might be in the range of 12% to 24%.

Enhanced Piezoelectric Response in HybridPerovskite via Interfacing with Ferroelectric Pb(Zr,Ti)O3

NASA Astrophysics Data System (ADS)

Song, Jingfeng; Xiao, Zhiyong; Chen, Bo; Prockish, Spencer; Chen, Xuegang; Wang, Dong; Huang, Jinsong; Hong, Xia

In this work, we have carried out a comprehensive study of the piezoelectric properties of polycrystalline hybrid perovskite CH3NH3PbI3 (MAPbI3) thin films on two types of substrates. We spin coated 20-100 nm MAPbI3 thin films on gold and ferroelectric Pb(Zr,Ti)O3 (PZT), and characterized their piezoelectric coefficient d33 using piezoresponse force microscopy (PFM). The MAPbI3 thin films on gold showed a d33 of 0.4 pm/V. The epitaxial PZT films ( 50 nm) were deposited on (La,Sr)MnO3/SrTiO3 substrates, with polarization uniformly oriented in the up direction. For MAPbI3 films on PZT, there are regions showing clear PFM phase response, suggesting that MAPbI3 is polar with out-of-plane polarization. The PFM amplitude image of MAPbI3 indicated the existence of both constructive and destructive piezoresponse with that of PZT. The extracted d33is4 pm/V, 10-fold higher than that on gold. The enhanced piezoresponse is attributed to the dipole-dipole interaction between MAPbI3 and PZT. Our study points to an effective route to engineer the piezoelectric properties MAPbI3 for applications such as mechanical actuators and energy harvesting.

Silica Encapsulation of Ferrimagnetic Zinc Ferrite Nanocubes Enabled by Layer-by-layer Polyelectrolyte Deposition

PubMed Central

Park, Jooneon; Porter, Marc D.; Granger, Michael C.

2016-01-01

Stable suspensions of magnetic nanoparticles (MNPs) with large magnetic moment, m, per particle have tremendous utility in a wide range of biological applications. However, due to the strong magnetic coupling interactions often present in these systems, it is challenging to stabilize individual, high moment, ferro- and ferrimagnetic nanoparticles. A novel approach to encapsulate large, i.e., >100 nm, ferrimagnetic zinc ferrite nanocubes (ZFNCs) with silica after an intermediary layer-by-layer polyelectrolyte deposition step is described in this paper. The seed ZFNCs are uniform in shape and size and have high saturation mass magnetic moment (σs ~100 emu/g, m~4×10−13 emu/particle at 150 Oe). For the MNP system described within, successful silica encapsulation and creation of discrete ZFNCs were realized only after depositing polyelectrolyte multilayers composed of alternating polyallylamine and polystyrene sulfonate. Without the intermediary polyelectrolyte layers, magnetic dipole-dipole interactions led to the formation of linearly chained ZFNCs embedded in a silica matrix. Characterization of particle samples was performed by electron microscopy, energy-dispersive X-ray spectroscopy, infrared spectroscopy, powder X-ray diffraction, dynamic light scattering (hydrodynamic size and ζ-potential), and vibrating sample magnetometry. The results of these characterizations, which were performed after each of the synthetic steps, and synthetic details are presented. PMID:25756216

Longitudinal wave function control in single quantum dots with an applied magnetic field

PubMed Central

Cao, Shuo; Tang, Jing; Gao, Yunan; Sun, Yue; Qiu, Kangsheng; Zhao, Yanhui; He, Min; Shi, Jin-An; Gu, Lin; Williams, David A.; Sheng, Weidong; Jin, Kuijuan; Xu, Xiulai

2015-01-01

Controlling single-particle wave functions in single semiconductor quantum dots is in demand to implement solid-state quantum information processing and spintronics. Normally, particle wave functions can be tuned transversely by an perpendicular magnetic field. We report a longitudinal wave function control in single quantum dots with a magnetic field. For a pure InAs quantum dot with a shape of pyramid or truncated pyramid, the hole wave function always occupies the base because of the less confinement at base, which induces a permanent dipole oriented from base to apex. With applying magnetic field along the base-apex direction, the hole wave function shrinks in the base plane. Because of the linear changing of the confinement for hole wave function from base to apex, the center of effective mass moves up during shrinking process. Due to the uniform confine potential for electrons, the center of effective mass of electrons does not move much, which results in a permanent dipole moment change and an inverted electron-hole alignment along the magnetic field direction. Manipulating the wave function longitudinally not only provides an alternative way to control the charge distribution with magnetic field but also a new method to tune electron-hole interaction in single quantum dots. PMID:25624018

Radiation from violently accelerated bodies

NASA Astrophysics Data System (ADS)

Gerlach, Ulrich H.

2001-11-01

A determination is made of the radiation emitted by a linearly uniformly accelerated uncharged dipole transmitter. It is found that, first of all, the radiation rate is given by the familiar Larmor formula, but it is augmented by an amount which becomes dominant for sufficiently high acceleration. For an accelerated dipole oscillator, the criterion is that the center of mass motion become relativistic within one oscillation period. The augmented formula and the measurements which it summarizes presuppose an expanding inertial observation frame. A static inertial reference frame will not do. Secondly, it is found that the radiation measured in the expanding inertial frame is received with 100% fidelity. There is no blueshift or redshift due to the accelerative motion of the transmitter. Finally, it is found that a pair of coherently radiating oscillators accelerating (into opposite directions) in their respective causally disjoint Rindler-coordinatized sectors produces an interference pattern in the expanding inertial frame. Like the pattern of a Young double slit interferometer, this Rindler interferometer pattern has a fringe spacing which is inversely proportional to the proper separation and the proper frequency of the accelerated sources. The interferometer, as well as the augmented Larmor formula, provide a unifying perspective. It joins adjacent Rindler-coordinatized neighborhoods into a single spacetime arena for scattering and radiation from accelerated bodies.

MOLSIM: A modular molecular simulation software

PubMed Central

Jurij, Reščič

2015-01-01

The modular software MOLSIM for all‐atom molecular and coarse‐grained simulations is presented with focus on the underlying concepts used. The software possesses four unique features: (1) it is an integrated software for molecular dynamic, Monte Carlo, and Brownian dynamics simulations; (2) simulated objects are constructed in a hierarchical fashion representing atoms, rigid molecules and colloids, flexible chains, hierarchical polymers, and cross‐linked networks; (3) long‐range interactions involving charges, dipoles and/or anisotropic dipole polarizabilities are handled either with the standard Ewald sum, the smooth particle mesh Ewald sum, or the reaction‐field technique; (4) statistical uncertainties are provided for all calculated observables. In addition, MOLSIM supports various statistical ensembles, and several types of simulation cells and boundary conditions are available. Intermolecular interactions comprise tabulated pairwise potentials for speed and uniformity and many‐body interactions involve anisotropic polarizabilities. Intramolecular interactions include bond, angle, and crosslink potentials. A very large set of analyses of static and dynamic properties is provided. The capability of MOLSIM can be extended by user‐providing routines controlling, for example, start conditions, intermolecular potentials, and analyses. An extensive set of case studies in the field of soft matter is presented covering colloids, polymers, and crosslinked networks. © 2015 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc. PMID:25994597

Longitudinal wave function control in single quantum dots with an applied magnetic field.

PubMed

Cao, Shuo; Tang, Jing; Gao, Yunan; Sun, Yue; Qiu, Kangsheng; Zhao, Yanhui; He, Min; Shi, Jin-An; Gu, Lin; Williams, David A; Sheng, Weidong; Jin, Kuijuan; Xu, Xiulai

2015-01-27

Controlling single-particle wave functions in single semiconductor quantum dots is in demand to implement solid-state quantum information processing and spintronics. Normally, particle wave functions can be tuned transversely by an perpendicular magnetic field. We report a longitudinal wave function control in single quantum dots with a magnetic field. For a pure InAs quantum dot with a shape of pyramid or truncated pyramid, the hole wave function always occupies the base because of the less confinement at base, which induces a permanent dipole oriented from base to apex. With applying magnetic field along the base-apex direction, the hole wave function shrinks in the base plane. Because of the linear changing of the confinement for hole wave function from base to apex, the center of effective mass moves up during shrinking process. Due to the uniform confine potential for electrons, the center of effective mass of electrons does not move much, which results in a permanent dipole moment change and an inverted electron-hole alignment along the magnetic field direction. Manipulating the wave function longitudinally not only provides an alternative way to control the charge distribution with magnetic field but also a new method to tune electron-hole interaction in single quantum dots.

Cooling rates of group IVA iron meteorites

NASA Technical Reports Server (NTRS)

Willis, J.; Wasson, J. T.

1978-01-01

Cooling rates of six group IVA iron meteorites were estimated by a taenite central Ni concentration-taenite half-width method. Calculated cooling rates range from 13 to 25 C/Myr, with an average of 20 C/Myr. No correlation between cooling rate and bulk Ni content is observed, and the data appear to be consistent with a uniform cooling rate as expected from an igneous core origin. This result differs from previous studies reporting a wide range in cooling rates that were strongly correlated with bulk Ni content. The differences result mainly from differences in the phase diagram and the selected diffusion coefficients. Cooling rates inferred from taenite Ni concentrations at the interface with kamacite are consistent with those based on taenite central Ni content.

Catalytic performance of Mn 3O 4 and Co 3O 4 nanocrystals prepared by sonochemical method in epoxidation of styrene and cyclooctene

NASA Astrophysics Data System (ADS)

Askarinejad, Azadeh; Bagherzadeh, Mojtaba; Morsali, Ali

2010-09-01

A simple sonochemical method was developed to synthesis uniform sphere-like Co 3O 4 and Mn 3O 4 nanocrystals. Epoxidation of styrene and cyclooctene by anhydrous tert-butyl hydroperoxide over the prepared Co 3O 4 and Mn 3O 4 nanocatalysts was investigated. The results of conversion activity were compared with bulk Co 3O 4 and Mn 3O 4. Under optimized reaction conditions, the nanocatalysts showed a superior catalytic performance as compared to the bulk catalysts. Powder X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and BET surface area, were used to characterize and investigate the nanocatalysts.

Coupled-resonator waveguide perfect transport single-photon by interatomic dipole-dipole interaction

NASA Astrophysics Data System (ADS)

Yan, Guo-an; Lu, Hua; Qiao, Hao-xue; Chen, Ai-xi; Wu, Wan-qing

2018-06-01

We theoretically investigate single-photon coherent transport in a one-dimensional coupled-resonator waveguide coupled to two quantum emitters with dipole-dipole interactions. The numerical simulations demonstrate that the transmission spectrum of the photon depends on the two atoms dipole-dipole interactions and the photon-atom couplings. The dipole-dipole interactions may change the dip positions in the spectra and the coupling strength may broaden the frequency band width in the transmission spectrum. We further demonstrate that the typical transmission spectra split into two dips due to the dipole-dipole interactions. This phenomenon may be used to manufacture new quantum waveguide devices.

Sintering Process and Mechanical Property of MWCNTs/HDPE Bulk Composite.

PubMed

Ming-Wen, Wang; Tze-Chi, Hsu; Jie-Ren, Zheng

2009-08-01

Studies have proved that increasing polymer matrices by carbon nanotubes to form structural reinforcement and electrical conductivity have significantly improved mechanical and electrical properties at very low carbon nanotubes loading. In other words, increasing polymer matrices by carbon nanotubes to form structural reinforcement can reduce friction coefficient and enhance anti-wear property. However, producing traditional MWCNTs in polymeric materix is an extremely complicated process. Using melt-mixing process or in situ polymerization leads to better dispersion effect on composite materials. In this study, therefore, to simplify MWCNTs /HDPE composite process and increase dispersion, powder was used directly to replace pellet to mix and sinter with MWCNTs. The composite bulks with 0, 0.5, 1, 2 and 4% nanotube content by weight was analyzed under SEM to observe nanotubes dispersion. At this rate, a MWCNTs/HDPE composite bulk with uniformly dispersed MWCNTs was achieved, and through the wear bench (Pin-on-Disk), the wear experiment has accomplished. Accordingly, the result suggests the sintered MWCNTs/HDPE composites amplify the hardness and wear-resist property.

Size dependent compressibility of nano-ceria: Minimum near 33 nm

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

Rodenbough, Philip P.; Chemistry Department, Columbia University, New York, New York 10027; Song, Junhua

2015-04-20

We report the crystallite-size-dependency of the compressibility of nanoceria under hydrostatic pressure for a wide variety of crystallite diameters and comment on the size-based trends indicating an extremum near 33 nm. Uniform nano-crystals of ceria were synthesized by basic precipitation from cerium (III) nitrate. Size-control was achieved by adjusting mixing time and, for larger particles, a subsequent annealing temperature. The nano-crystals were characterized by transmission electron microscopy and standard ambient x-ray diffraction (XRD). Compressibility, or its reciprocal, bulk modulus, was measured with high-pressure XRD at LBL-ALS, using helium, neon, or argon as the pressure-transmitting medium for all samples. As crystallite sizemore » decreased below 100 nm, the bulk modulus first increased, and then decreased, achieving a maximum near a crystallite diameter of 33 nm. We review earlier work and examine several possible explanations for the peaking of bulk modulus at an intermediate crystallite size.« less

Laboratory studies of magnetic anomaly effects on electric potential distributions near the lunar surface

NASA Astrophysics Data System (ADS)

Wang, X.; Robertson, S. H.; Horanyi, M.; NASA Lunar Science Institute: Colorado CenterLunar Dust; Atmospheric Studies

2011-12-01

The Moon does not have a global magnetic field, unlike the Earth, rather it has strong crustal magnetic anomalies. Data from Lunar Prospector and SELENE (Kaguya) observed strong interactions between the solar wind and these localized magnetic fields. In the laboratory, a configuration of a horseshoe permanent magnet below an insulating surface is used as an analogue of lunar crustal magnetic anomalies. Plasmas are created above the surface by a hot filament discharge. Potential distributions are measured with an emissive probe and show complex spatial structures. In our experiments, electrons are magnetized with gyro-radii r smaller than the distance from the surface d (r < d) and ions are un-magnetized with r > d. Unlike negative charging on surfaces with no magnetic fields, the surface potential at the center of the magnetic dipole is found close to the plasma bulk potential. The surface charging is dominated by the cold unmagnetized ions, while the electrons are shielded away. A potential minimum is formed between the center of the surface and the bulk plasma, most likely caused by the trapped electrons between the two magnetic mirrors at the cusps. The value of the potential minimum with respect to the bulk plasma potential decreases with increasing plasma density and neutral pressure, indicating that the mirror-trapped electrons are scattered by electron-electron and electron-neutral collisions. The potential at the two cusps are found to be more negative due to the electrons following the magnetic field lines onto the surface.

Permanent magnet with MgB{sub 2} bulk superconductor

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

Yamamoto, Akiyasu, E-mail: yamamoto@appchem.t.u-tokyo.ac.jp; JST-PRESTO, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012; Ishihara, Atsushi

2014-07-21

Superconductors with persistent zero-resistance currents serve as permanent magnets for high-field applications requiring a strong and stable magnetic field, such as magnetic resonance imaging. The recent global helium shortage has quickened research into high-temperature superconductors (HTSs)—materials that can be used without conventional liquid-helium cooling to 4.2 K. Herein, we demonstrate that 40-K-class metallic HTS magnesium diboride (MgB{sub 2}) makes an excellent permanent bulk magnet, maintaining 3 T at 20 K for 1 week with an extremely high stability (<0.1 ppm/h). The magnetic field trapped in this magnet is uniformly distributed, as for single-crystalline neodymium-iron-boron. Magnetic hysteresis loop of the MgB{sub 2} permanent bulkmore » magnet was determined. Because MgB{sub 2} is a simple-binary-line compound that does not contain rare-earth metals, polycrystalline bulk material can be industrially fabricated at low cost and with high yield to serve as strong magnets that are compatible with conventional compact cryocoolers, making MgB{sub 2} bulks promising for the next generation of Tesla-class permanent-magnet applications.« less

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

Shipra, Fnu; Idrobo Tapia, Juan Carlos; Sefat, Athena Safa

This study provides an account of the bulk preparation of TlBa 2Ca 2Cu 3O 9-δ (Tl-1223) superconductor at ambient pressure, and the Tc features under thermal-annealing conditions. The ‘as-prepared’ Tl-1223 (Tc =106 K) presents a significantly higher T c = 125 K after annealing the polycrystalline material in either flowing Ar+4% H 2, or N 2 gases. In order to understand the fundamental reasons for a particular Tc, we refined the average bulk structures using powder X-ray diffraction data. Although Ar+4%H2 annealed Tl- 1223 shows an increased ‘c’ lattice parameter, it shrinks by 0.03% (approximately unchanged) upon N2 anneal. Duemore » to such indeterminate conclusions on the average structural changes, local structures were investigated at using aberration-corrected scanning-transmission electron microscopy technique. Similar compositional changes in the atomic arrangements of both annealed-samples of Tl-1223 were detected in which the plane containing Ca atomic layer gives a non-uniform contrast, due to substitution of some heavier Tl. In this report, extensive bulk properties are summarized through temperature-dependent resistivity, and shielding and Meissner fractions of magnetic susceptibility results; the bulk and local structures are investigated to correlate to properties.« less

Porous substrates filled with nanomaterials

DOEpatents

Worsley, Marcus A.; Baumann, Theodore F.; Satcher, Jr., Joe H.; Stadermann, Michael

2018-04-03

A composition comprising: at least one porous carbon monolith, such as a carbon aerogel, comprising internal pores, and at least one nanomaterial, such as carbon nanotubes, disposed uniformly throughout the internal pores. The nanomaterial can be disposed in the middle of the monolith. In addition, a method for making a monolithic solid with both high surface area and good bulk electrical conductivity is provided. A porous substrate having a thickness of 100 microns or more and comprising macropores throughout its thickness is prepared. At least one catalyst is deposited inside the porous substrate. Subsequently, chemical vapor deposition is used to uniformly deposit a nanomaterial in the macropores throughout the thickness of the porous substrate. Applications include electrical energy storage, such as batteries and capacitors, and hydrogen storage.

Porous substrates filled with nanomaterials

DOEpatents

Worsley, Marcus A.; Baumann, Theodore F.; Satcher, Jr., Joe H.; Stadermann, Michael

2014-08-19

A composition comprising: at least one porous carbon monolith, such as a carbon aerogel, comprising internal pores, and at least one nanomaterial, such as carbon nanotubes, disposed uniformly throughout the internal pores. The nanomaterial can be disposed in the middle of the monolith. In addition, a method for making a monolithic solid with both high surface area and good bulk electrical conductivity is provided. A porous substrate having a thickness of 100 microns or more and comprising macropores throughout its thickness is prepared. At least one catalyst is deposited inside the porous substrate. Subsequently, chemical vapor deposition is used to uniformly deposit a nanomaterial in the macropores throughout the thickness of the porous substrate. Applications include electrical energy storage, such as batteries and capacitors, and hydrogen storage.

Enhanced and tunable electric dipole-dipole interactions near a planar metal film

NASA Astrophysics Data System (ADS)

Zhou, Lei-Ming; Yao, Pei-Jun; Zhao, Nan; Sun, Fang-Wen

2017-08-01

We investigate the enhanced electric dipole-dipole interaction of surface plasmon polaritons (SPPs) supported by a planar metal film waveguide. By taking two nitrogen-vacancy (NV) center electric dipoles in diamond as an example, both the coupling strength and collective relaxation of two dipoles are studied with the numerical Green Function method. Compared to two-dipole coupling on a planar surface, metal film provides stronger and tunable coupling coefficients. Enhancement of the interaction between coupled NV center dipoles could have applications in both quantum information and energy transfer investigation. Our investigation provides systematic results for experimental applications based on a dipole-dipole interaction mediated with SPPs on a planar metal film.

An analytical computation of magnetic field generated from a cylinder ferromagnet

NASA Astrophysics Data System (ADS)

Taniguchi, Tomohiro

2018-04-01

An analytical formulation to compute a magnetic field generated from an uniformly magnetized cylinder ferromagnet is developed. Exact solutions of the magnetic field generated from the magnetization pointing in an arbitrary direction are derived, which are applicable both inside and outside the ferromagnet. The validities of the present formulas are confirmed by comparing them with demagnetization coefficients estimated in earlier works. The results will be useful for designing practical applications, such as high-density magnetic recording and microwave generators, where nanostructured ferromagnets are coupled to each other through the dipole interactions and show cooperative phenomena such as synchronization. As an example, the magnetic field generated from a spin torque oscillator for magnetic recording based on microwave assisted magnetization reversal is studied.

Hybrid Magnetic Shielding

NASA Astrophysics Data System (ADS)

Royal, Kevin; Crawford, Christopher; Mullins, Andrew; Porter, Greg; Blanton, Hunter; Johnstone, Connor; Kistler, Ben; Olivera, Daniela

2017-09-01

The search for the electric dipole moment of the neutron requires the ambient magnetic field to be on the pT scale which is accomplished with large magnetic shielding rooms. These rooms are fitted with large mu-metal sheets to allow for passive cancellation of background magnetic fields. Active shielding technology cannot uniformly cancel background magnetic fields. These issues can be remedied by combining the methods into a hybrid system. The design used is composed of panels that have an active layer of cancellation between two sheets of mu-metal. The panels form a cube and draw in magnetic fields perpendicular to the surface which can then be reduced using active shielding. This work is supported by the Department of Energy under Contract DE-SC0008107.

Transfer of dipolar gas through the discrete localized mode.

PubMed

Bai, Xiao-Dong; Zhang, Ai-Xia; Xue, Ju-Kui

2013-12-01

By considering the discrete nonlinear Schrödinger model with dipole-dipole interactions for dipolar condensate, the existence, the types, the stability, and the dynamics of the localized modes in a nonlinear lattice are discussed. It is found that the contact interaction and the dipole-dipole interactions play important roles in determining the existence, the type, and the stability of the localized modes. Because of the coupled effects of the contact interaction and the dipole-dipole interactions, rich localized modes and their stability nature can exist: when the contact interaction is larger and the dipole-dipole interactions is smaller, a discrete bright breather occurs. In this case, while the on-site interaction can stabilize the discrete breather, the dipole-dipole interactions will destabilize the discrete breather; when both the contact interaction and the dipole-dipole interactions are larger, a discrete kink appears. In this case, both the on-site interaction and the dipole-dipole interactions can stabilize the discrete kink, but the discrete kink is more unstable than the ordinary discrete breather. The predicted results provide a deep insight into the dynamics of blocking, filtering, and transfer of the norm in nonlinear lattices for dipolar condensates.

Development of property-transfer models for estimating the hydraulic properties of deep sediments at the Idaho National Engineering and Environmental Laboratory, Idaho

USGS Publications Warehouse

Winfield, Kari A.

2005-01-01

Because characterizing the unsaturated hydraulic properties of sediments over large areas or depths is costly and time consuming, development of models that predict these properties from more easily measured bulk-physical properties is desirable. At the Idaho National Engineering and Environmental Laboratory, the unsaturated zone is composed of thick basalt flow sequences interbedded with thinner sedimentary layers. Determining the unsaturated hydraulic properties of sedimentary layers is one step in understanding water flow and solute transport processes through this complex unsaturated system. Multiple linear regression was used to construct simple property-transfer models for estimating the water-retention curve and saturated hydraulic conductivity of deep sediments at the Idaho National Engineering and Environmental Laboratory. The regression models were developed from 109 core sample subsets with laboratory measurements of hydraulic and bulk-physical properties. The core samples were collected at depths of 9 to 175 meters at two facilities within the southwestern portion of the Idaho National Engineering and Environmental Laboratory-the Radioactive Waste Management Complex, and the Vadose Zone Research Park southwest of the Idaho Nuclear Technology and Engineering Center. Four regression models were developed using bulk-physical property measurements (bulk density, particle density, and particle size) as the potential explanatory variables. Three representations of the particle-size distribution were compared: (1) textural-class percentages (gravel, sand, silt, and clay), (2) geometric statistics (mean and standard deviation), and (3) graphical statistics (median and uniformity coefficient). The four response variables, estimated from linear combinations of the bulk-physical properties, included saturated hydraulic conductivity and three parameters that define the water-retention curve. For each core sample,values of each water-retention parameter were estimated from the appropriate regression equation and used to calculate an estimated water-retention curve. The degree to which the estimated curve approximated the measured curve was quantified using a goodness-of-fit indicator, the root-mean-square error. Comparison of the root-mean-square-error distributions for each alternative particle-size model showed that the estimated water-retention curves were insensitive to the way the particle-size distribution was represented. Bulk density, the median particle diameter, and the uniformity coefficient were chosen as input parameters for the final models. The property-transfer models developed in this study allow easy determination of hydraulic properties without need for their direct measurement. Additionally, the models provide the basis for development of theoretical models that rely on physical relationships between the pore-size distribution and the bulk-physical properties of the media. With this adaptation, the property-transfer models should have greater application throughout the Idaho National Engineering and Environmental Laboratory and other geographic locations.

Uniform bulk material processing using multimode microwave radiation

DOEpatents

Varma, Ravi; Vaughn, Worth E.

2000-01-01

An apparatus for generating uniform heating in material contained in a cylindrical vessel is described. TE.sub.10 -mode microwave radiation is coupled into a cylindrical microwave transition such that microwave radiation having TE.sub.11 -, TE.sub.01 - and TM.sub.01 -cylindrical modes is excited therein. By adjusting the intensities of these modes, substantially uniform heating of materials contained in a cylindrical drum which is coupled to the microwave transition through a rotatable choke can be achieved. The use of a poor microwave absorbing insulating cylindrical insert, such as aluminum oxide, for separating the material in the container from the container walls and for providing a volume through which air is circulated is expected to maintain the container walls at room temperature. The use of layer of highly microwave absorbing material, such as SiC, inside of the insulating insert and facing the material to be heated is calculated to improve the heating pattern of the present apparatus.

Soil resistivity over root area ratio, soil humidity, and bulk density: laboratory tests

NASA Astrophysics Data System (ADS)

Guastini, Enrico; Giambastiani, Yamuna; Preti, Federico

2015-04-01

Knowledge about root system distribution covers an important role in slope shallow stability stud-ies, as this factor grants an increase in soil geotechnical properties (soil cohesion and friction an-gle) and determines a different underground water circulation. Published studies (Amato et al., 2008 and 2011; Censini et al., 2014) about in situ application of ERT (Electrical Resistivity Tomo-graphy) analysis show how the root presence affects the measurable soil resistivity values, confirm-ing the suitability to investigate the application of such technique, aiming to estimate root density in soil with an indirect and non-invasive method. This study, laboratory-based and led on reconstructed samples in controlled condition, aim to find a correlation between the resistivity variations and the various factors that can affect them (humid-ity, bulk density, presence of foreign bodies, temperature). The tests involved a clay-loam soil (USDA classification) taken from Quaracchi (Florence, Italy), in an experimental fir-wood (Picea abies) owned by the Department of Agricultural, Food and For-estry System, Florence University, a previously chosen site for field ERT applications. The row ma-terial has been dried out in a lab stove, grounded and sieved at 2 mm, and then placed in a lexan box (30 x 20 x 20 cm) without compaction. Inside the sample have been inserted 3 series of 4 iron electrodes, insulated along the shaft and with the conductive end placed at three different depth: 2 cm from surface, in the middle of the sample and in contact with the bottom of the box; resistivity measures are conducted on the three levels using a Syscal R2 with electrodes connected in a dipole-dipole configuration. Root presence is simulated inserting bamboo spits (simple geometry, replicable "R.A.R.") in varying number from 0 to 16 in every area between two contiguous electrodes. The tests are repeated in time, monitoring the natural variations in humidity (evapotranspiration) and bulk density (compac-tion). The first results show an increase of resistivity with the decrease of mean humidity that follows a potential trend; data measured in the spitted sample can be statistically considered as a different population in respect to the data from the bare earth sample, giving credit to the hypothesis that the wooden spit presence could be indirectly quantified from geoelectric data. Acknowledgements Italian Research Project of Relevant Interest (PRIN2010-2011), prot. 20104ALME4, National network for monitoring, modeling, and sustainable management of erosion processes in agricultural land and hilly-mountainous area

Iron and aluminum soil/paleosol extractions as age/environment indicators: Some examples from a catchment in southern Ontario, Canada

NASA Astrophysics Data System (ADS)

Mahaney, William C.; Hancock, Ronald G. V.; Somelar, Peeter; Milan, Alison

2016-10-01

Various chemical extractions of Fe and Al from bulk soil samples, including Na-pyrophosphate (Fep, Alp), acid ammonium oxalate (Feo, Alo), and Na-dithionite (Fed, Ald), have been used over the last half century to distinguish soil ages over varying time frames from 102 to 106 years and even as far into antiquity as the Oligocene (30 × 106) years. Problems with mineral/chemical uniformity of sediments, free drainage of open system profiles, and variable climate over long time frames have produced problems and uncertainties as to just what each extraction removes from the bulk material analyzed. Some problems have been resolved by the work of Parfitt and Childs (1988); but some persist, especially with respect to the solubility of some extractant forms and the actual composition of others, particularly Alp, Alo, and Ald. A recent test of soils and paleosols in a fluvial chronosequence in southern Ontario illustrates the soil-paleosol evolutionary time trend over a period of ~ 11 ky, essentially post-Iroquois time in the Ontario basin (Jackson et al., 2000). This work highlights the importance of isolated, free draining weathering systems, mineral uniformity, and new relationships between secondary forms of Fed and Ald, the latter previously considered of little importance in age relationship quests.

Synthesis of Non-uniformly Pr-doped SrTiO3 Ceramics and Their Thermoelectric Properties

PubMed Central

Mehdizadeh Dehkordi, Arash; Bhattacharya, Sriparna; Darroudi, Taghi; Zeng, Xiaoyu; Alshareef, Husam N.; Tritt, Terry M.

2015-01-01

We demonstrate a novel synthesis strategy for the preparation of Pr-doped SrTiO3 ceramics via a combination of solid state reaction and spark plasma sintering techniques. Polycrystalline ceramics possessing a unique morphology can be achieved by optimizing the process parameters, particularly spark plasma sintering heating rate. The phase and morphology of the synthesized ceramics were investigated in detail using X-ray diffraction, scanning electron microcopy and energy-dispersive X-ray spectroscopy. It was observed that the grains of these bulk Pr-doped SrTiO3 ceramics were enhanced with Pr-rich grain boundaries. Electronic and thermal transport properties were also investigated as a function of temperature and doping concentration. Such a microstructure was found to give rise to improved thermoelectric properties. Specifically, it resulted in a significant improvement in carrier mobility and the thermoelectric power factor. Simultaneously, it also led to a marked reduction in the thermal conductivity. As a result, a significant improvement (> 30%) in the thermoelectric figure of merit was achieved for the whole temperature range over all previously reported maximum values for SrTiO3-based ceramics. This synthesis demonstrates the steps for the preparation of bulk polycrystalline ceramics of non-uniformly Pr-doped SrTiO3. PMID:26327483

Synthesis of Non-uniformly Pr-doped SrTiO3 Ceramics and Their Thermoelectric Properties.

PubMed

Mehdizadeh Dehkordi, Arash; Bhattacharya, Sriparna; Darroudi, Taghi; Zeng, Xiaoyu; Alshareef, Husam N; Tritt, Terry M

2015-08-15

We demonstrate a novel synthesis strategy for the preparation of Pr-doped SrTiO3 ceramics via a combination of solid state reaction and spark plasma sintering techniques. Polycrystalline ceramics possessing a unique morphology can be achieved by optimizing the process parameters, particularly spark plasma sintering heating rate. The phase and morphology of the synthesized ceramics were investigated in detail using X-ray diffraction, scanning electron microcopy and energy-dispersive X-ray spectroscopy. It was observed that the grains of these bulk Pr-doped SrTiO3 ceramics were enhanced with Pr-rich grain boundaries. Electronic and thermal transport properties were also investigated as a function of temperature and doping concentration. Such a microstructure was found to give rise to improved thermoelectric properties. Specifically, it resulted in a significant improvement in carrier mobility and the thermoelectric power factor. Simultaneously, it also led to a marked reduction in the thermal conductivity. As a result, a significant improvement (> 30%) in the thermoelectric figure of merit was achieved for the whole temperature range over all previously reported maximum values for SrTiO3-based ceramics. This synthesis demonstrates the steps for the preparation of bulk polycrystalline ceramics of non-uniformly Pr-doped SrTiO3.

Mapping the Dark Matter with 6dFGS

NASA Astrophysics Data System (ADS)

Mould, Jeremy R.; Magoulas, C.; Springob, C.; Colless, M.; Jones, H.; Lucey, J.; Erdogdu, P.; Campbell, L.

2012-05-01

Fundamental plane distances from the 6dF Galaxy Redshift Survey are fitted to a model of the density field within 200/h Mpc. Likelihood is maximized for a single value of the local galaxy density, as expected in linear theory for the relation between overdensity and peculiar velocity. The dipole of the inferred southern hemisphere early type galaxy peculiar velocities is calculated within 150/h Mpc, before and after correction for the individual galaxy velocities predicted by the model. The former agrees with that obtained by other peculiar velocity studies (e.g. SFI++). The latter is only of order 150 km/sec and consistent with the expectations of the standard cosmological model and recent forecasts of the cosmic mach number, which show linearly declining bulk flow with increasing scale.

Investigation on the structure of liquid N-methylformamide-dimethylsulfoxide mixtures

NASA Astrophysics Data System (ADS)

Cordeiro, João M. M.; Soper, Alan K.

2011-03-01

The structures of liquid mixtures of N-methylformamide (NMF) and dimethyl sulfoxide (DMSO) at two concentrations (80% and 50% NMF) are investigated using a combination of neutron diffraction augmented with isotopic substitution and empirical potential structure refinement simulations. The results indicate that the NMF and DMSO molecules are hydrogen-bonded to one another with a preference for NMF-DMSO hydrogen bonding, compared to the NMF-NMF ones. The liquid is orientationally structured as a consequence of these hydrogen bonds between molecules. NMF-DMSO dimers are very stable species in the bulk of the mixture. The structure of the dimers is such that the angle between the molecular dipole moments is around 60°. The NMF molecules are well solvated in DMSO with potential implications for peptides solvation in this solvent.

Strontium ruthenate-anatase titanium dioxide heterojunctions from first-principles: Electronic structure, spin, and interface dipoles

NASA Astrophysics Data System (ADS)

Ferdous, Naheed; Ertekin, Elif

2016-07-01

The epitaxial integration of functional oxides with wide band gap semiconductors offers the possibility of new material systems for electronics and energy conversion applications. We use first principles to consider an epitaxial interface between the correlated metal oxide SrRuO3 and the wide band gap semiconductor TiO2, and assess energy level alignment, interfacial chemistry, and interfacial dipole formation. Due to the ferromagnetic, half-metallic character of SrRuO3, according to which only one spin is present at the Fermi level, we demonstrate the existence of a spin dependent band alignment across the interface. For two different terminations of SrRuO3, the interface is found to be rectifying with a Schottky barrier of ≈1.3-1.6 eV, in good agreement with experiment. In the minority spin, SrRuO3 exhibits a Schottky barrier alignment with TiO2 and our calculated Schottky barrier height is in excellent agreement with previous experimental measurements. For majority spin carriers, we find that SrRuO3 recovers its exchange splitting gap and bulk-like properties within a few monolayers of the interface. These results demonstrate a possible approach to achieve spin-dependent transport across a heteroepitaxial interface between a functional oxide material and a conventional wide band gap semiconductor.

Microstructure and trapped field of YBCO bulk single-grain superconductors prepared by interior seeding

NASA Astrophysics Data System (ADS)

Radusovska, M.; Diko, P.; Piovarci, S.; Park, S.-D.; Jun, B.-H.; Kim, C.-J.

2017-10-01

The microstructural analyses of YBCO bulk single-grain superconductors grown by interior seeding with taller and shorter upper pellets have shown that a suitable upper pellet height can lower the porosity in the upper part of the sample, produce a more appropriate distribution of pinning centres in the form of Y-211 particles and suppress subgrain formation with a higher crystal misalignment in the c-growth sector (c-GS), which can lead to a higher measured trapped magnetic field and a more uniform cone of the trapped-field profile. The observed bulging of the sample surface at the c-GS can be explained by the edge melt distribution model, which shows that macroscopic mass transport to the growth sector occurs with higher growth rates.

Compositional analysis of dilute nitride doped indium antimonide bulk crystal by VDS technique

NASA Astrophysics Data System (ADS)

Deshpande, Manisha; Maske, Dilip; Choudhari, Rashmi; Arora, Brij Mohan; Gadkari, Dattatray

2016-05-01

Dilute nitrides are suitable materials for fabrication of devices in detection of long wavelength infrared region. Dilute nitride doped Indium antimonide bulk crystals were grown using vertical directional solidification technique. The compositional characteristics of the crystals were carried out using EDS. The analysis was simulated and compared with observations using DTSA II software for accuracy. The ingots have uniform composition of Indium and Antimony. The actual nitrogen composition measured using EDS was 0.136% for doped nitrogen composition 0.1% except near conical end where it was 0.1%. The study of bonding between nitrogen, Indium and antimony was carried out using SIMS. The analysis shows strong presence of In-N bonding along with In-Sb bonds which indicates nitrogen has replaced antimony atoms in crystal lattice.

Self-consistent elastic continuum theory of degenerate, equilibrium aperiodic solids.

PubMed

Bevzenko, Dmytro; Lubchenko, Vassiliy

2014-11-07

We show that the vibrational response of a glassy liquid at finite frequencies can be described by continuum mechanics despite the vast degeneracy of the vibrational ground state; standard continuum elasticity assumes a unique ground state. The effective elastic constants are determined by the bare elastic constants of individual free energy minima of the liquid, the magnitude of built-in stress, and temperature, analogously to how the dielectric response of a polar liquid is determined by the dipole moment of the constituent molecules and temperature. In contrast with the dielectric constant--which is enhanced by adding polar molecules to the system--the elastic constants are down-renormalized by the relaxation of the built-in stress. The renormalization flow of the elastic constants has three fixed points, two of which are trivial and correspond to the uniform liquid state and an infinitely compressible solid, respectively. There is also a nontrivial fixed point at the Poisson ratio equal to 1/5, which corresponds to an isospin-like degeneracy between shear and uniform deformation. The present description predicts a discontinuous jump in the (finite frequency) shear modulus at the crossover from collisional to activated transport, consistent with the random first order transition theory.

Coherent Light induced in Optical Fiber by a Charged Particle

NASA Astrophysics Data System (ADS)

Artru, Xavier; Ray, Cédric

2016-07-01

Coherent light production in an optical fiber by a charged particle (named PIGL, for particle-induced guided, light) is reviewed. From the microscopic point of view, light is emitted by transient electric dipoles induced in the fiber medium by the Coulomb field of the particle. The phenomenon can also considered as the capture of virtual photons of the particle field by the fiber. Two types of captures are distinguished. Type-I takes place in a uniform part of the fiber; then the photon keeps its longitudinal momentum pz . Type-II takes place near an end or in a non-uniform part of the fiber; then pz is not conserved. Type-I PIGL is not affected by background lights external to the fiber. At grazing incidence it becomes nearly monochromatic. Its circular polarization depends on the angular momentum of the particle about the fiber and on the relative velocity between the particle and the guided wave. A general formula for the yield of Type-II radiation, based on the reciprocity theorem, is proposed. This radiation can be assisted by metallic objects stuck to the fiber, via plasmon excitation. A periodic structure leads to a guided Smith-Purcell radiation. Applications of PIGL in beam diagnostics are considered.

Dipole oscillator strengths, dipole properties and dispersion energies for SiF4

NASA Astrophysics Data System (ADS)

Kumar, Ashok; Kumar, Mukesh; Meath, William J.

2003-01-01

A recommended isotropic dipole oscillator strength distribution (DOSD) has been constructed for the silicon tetrafluoride (SiF4) molecule through the use of quantum mechanical constraint techniques and experimental dipole oscillator strength data. The constraints are furnished by experimental molar refractivity data and the Thomas-Reiche-Kuhn sum rule. The DOSD is used to evaluate a variety of isotropic dipole oscillator strength sums, logarithmic dipole oscillator strength sums and mean excitation energies for the molecule. A pseudo-DOSD for SiF4 is also presented which is used to obtain reliable results for the isotropic dipole-dipole dispersion energy coefficients C6, for the interaction of SiF4 with itself and with 43 other species and the triple-dipole dispersion energy coefficient C9 for (SiF4)3.

A polarizable dipole-dipole interaction model for evaluation of the interaction energies for N-H···O=C and C-H···O=C hydrogen-bonded complexes.

PubMed

Li, Shu-Shi; Huang, Cui-Ying; Hao, Jiao-Jiao; Wang, Chang-Sheng

2014-03-05

In this article, a polarizable dipole-dipole interaction model is established to estimate the equilibrium hydrogen bond distances and the interaction energies for hydrogen-bonded complexes containing peptide amides and nucleic acid bases. We regard the chemical bonds N-H, C=O, and C-H as bond dipoles. The magnitude of the bond dipole moment varies according to its environment. We apply this polarizable dipole-dipole interaction model to a series of hydrogen-bonded complexes containing the N-H···O=C and C-H···O=C hydrogen bonds, such as simple amide-amide dimers, base-base dimers, peptide-base dimers, and β-sheet models. We find that a simple two-term function, only containing the permanent dipole-dipole interactions and the van der Waals interactions, can produce the equilibrium hydrogen bond distances compared favorably with those produced by the MP2/6-31G(d) method, whereas the high-quality counterpoise-corrected (CP-corrected) MP2/aug-cc-pVTZ interaction energies for the hydrogen-bonded complexes can be well-reproduced by a four-term function which involves the permanent dipole-dipole interactions, the van der Waals interactions, the polarization contributions, and a corrected term. Based on the calculation results obtained from this polarizable dipole-dipole interaction model, the natures of the hydrogen bonding interactions in these hydrogen-bonded complexes are further discussed. Copyright © 2013 Wiley Periodicals, Inc.

Dominance of broken bonds and nonbonding electrons at the nanoscale

NASA Astrophysics Data System (ADS)

Sun, Chang Q.

2010-10-01

Although they exist ubiquitously in human bodies and our surroundings, the impact of nonbonding lone electrons and lone electron pairs has long been underestimated. Recent progress demonstrates that: (i) in addition to the shorter and stronger bonds between under-coordinated atoms that initiate the size trends of the otherwise constant bulk properties when a substance turns into the nanoscale, the presence of lone electrons near to broken bonds generates fascinating phenomena that bulk materials do not demonstrate; (ii) the lone electron pairs and the lone pair-induced dipoles associated with C, N, O, and F tetrahedral coordination bonding form functional groups in biological, organic, and inorganic specimens. By taking examples of surface vacancy, atomic chain end and terrace edge states, catalytic enhancement, conducting-insulating transitions of metal clusters, defect magnetism, Coulomb repulsion at nanoscale contacts, Cu3C2H2 and Cu3O2 surface dipole formation, lone pair neutralized interface stress, etc, this article will focus on the development and applications of theory regarding the energetics and dynamics of nonbonding electrons, aiming to raise the awareness of their revolutionary impact to the society. Discussion will also extend to the prospective impacts of nonbonding electrons on mysteries such as catalytic enhancement and catalysts design, the density anomalies of ice and negative thermal expansion, high critical temperature superconductivity induced by B, C, N, O, and F, the molecular structures and functionalities of CF4 in anti-coagulation of synthetic blood, NO signaling, and enzyme telomeres, etc. Meanwhile, an emphasis is placed on the necessity and effectiveness of understanding the properties of substances from the perspective of bond and nonbond formation, dissociation, relaxation and vibration, and the associated energetics and dynamics of charge repopulation, polarization, densification, and localization. Finding and grasping the factors controlling the nonbonding states and making them of use in functional materials design and identifying their limitations will form, in the near future, a subject area of ``nonbonding electronics and energetics'', which could be even more challenging, fascinating, promising, and rewarding than dealing with core or valence electrons alone.

Investigation of Ferroelectric Domain Walls by Raman Spectroscopy

NASA Astrophysics Data System (ADS)

Stone, Gregory A.

Ferroelectric materials are characterized by an intrinsic spontaneous electric dipole moment that can be manipulated by the application of an electric field. Regions inside the crystal, known as domains, can have the spontaneous dipole moments oriented in a different direction than the surrounding crystal. Due to favorable piezoelectric, pyroelectric, electro-optic, and nonlinear optical properties, ferroelectric materials are attractive for commercial applications. Many devices, such as nonlinear frequency converters, require precisely engineered domain patterns. The properties of domains and their boundaries, known as domain walls, are vital to the performance and limitations of these devices. As a result, ferroelectric domains and the domain walls have been the focus of many scientific studies. Despite all this work, questions remain regarding their properties. This work is aimed at developing a better understanding of the properties of the domain wall using confocal Raman spectroscopy. Raman spectra taken from domain walls in Lithium Niobate and Lithium Tantalate reveal two distinct changes in the Raman spectra: (1) Shifts in frequency of the bulk Raman modes, which persists over a range of 0.2-0.5 mu m from the domain wall. The absence of this effect in defect free stoichiometric Lithium Tantalate indicates that the shifts are related to defects inside the crystal. (2) The presence of Raman modes corresponding to phonons propagating orthogonal to the laser beam axis, which are not collected in the bulk crystal. The phonons also preferential propagate normal to the domain wall. These modes are detected up to 0.35 mum from the domain wall. The observation and separation of these effects was made possible by the optimized spatial resolution (0.23 mum) of a home-built scanning confocal microscope and the fact that degeneracy of the transverse and longitudinal phonon polarization is lifted by polar phonons in Lithium Niobate and Lithium Tantalate. Raman investigations on other interfaces such as front, side and bottom surfaces revealed a similar appearance of modes due to distortion of wave fronts and reflection. These surfaces are studied to provide insight into mechanism that give rise to Raman modes typically absent for the particular orientation of the crystal.

An Analytical Model for Non-Uniform Magnetic Field Effects on Two-Dimensional Laminar Jet Diffusion Flames

NASA Technical Reports Server (NTRS)

Calvert, M. E.; Baker, J.; Saito, K.; VanderWal, R. L.

2001-01-01

In 1846, Michael Faraday found that permanent magnets could cause candle flames to deform into equatorial disks. He believed that the change in flame shape was caused by the presence of charged particles within the flames interacting with the magnetic fields. Later researchers found that the interaction between the flame ions and the magnetic fields were much too small to cause the flame deflection. Through a force analysis, von Engel and Cozens showed that the change in the flame shape could be attributed to the diamagnetic flame gases in the paramagnetic atmosphere. Paramagnetism occurs in materials composed of atoms with permanent magnetic dipole moments. In the presence of magnetic field gradients, the atoms align with the magnetic field and are drawn into the direction of increasing magnetic field. Diamagnetism occurs when atoms have no net magnetic dipole moment. In the presence of magnetic gradient fields, diamagnetic substances are repelled towards areas of decreasing magnetism. Oxygen is an example of a paramagnetic substance. Nitrogen, carbon monoxide and dioxide, and most hydrocarbon fuels are examples of diamagnetic substances. In order to evaluate the usefulness of these magnets in altering flame behavior, a study has been undertaken to develop an analytical model to describe the change in the flame length of a laminar diffusion jet in the presence of a nonuniform magnetic field.

Charged perfect fluid tori in strong central gravitational and dipolar magnetic fields

NASA Astrophysics Data System (ADS)

Kovář, Jiří; Slaný, Petr; Cremaschini, Claudio; Stuchlík, Zdeněk; Karas, Vladimír; Trova, Audrey

2016-06-01

We study electrically charged perfect fluid toroidal structures encircling a spherically symmetric gravitating object with Schwarzschild spacetime geometry and endowed with a dipole magnetic field. The work represents a direct continuation of our previous general-relativistic studies of electrically charged fluid in the approximation of zero conductivity, which formed tori around a Reissner-Nordström black hole or a Schwarzschild black hole equipped with a test electric charge and immersed in an asymptotically uniform magnetic field. After a general introduction of the zero-conductivity charged fluid model, we discuss a variety of possible topologies of the toroidal fluid configurations. Along with the charged equatorial tori forming interesting coupled configurations, we demonstrate the existence of the off-equatorial tori, for which the dipole type of magnetic field seems to be necessary. We focus on orbiting structures with constant specific angular momentum and on those in permanent rigid rotation. We stress that the general analytical treatment developed in our previous works is enriched here by the integrated form of the pressure equations. To put our work into an astrophysical context, we identify the central object with an idealization of a nonrotating magnetic neutron star. Constraining ranges of its parameters and also parameters of the circling fluid, we discuss a possible relevance of the studied toroidal structures, presenting along with their topology also pressure, density, temperature and charge profiles.

Effective rotational correlation times of proteins from NMR relaxation interference

NASA Astrophysics Data System (ADS)

Lee, Donghan; Hilty, Christian; Wider, Gerhard; Wüthrich, Kurt

2006-01-01

Knowledge of the effective rotational correlation times, τc, for the modulation of anisotropic spin-spin interactions in macromolecules subject to Brownian motion in solution is of key interest for the practice of NMR spectroscopy in structural biology. The value of τc enables an estimate of the NMR spin relaxation rates, and indicates possible aggregation of the macromolecular species. This paper reports a novel NMR pulse scheme, [ 15N, 1H]-TRACT, which is based on transverse relaxation-optimized spectroscopy and permits to determine τc for 15N- 1H bonds without interference from dipole-dipole coupling of the amide proton with remote protons. [ 15N, 1H]-TRACT is highly efficient since only a series of one-dimensional NMR spectra need to be recorded. Its use is suggested for a quick estimate of the rotational correlation time, to monitor sample quality and to determine optimal parameters for complex multidimensional NMR experiments. Practical applications are illustrated with the 110 kDa 7,8-dihydroneopterin aldolase from Staphylococcus aureus, the uniformly 15N-labeled Escherichia coli outer membrane protein X (OmpX) in 60 kDa mixed OmpX/DHPC micelles with approximately 90 molecules of unlabeled 1,2-dihexanoyl- sn-glycero-3-phosphocholine (DHPC), and the 16 kDa pheromone-binding protein from Bombyx mori, which cover a wide range of correlation times.

Structural and superconducting features of Tl-1223 prepared at ambient pressure

DOE PAGES

Shipra, Fnu; Idrobo Tapia, Juan Carlos; Sefat, Athena Safa

2015-09-25

This study provides an account of the bulk preparation of TlBa 2Ca 2Cu 3O 9-δ (Tl-1223) superconductor at ambient pressure, and the Tc features under thermal-annealing conditions. The ‘as-prepared’ Tl-1223 (Tc =106 K) presents a significantly higher T c = 125 K after annealing the polycrystalline material in either flowing Ar+4% H 2, or N 2 gases. In order to understand the fundamental reasons for a particular Tc, we refined the average bulk structures using powder X-ray diffraction data. Although Ar+4%H2 annealed Tl- 1223 shows an increased ‘c’ lattice parameter, it shrinks by 0.03% (approximately unchanged) upon N2 anneal. Duemore » to such indeterminate conclusions on the average structural changes, local structures were investigated at using aberration-corrected scanning-transmission electron microscopy technique. Similar compositional changes in the atomic arrangements of both annealed-samples of Tl-1223 were detected in which the plane containing Ca atomic layer gives a non-uniform contrast, due to substitution of some heavier Tl. In this report, extensive bulk properties are summarized through temperature-dependent resistivity, and shielding and Meissner fractions of magnetic susceptibility results; the bulk and local structures are investigated to correlate to properties.« less

Studying Petrophysical and Geomechanical Properties of Utica Point-Pleasant Shale and its Variations Across the Northern Appalachian Basin

NASA Astrophysics Data System (ADS)

Raziperchikolaee, S.; Kelley, M. E.; Burchwell, A.

2017-12-01

Understanding petrophysical and geomechanical parameters of shale formations and their variations across the basin are necessary to optimize the design of a hydraulic fracturing program aimed at enhancing long term oil/gas production from unconventional wells. Dipole sonic logging data (compressional-wave and shear-wave slowness) from multiple wells across the study area, coupled with formation bulk density log data, were used to calculate dynamic elastic parameters, including shear modulus, bulk modulus, Poisson's ratio, and Young's modulus for the shale formations. The individual-well data were aggregated into a single histogram for each parameter to gain an understanding of the variation in the properties (including brittleness) of the Utica Point-Pleasant formations across the entire study area. A crossplot of the compressional velocity and bulk density and a crossplot between the compressional velocity, the shear velocity, and depth of the measurement were used for a high level petrophysical characterization of the Utica Point-Pleasant. Detailed interpretation of drilling induced fractures recorded in image logs, and an analysis of shear wave anisotropy using multi-receiver sonic logs were also performed. Orientation of drilling induced fractures was measured to determine the maximum horizontal stress azimuth. Also, an analysis of shear wave anisotropy to predict stress anisotropy around the wellbore was performed to determine the direction of maximum horizontal stress. Our study shows how the detailed interpretation of borehole breakouts, drilling induced fractures, and sonic wave data can be used to reduce uncertainty and produce a better hydraulic fracturing design in the Utica Point Pleasant formations across the northern Appalachian Basin region of Ohio.

Diagnostics Upgrades for Investigations of HOM Effects in TESLA-type SCRF Cavities

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

Lumpkin, A. H.; Edstrom Jr., D.; Ruan, J.

We describe the upgrades to diagnostic capabilities on the Fermilab Accelerator Science and Technology (FAST) electron linear accelerator that will allow investigations of the effects of high-order modes (HOMs) in SCRF cavities on macropulse-average beam quality. We examine the dipole modes in the first pass-band generally observed in the 1.6-1.9 GHz regime for TESLA-type SCRF cavities due to uniform transverse beam offsets of the electron beam. Such cavities are the basis of the accelerators such as the European XFEL and the proposed MaRIE XFEL facility. Preliminary HOM detector data, prototype BPM test data, and first framing camera OTR data withmore » ~20- micron spatial resolution at 250 pC per bunch will be presented.« less

Constraints on exotic dipole-dipole couplings between electrons at the micron scale

NASA Astrophysics Data System (ADS)

Kotler, Shlomi; Ozeri, Roee; Jackson Kimball, Derek

2015-05-01

Until recently, the magnetic dipole-dipole coupling between electrons had not been directly observed experimentally. This is because at the atomic scale dipole-dipole coupling is dominated by the exchange interaction and at larger distances the dipole-dipole coupling is overwhelmed by ambient magnetic field noise. In spite of these challenges, the magnetic dipole-dipole interaction between two electron spins separated by 2.4 microns was recently measured using the valence electrons of trapped Strontium ions [S. Kotler, N. Akerman, N. Navon, Y. Glickman, and R. Ozeri, Nature 510, 376 (2014)]. We have used this measurement to directly constrain exotic dipole-dipole interactions between electrons at the micron scale. For light bosons (mass 0.1 eV), we find that coupling constants describing pseudoscalar and axial-vector mediated interactions must be | gPegPe/4 πℏc | <= 1 . 5 × 10-3 and | gAegAe/4 πℏc | <= 1 . 2 × 10-17 , respectively, at the 90% confidence level. These bounds significantly improve on previous constraints in this mass range: for example, the constraints on axial-vector interactions are six orders of magnitude stronger than electron-positron constraints based on positronium spectroscopy. Supported by the National Science Foundation, I-Core: the Israeli excellence center, and the European Research Council.

Mechanical properties of Fe rich Fe-Si alloys: ab initio local bulk-modulus viewpoint

NASA Astrophysics Data System (ADS)

Bhattacharya, Somesh Kr; Kohyama, Masanori; Tanaka, Shingo; Shiihara, Yoshinori; Saengdeejing, Arkapol; Chen, Ying; Mohri, Tetsuo

2017-11-01

Fe-rich Fe-Si alloys show peculiar bulk-modulus changes depending on the Si concentration in the range of 0-15 at.%Si. In order to clarify the origin of this phenomenon, we have performed density-functional theory calculations of supercells of Fe-Si alloy models with various Si concentrations. We have applied our recent techniques of ab initio local energy and local stress, by which we can obtain a local bulk modulus of each atom or atomic group as a local constituent of the cell-averaged bulk modulus. A2-phase alloy models are constructed by introducing Si substitution into bcc Fe as uniformly as possible so as to prevent mutual neighboring, while higher Si concentrations over 6.25 at.%Si lead to contacts between SiFe8 cubic clusters via sharing corner Fe atoms. For 12.5 at.%Si, in addition to an A2 model, we deal with partial D03 models containing local D03-like layers consisting of edge-shared SiFe8 cubic clusters. For the cell-averaged bulk modulus, we have successfully reproduced the Si-concentration dependence as a monotonic decrease until 11.11 at.%Si and a recovery at 12.5 at.%Si. The analysis of local bulk moduli of SiFe8 cubic clusters and Fe regions is effective to understand the variations of the cell-averaged bulk modulus. The local bulk moduli of Fe regions become lower for increasing Si concentration, due to the suppression of bulk-like d-d bonding states in narrow Fe regions. For higher Si concentrations till 11.11 at.%Si, corner-shared contacts or 1D chains of SiFe8 clusters lead to remarkable reduction of local bulk moduli of the clusters. At 12 at.%Si, on the other hand, two- or three-dimensional arrangements of corner- or edge-shared SiFe8 cubic clusters show greatly enhanced local bulk moduli, due to quite different bonding nature with much stronger p-d hybridization. The relation among the local bulk moduli, local electronic and magnetic structures, and local configurations such as connectivity of SiFe8 clusters and Fe-region sizes has been analyzed. The ab initio local stress has opened the way for obtaining accurate local elastic properties reflecting local valence-electron behaviors.

Polarized neutron imaging and three-dimensional calculation of magnetic flux trapping in bulk of superconductors

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

Treimer, Wolfgang; Ebrahimi, Omid; Karakas, Nursel

Polarized neutron radiography was used to study the three-dimensional magnetic flux distribution inside of single-crystal and polycrystalline Pb cylinders with large (cm3) volume and virtually zero demagnetization. Experiments with single crystals being in the Meissner phase (T

Sintering Process and Mechanical Property of MWCNTs/HDPE Bulk Composite

PubMed Central

Tze-Chi, Hsu; Jie-Ren, Zheng

2009-01-01

Studies have proved that increasing polymer matrices by carbon nanotubes to form structural reinforcement and electrical conductivity have significantly improved mechanical and electrical properties at very low carbon nanotubes loading. In other words, increasing polymer matrices by carbon nanotubes to form structural reinforcement can reduce friction coefficient and enhance anti-wear property. However, producing traditional MWCNTs in polymeric materix is an extremely complicated process. Using melt-mixing process or in situ polymerization leads to better dispersion effect on composite materials. In this study, therefore, to simplify MWCNTs /HDPE composite process and increase dispersion, powder was used directly to replace pellet to mix and sinter with MWCNTs. The composite bulks with 0, 0.5, 1, 2 and 4% nanotube content by weight was analyzed under SEM to observe nanotubes dispersion. At this rate, a MWCNTs/HDPE composite bulk with uniformly dispersed MWCNTs was achieved, and through the wear bench (Pin-on-Disk), the wear experiment has accomplished. Accordingly, the result suggests the sintered MWCNTs/HDPE composites amplify the hardness and wear-resist property. PMID:19730688

Effect of surface morphology on drag and roughness sublayer in flows over regular roughness elements

NASA Astrophysics Data System (ADS)

Placidi, Marco; Ganapathisubramani, Bharathram

2014-11-01

The effects of systematically varied roughness morphology on bulk drag and on the spatial structure of turbulent boundary layers are examined by performing a series of wind tunnel experiments. In this study, rough surfaces consisting of regularly and uniformly distributed LEGO™ bricks are employed. Twelve different patterns are adopted in order to methodically examine the individual effects of frontal solidity (λF, frontal area of the roughness elements per unit wall-parallel area) and plan solidity (λP, plan area of roughness elements per unit wall-parallel area), on both the bulk drag and the turbulence structure. A floating element friction balance based on Krogstad & Efros (2010) was designed and manufactured to measure the drag generated by the different surfaces. In parallel, high resolution planar and stereoscopic Particle Image Velocimetry (PIV) was applied to investigate the flow features. This talk will focus on the effects of each solidity parameter on the bulk drag and attempt to relate the observed trends to the flow structures in the roughness sublayer. Currently at City University London.

The spatial range of protein hydration

NASA Astrophysics Data System (ADS)

Persson, Filip; Söderhjelm, Pär; Halle, Bertil

2018-06-01

Proteins interact with their aqueous surroundings, thereby modifying the physical properties of the solvent. The extent of this perturbation has been investigated by numerous methods in the past half-century, but a consensus has still not emerged regarding the spatial range of the perturbation. To a large extent, the disparate views found in the current literature can be traced to the lack of a rigorous definition of the perturbation range. Stating that a particular solvent property differs from its bulk value at a certain distance from the protein is not particularly helpful since such findings depend on the sensitivity and precision of the technique used to probe the system. What is needed is a well-defined decay length, an intrinsic property of the protein in a dilute aqueous solution, that specifies the length scale on which a given physical property approaches its bulk-water value. Based on molecular dynamics simulations of four small globular proteins, we present such an analysis of the structural and dynamic properties of the hydrogen-bonded solvent network. The results demonstrate unequivocally that the solvent perturbation is short-ranged, with all investigated properties having exponential decay lengths of less than one hydration shell. The short range of the perturbation is a consequence of the high energy density of bulk water, rendering this solvent highly resistant to structural perturbations. The electric field from the protein, which under certain conditions can be long-ranged, induces a weak alignment of water dipoles, which, however, is merely the linear dielectric response of bulk water and, therefore, should not be thought of as a structural perturbation. By decomposing the first hydration shell into polarity-based subsets, we find that the hydration structure of the nonpolar parts of the protein surface is similar to that of small nonpolar solutes. For all four examined proteins, the mean number of water-water hydrogen bonds in the nonpolar subset is within 1% of the value in bulk water, suggesting that the fragmentation and topography of the nonpolar protein-water interface has evolved to minimize the propensity for protein aggregation by reducing the unfavorable free energy of hydrophobic hydration.

The successful incorporation of Ag into single grain, Y-Ba-Cu-O bulk superconductors

NASA Astrophysics Data System (ADS)

Congreve, Jasmin V. J.; Shi, Yunhua; Dennis, Anthony R.; Durrell, John H.; Cardwell, David A.

2018-07-01

The use of RE-Ba-Cu-O [(RE)BCO] bulk superconductors, where RE = Y, Gd, Sm, in practical applications is, at least in part, limited by their mechanical properties and brittle nature, in particular. Alloying these materials with silver, however, produces a significant improvement in strength without any detrimental impact on their superconducting properties. Unfortunately, the top seeded melt growth technique, used routinely to process bulk (RE)BCO superconductors in the form of large, single grains required for practical applications, is complex and has a large number of inter-related variables, so the addition of silver increases the complexity of the growth process even further. This can make successful growth of this system extremely challenging. Here we report measurements of the growth rate of YBCO-Ag fabricated using a new growth technique consisting of continuous cooling and isothermal hold process. The resulting data form the basis of a model that has been used to derive suitable heating profiles for the successful single grain growth of YBCO-Ag bulk superconductors of up to 26 mm in diameter. The microstructure and distribution of silver within these samples have been studied in detail. The maximum trapped field at the top surface of the bulk YBCO-Ag samples has been found to be comparable to that of standard YBCO processed without Ag. The YBCO-Ag samples also exhibit a much more uniform trapped field profile compared to that of YBCO.

Reactions between palladium and gallium arsenide: Bulk versus thin-film studies

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

Lin, J.; Hsieh, K.; Schulz, K.J.

1988-01-01

Reactions between Pd and GaAs have been studied using bulk-diffusion couples of Pd (approx.0.6 mm thick)/GaAs and thin-film Pd (50 and 160 nm)/GaAs samples. The sequence of phase formation at 600 /sup 0/C between bulk Pd and GaAs was established. Initial formation of the solution phase ..mu.. and the ternary phase T does not represent the stable configuration. The stable configuration is GaAs chemically bondepsilonchemically bondlambdachemically bond..gamma..chemically bond..nu..chemically bondPd and is termed the diffusion path between GaAs and Pd. The sequence of phase formation for the bulk-diffusion couples is similar at 500 /sup 0/C. Phase formation for the thin-film Pd/GaAsmore » specimens was studied at 180, 220, 250, 300, 350, 400, 450, 600, and 1000 /sup 0/C for various annealing times. The sequence of phase formation obtained from the thin-film experiments is rationalized readily from the known ternary phase equilibria of Ga--Pd--As and the results from the bulk-diffusion couples of Pd/GaAs. The thin-film results reported in the literature are likewise rationalized. The diffusion path concept provides a useful guide in understanding the phase formation in Pd--GaAs interface or any other M--GaAs interface. This information is important in designing a uniform, stable contact for the metallization of GaAs.« less

Ideal Magnetic Dipole Scattering

NASA Astrophysics Data System (ADS)

Feng, Tianhua; Xu, Yi; Zhang, Wei; Miroshnichenko, Andrey E.

2017-04-01

We introduce the concept of tunable ideal magnetic dipole scattering, where a nonmagnetic nanoparticle scatters light as a pure magnetic dipole. High refractive index subwavelength nanoparticles usually support both electric and magnetic dipole responses. Thus, to achieve ideal magnetic dipole scattering one has to suppress the electric dipole response. Such a possibility was recently demonstrated for the so-called anapole mode, which is associated with zero electric dipole scattering. By spectrally overlapping the magnetic dipole resonance with the anapole mode, we achieve ideal magnetic dipole scattering in the far field with tunable strong scattering resonances in the near infrared spectrum. We demonstrate that such a condition can be realized at least for two subwavelength geometries. One of them is a core-shell nanosphere consisting of a Au core and silicon shell. It can be also achieved in other geometries, including nanodisks, which are compatible with current nanofabrication technology.

Determination of Halide Concentrations at the Interface of Zwitterionic Micelles by Chemical Trapping: Influence of the Orientation of the Dipole and the Nature of the Cation.

PubMed

Cuccovia; Romsted; Chaimovich

1999-12-01

The interfacial concentrations of Cl(-) and Br(-) in aqueous zwitterionic micelles were determined by chemical trapping by analyzing product yields from spontaneous dediazoniation of micelle-bound 2,6-dimethyl-4-hexadecylbenzenediazonium ion. Interfacial concentrations of Cl(-) and Br(-) in 3-(N-hexadecyl-N, N-dimethylammonio) propane sulfonate, HPS, micelles were higher than in bulk solutions prepared with Li(+), Na(+), Rb(+), Cs(+), tetramethylammonium (TMA(+)), Mg(+2), and Ca(+2) salts. In contrast, the interfacial concentrations of Cl(-) and Br(-) were generally lower than in bulk solution in hexadecylphosphoryl choline, HDPC, micelles for all salts except Mg(+2) and Ca(+2). In both HPS and HDPC micelles the interfacial concentration of Br(-) was higher than that of Cl(-), showing that binding is anion selective. The cation had a large effect on the interfacial concentration of halide ions with HDPC micelles decreasing in the order Ca(2+) > Mg(2+) > Li(+) > Na(+) > K(+) > Cs(+) > Rb(+) > TMA(+). These results are the first direct and extensive determination of local halide ion concentration at the surface of zwitterionic micelles, and they demonstrate that chemical trapping methodology will work in membranes at physiologically relevant salt concentrations. Copyright 1999 Academic Press.

A flux extraction device to measure the magnetic moment of large samples; application to bulk superconductors.

PubMed

Egan, R; Philippe, M; Wera, L; Fagnard, J F; Vanderheyden, B; Dennis, A; Shi, Y; Cardwell, D A; Vanderbemden, P

2015-02-01

We report the design and construction of a flux extraction device to measure the DC magnetic moment of large samples (i.e., several cm(3)) at cryogenic temperature. The signal is constructed by integrating the electromotive force generated by two coils wound in series-opposition that move around the sample. We show that an octupole expansion of the magnetic vector potential can be used conveniently to treat near-field effects for this geometrical configuration. The resulting expansion is tested for the case of a large, permanently magnetized, type-II superconducting sample. The dimensions of the sensing coils are determined in such a way that the measurement is influenced by the dipole magnetic moment of the sample and not by moments of higher order, within user-determined upper bounds. The device, which is able to measure magnetic moments in excess of 1 A m(2) (1000 emu), is validated by (i) a direct calibration experiment using a small coil driven by a known current and (ii) by comparison with the results of numerical calculations obtained previously using a flux measurement technique. The sensitivity of the device is demonstrated by the measurement of flux-creep relaxation of the magnetization in a large bulk superconductor sample at liquid nitrogen temperature (77 K).

The partition and transport behavior of cytotoxic ionic liquids (ILs) through the DPPC bilayer: Insights from molecular dynamics simulation.

PubMed

Ganjali Koli, Mokhtar; Azizi, Khaled

A molecular dynamics (MD) simulation with atomistic details was performed to examine the partitioning and transport behavior of moderately cytotoxic ionic liquids (ILs), namely choline bis(2-ethylhexyl) phosphate (CBEH), choline bis(2,4,4-trimethylpentyl) phosphinate (CTMP) and choline O,O-diethyl dithiophosphate (CDEP) in a fully hydrated dipalmitoylphosphatidylcholine (DPPC) bilayer in the fluid phase at 323 K. The structure of ILs was so selected to understand if the role of dipole and dispersion forces in the ILs distribution in the membrane can be possible. Several analyses including mass density, electrostatic potential, order parameter, diffusion coefficients and hydrogen bond formation, was carried out to determine the precise location of the anionic species inside the membrane. Moreover, the potential of the mean force (PMF) method was used to calculate free energy profile for transferring anionic species from the DPPC membrane into the bulk water. While less cytotoxic DEP is located within the bulk water, more cytotoxic TMP and BEH ILs were found to remain in the membrane and the energy barrier for crossing through the bilayer center of BEH was higher. Various ILs have no significant effect on P-N vector. The thickness of lipid bilayer decreased in all systems comprising ILs, while area per lipid increased.

Nucleation type instabilities in partially wetting nanoscale nematic liquid films

NASA Astrophysics Data System (ADS)

Lam, Michael; Cummings, Linda; Kondic, Lou

2016-11-01

Nucleation type instabilities are studied in nematic liquid crystal (NLC) films with thicknesses less than a micrometer. Within the framework of the long wave approximation, a 4th order nonlinear partial differential equation is proposed for the free surface height. Unlike simple fluids, NLC molecules have a dipole moment which induces an elastic response due to deformation in the bulk of the fluid. The model includes the balance between the bulk elasticity energy and the anchoring (boundary) energy at the substrate and free surface, and van der Waals' intermolecular forces, by means of a structural disjoining pressure. In this presentation, we focus on two-dimensional flow and present simulation results for a flat film with a localized perturbation. We are interested in the morphology of the dewetted film as a function of the initial film thickness. We will show that there exists a range of film thicknesses within the linearly unstable flat film regime where stability analysis does not explain the morphology of the dewetted film. Marginal stability criterion (MSC) is used to derive an analytical expression for the velocity at which a perturbation propagates into the unstable flat film. Finally, we discuss the degree to which MSC can be used to explain the observed morphology.

Energy flow of electric dipole radiation in between parallel mirrors

NASA Astrophysics Data System (ADS)

Xu, Zhangjin; Arnoldus, Henk F.

2017-11-01

We have studied the energy flow patterns of the radiation emitted by an electric dipole located in between parallel mirrors. It appears that the field lines of the Poynting vector (the flow lines of energy) can have very intricate structures, including many singularities and vortices. The flow line patterns depend on the distance between the mirrors, the distance of the dipole to one of the mirrors and the angle of oscillation of the dipole moment with respect to the normal of the mirror surfaces. Already for the simplest case of a dipole moment oscillating perpendicular to the mirrors, singularities appear at regular intervals along the direction of propagation (parallel to the mirrors). For a parallel dipole, vortices appear in the neighbourhood of the dipole. For a dipole oscillating under a finite angle with the surface normal, the radiating tends to swirl around the dipole before travelling off parallel to the mirrors. For relatively large mirror separations, vortices appear in the pattern. When the dipole is off-centred with respect to the midway point between the mirrors, the flow line structure becomes even more complicated, with numerous vortices in the pattern, and tiny loops near the dipole. We have also investigated the locations of the vortices and singularities, and these can be found without any specific knowledge about the flow lines. This provides an independent means of studying the propagation of dipole radiation between mirrors.

Near-infrared emission from mesoporous crystalline germanium

NASA Astrophysics Data System (ADS)

Boucherif, Abderraouf; Korinek, Andreas; Aimez, Vincent; Arès, Richard

2014-10-01

Mesoporous crystalline germanium was fabricated by bipolar electrochemical etching of Ge wafer in HF-based electrolyte. It yields uniform mesoporous germanium layers composed of high density of crystallites with an average size 5-7 nm. Subsequent extended chemical etching allows tuning of crystallites size while preserving the same chemical composition. This highly controllable nanostructure exhibits photoluminescence emission above the bulk Ge bandgap, in the near-infrared range (1095-1360nm) with strong evidence of quantum confinement within the crystallites.

Defect reduction in seeded aluminum nitride crystal growth

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

Bondokov, Robert T.; Morgan, Kenneth E.; Schowalter, Leo J.

2017-04-18

Bulk single crystal of aluminum nitride (AlN) having an areal planar defect density.ltoreq.100 cm.sup.-2. Methods for growing single crystal aluminum nitride include melting an aluminum foil to uniformly wet a foundation with a layer of aluminum, the foundation forming a portion of an AlN seed holder, for an AlN seed to be used for the AlN growth. The holder may consist essentially of a substantially impervious backing plate.

International Workshop on Computational Condensed Matter Physics (5th) Held in Trieste, Italy on 16-18 January 1991. Programme and Abstracts

DTIC Science & Technology

1991-01-18

wave bases in the study of bulk crystals , surfces. liquids, and clusters. However, since plane waves provide uniform representation of bhysical...applied to the crystal . These statements are substantiated by converged total energy studies , and calculations of elec- tronic states, pressure...In addition, there will be one (or more) poster session(s). This activitv is co-sponsored by the Scuola Internazionale di Studi Avanzati (SISSA

Defect reduction in seeded aluminum nitride crystal growth

DOEpatents

Bondokov, Robert T.; Morgan, Kenneth E.; Schowalter, Leo J.; Slack, Glen A.

2017-06-06

Bulk single crystal of aluminum nitride (AlN) having an areal planar defect density .ltoreq.100 cm.sup.-2. Methods for growing single crystal aluminum nitride include melting an aluminum foil to uniformly wet a foundation with a layer of aluminum, the foundation forming a portion of an AlN seed holder, for an AlN seed to be used for the AlN growth. The holder may consist essentially of a substantially impervious backing plate.

Defect reduction in seeded aluminum nitride crystal growth

DOEpatents

Bondokov, Robert T.; Schowalter, Leo J.; Morgan, Kenneth; Slack, Glen A; Rao, Shailaja P.; Gibb, Shawn Robert

2017-09-26

Bulk single crystal of aluminum nitride (AlN) having an areal planar defect density.ltoreq.100 cm.sup.-2. Methods for growing single crystal aluminum nitride include melting an aluminum foil to uniformly wet a foundation with a layer of aluminum, the foundation forming a portion of an AlN seed holder, for an AlN seed to be used for the AlN growth. The holder may consist essentially of a substantially impervious backing plate.

Fiber gasket and method of making same

DOEpatents

Bruck, Gerald Joseph; Alvin, Mary Anne; Smeltzer, Eugene E.

2003-01-01

A gasket (1) is made by repetitively spirally winding a fiber (3) back on itself in a closed path. The gasket (1) so made has a multi-layer spiral winding (1) formed in a loop (5). The fiber (3) can be wound at a constant wrap rate to form a gasket with a uniform cross-section around the loop. Alternatively, the wrap rate can be varied, increased to increase cross-sectional bulk, and decreased to reduce cross-section bulk around the loop (5). Also, the spiral winding (7) can be applied over a core (13) of either strands of the fiber (3) or a dissimilar material providing a desired property such as resiliency, stiffness or others. For high temperature applications, a ceramic fiber (3) can be used. The gasket (1) can have any of various geometric configurations with or without a core (13).

Magnetic levitation and its application for education devices based on YBCO bulk superconductors

NASA Astrophysics Data System (ADS)

Yang, W. M.; Chao, X. X.; Guo, F. X.; Li, J. W.; Chen, S. L.

2013-10-01

A small superconducting maglev propeller system, a small spacecraft model suspending and moving around a terrestrial globe, several small maglev vehicle models and a magnetic circuit converter have been designed and constructed. The track was paved by NdFeB magnets, the arrangement of the magnets made us easy to get a uniform distribution of magnetic field along the length direction of the track and a high magnetic field gradient in the lateral direction. When the YBCO bulks mounted inside the vehicle models or spacecraft model was field cooled to LN2 temperature at a certain distance away from the track, they could be automatically floating over and moving along the track without any obvious friction. The models can be used as experimental or demonstration devices for the magnetic levitation applications.

Sintered magnetic cores of high Bs Fe84.3Si4B8P3Cu0.7 nano-crystalline alloy with a lamellar microstructure

NASA Astrophysics Data System (ADS)

Zhang, Yan; Sharma, Parmanand; Makino, Akihiro

2014-05-01

Fabrication of bulk cores of nano-crystalline Fe84.3Si4B8P3Cu0.7 alloy with a lamellar type of microstructure is reported. Amorphous ribbon flakes of size ˜1.0-2.0 mm were compacted in the bulk form by spark plasma sintering technique at different sintering temperatures. High density (˜96.4%) cores with a uniform nano-granular structure made from α-Fe (˜31 nm) were obtained. These cores show excellent mechanical and soft magnetic properties. The lamellar micro-structure is shown to be important in achieving significantly lower magnetic core loss than the non-oriented silicon steel sheets, commercial powder cores and even the core made of the same alloy with finer and randomly oriented powder particles.

Compositional analysis of dilute nitride doped indium antimonide bulk crystal by VDS technique

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

Deshpande, Manisha, E-mail: manishauj@gmail.com; Department of Physics, Mithibai College, Vile Parle; Maske, Dilip

2016-05-06

Dilute nitrides are suitable materials for fabrication of devices in detection of long wavelength infrared region. Dilute nitride doped Indium antimonide bulk crystals were grown using vertical directional solidification technique. The compositional characteristics of the crystals were carried out using EDS. The analysis was simulated and compared with observations using DTSA II software for accuracy. The ingots have uniform composition of Indium and Antimony. The actual nitrogen composition measured using EDS was 0.136% for doped nitrogen composition 0.1% except near conical end where it was 0.1%. The study of bonding between nitrogen, Indium and antimony was carried out using SIMS.more » The analysis shows strong presence of In-N bonding along with In-Sb bonds which indicates nitrogen has replaced antimony atoms in crystal lattice.« less

Static micromixer-coaxial electrospray synthesis of theranostic lipoplexes.

PubMed

Wu, Yun; Li, Lei; Mao, Yicheng; Lee, Ly James

2012-03-27

Theranostic lipoplexes are an integrated nanotherapeutic system with diagnostic imaging capability and therapeutic functions. They hold great promise to improve current cancer treatments; however, producing uniform theranostic lipoplexes with multiple components in a reproducible manner is a highly challenging task. Conventional methods, such as bulk mixing, are not able to achieve this goal because of their macroscale and random nature. Here we report a novel technique, called the static micromixer-coaxial electrospray (MCE), to synthesize theranostic lipoplexes in a single step with high reproducibility. In this work, quantum dots (QD605) and Cy5-labeled antisense oligodeoxynucleotides (Cy5-G3139) were chosen as the model imaging reagent and therapeutic drug, respectively. Compared with bulk mixing, QD605/Cy5-G3139-loaded lipoplexes produced by MCE were highly uniform with polydispersity of 0.024 ± 0.006 and mean diameter by volume of 194 ± 15 nm. MCE also showed higher encapsulation efficiency of QD605 and Cy5-G3139. QD605 and Cy5 also formed the Förster resonance energy transfer pair, and thus the cellular uptake and intracellular fate of theranostic lipoplexes could be visualized by flow cytometry and confocal microscopy. The lipoplexes were efficiently delivered to A549 cells (non-small cell lung cancer cell line) and down-regulated the Bcl-2 gene expression by 48 ± 6%. © 2012 American Chemical Society

Photo-triggering and secondary electron produced ionization in electric discharge ArF* excimer lasers

NASA Astrophysics Data System (ADS)

Xiong, Zhongmin; Kushner, Mark J.

2011-10-01

Electric discharge excimer lasers are sustained in multi-atmosphere attaching gas mixtures that are typically preionized to enable a reproducible, uniform glow, which maximizes optical quality and gain. This preionization is often accomplished using UV light produced by a corona discharge within the plasma cavity. To quantify the relationship between corona discharge properties and those of the laser discharge, the triggering of electron avalanche by preionizing UV light in an electric discharge-pumped ArF* excimer laser was numerically investigated using a two-dimensional model. The preionizing UV fluxes were generated by a corona-bar discharge driven by the same voltage pulse as the main discharge sustained in a multi-atmospheric Ne/Ar/Xe/F2 gas mixture. The resulting peak photo-electron density in the inter-electrode spacing is around 108 cm-3, and its distribution is biased toward the UV source. The preionization density increases with increasing dielectric constant and capacitance of the corona bar. The symmetry and uniformity of the discharge are, however, improved significantly once the main avalanche develops. In addition to bulk electron impact ionization, the ionization generated by sheath accelerated secondary electrons was found to be important in sustaining the discharge current at experimentally observed values. At peak current, the magnitude of the ionization by sheath accelerated electrons is comparable to that from bulk electron impact in the vicinity of the cathode.

Magnetic Field of a Dipole and the Dipole-Dipole Interaction

ERIC Educational Resources Information Center

Kraftmakher, Yaakov

2007-01-01

With a data-acquisition system and sensors commercially available, it is easy to determine magnetic fields produced by permanent magnets and to study the dipole-dipole interaction for different separations and angular positions of the magnets. For sufficiently large distances, the results confirm the 1/R[superscript 3] law for the magnetic field…

Geometrical Simplification of the Dipole-Dipole Interaction Formula

ERIC Educational Resources Information Center

Kocbach, Ladislav; Lubbad, Suhail

2010-01-01

Many students meet dipole-dipole potential energy quite early on when they are taught electrostatics or magnetostatics and it is also a very popular formula, featured in encyclopedias. We show that by a simple rewriting of the formula it becomes apparent that, for example, by reorienting the two dipoles, their attraction can become exactly twice…

Measuring the Forces between Magnetic Dipoles

ERIC Educational Resources Information Center

Gayetsky, Lisa E.; Caylor, Craig L.

2007-01-01

We describe a simple undergraduate lab in which students determine how the force between two magnetic dipoles depends on their separation. We consider the case where both dipoles are permanent and the case where one of the dipoles is induced by the field of the other (permanent) dipole. Agreement with theoretically expected results is quite good.

The long-range non-additive three-body dispersion interactions for the rare gases, alkali, and alkaline-earth atoms

NASA Astrophysics Data System (ADS)

Tang, Li-Yan; Yan, Zong-Chao; Shi, Ting-Yun; Babb, James F.; Mitroy, J.

2012-03-01

The long-range non-additive three-body dispersion interaction coefficients Z111, Z112, Z113, and Z122 are computed for many atomic combinations using standard expressions. The atoms considered include hydrogen, the rare gases, the alkali atoms (up to Rb), and the alkaline-earth atoms (up to Sr). The term Z111 arising from three mutual dipole interactions is known as the Axilrod-Teller-Muto coefficient or the DDD (dipole-dipole-dipole) coefficient. Similarly, the terms Z112, Z113, and Z122 arise from the mutual combinations of dipole (1), quadrupole (2), and octupole (3) interactions between atoms and they are sometimes known, respectively, as dipole-dipole-quadrupole, dipole-dipole-octupole, and dipole-quadrupole-quadrupole coefficients. Results for the four Z coefficients are given for the homonuclear trimers, for the trimers involving two like-rare-gas atoms, and for the trimers with all combinations of the H, He, and Li atoms. An exhaustive compilation of all coefficients between all possible atomic combinations is presented as supplementary data.

Effect of intermolecular dipole-dipole interactions on interfacial supramolecular structures of C3-symmetric hexa-peri-hexabenzocoronene derivatives.

PubMed

Mu, Zhongcheng; Shao, Qi; Ye, Jun; Zeng, Zebing; Zhao, Yang; Hng, Huey Hoon; Boey, Freddy Yin Chiang; Wu, Jishan; Chen, Xiaodong

2011-02-15

Two-dimensional (2D) supramolecular assemblies of a series of novel C(3)-symmetric hexa-peri-hexabenzocoronene (HBC) derivatives bearing different substituents adsorbed on highly oriented pyrolytic graphite were studied by using scanning tunneling microscopy at a solid-liquid interface. It was found that the intermolecular dipole-dipole interactions play a critical role in controlling the interfacial supramolecular assembly of these C(3)-symmetric HBC derivatives at the solid-liquid interface. The HBC molecule bearing three -CF(3) groups could form 2D honeycomb structures because of antiparallel dipole-dipole interactions, whereas HBC molecules bearing three -CN or -NO(2) groups could form hexagonal superstructures because of a special trimeric arrangement induced by dipole-dipole interactions and weak hydrogen bonding interactions ([C-H···NC-] or [C-H···O(2)N-]). Molecular mechanics and dynamics simulations were performed to reveal the physics behind the 2D structures as well as detailed functional group interactions. This work provides an example of how intermolecular dipole-dipole interactions could enable fine control over the self-assembly of disklike π-conjugated molecules.

Near-field levitated quantum optomechanics with nanodiamonds

NASA Astrophysics Data System (ADS)

Juan, M. L.; Molina-Terriza, G.; Volz, T.; Romero-Isart, O.

2016-08-01

We theoretically show that the dipole force of an ensemble of quantum emitters embedded in a dielectric nanosphere can be exploited to achieve near-field optical levitation. The key ingredient is that the polarizability from the ensemble of embedded quantum emitters can be larger than the bulk polarizability of the sphere, thereby enabling the use of repulsive optical potentials and consequently the levitation using optical near fields. In levitated cavity quantum optomechanics, this could be used to boost the single-photon coupling by combining larger polarizability to mass ratio, larger field gradients, and smaller cavity volumes while remaining in the resolved sideband regime and at room temperature. A case study is done with a nanodiamond containing a high density of silicon-vacancy color centers that is optically levitated in the evanescent field of a tapered nanofiber and coupled to a high-finesse microsphere cavity.

Molecular design and theoretical characterization of benzodithiophene based organic photovoltaic materials

NASA Astrophysics Data System (ADS)

Bhattacharya, Labanya; Sahu, Sridhar

2018-05-01

Two different oligomers, containing methyl substituted Benzodithiophene (BDT) as donor unit, fluorinated thiophene as the π-bridge unit and two different kinds of acceptors based on fluorinated benzothiadiazole, fluorinated benzoselenadiazole units are designed for bulk heterojunction (BHJ) organic solar cell (OSC). The ground and excited state properties of those donor-π-acceptor-π-donor (D-π-A-π-D) oligomeric configurations are characterized via density functional (DFT) and time dependent density functional theory (TD-DFT). The parameters such as dipole moment (ρ), chemical potential (µ), electronegativity (χ), frontier molecular orbital (FMO) analysis, HOMO-LUMO gap, open circuit voltage (Voc) and driving force (ΔE) are calculated to analyze geometrical, electronic structural, quantum chemical and photovoltaic properties of the compounds. In addition, optical absorption spectra are also presented for the optical characterization of the compounds.

Dipole oscillator strength properties and dispersion energies for SiH 4

NASA Astrophysics Data System (ADS)

Kumar, Ashok; Kumar, Mukesh; Meath, William J.

2003-01-01

A recommended isotropic dipole oscillator strength distribution (DOSD) has been constructed for the silane (SiH 4) molecule through the use of quantum mechanical constraint techniques and experimental dipole oscillator strength data. The constraints are furnished by experimental molar refractivity data and the Thomas-Reiche-Kuhn sum rule. The DOSD is used to evaluate a variety of isotropic dipole oscillator strength sums, logarithmic dipole oscillator strength sums, and mean excitation energies for the molecule. A pseudo-DOSD for SiH 4 is also presented which is used to obtain reliable results for the isotropic dipole-dipole dispersion energy coefficients C 6, for the interaction of silane with itself and with forty-four other species, and the triple-dipole dispersion energy coefficient C 9 for (SiH 4) 3.

Dipole polarizability, sum rules, mean excitation energies, and long-range dispersion coefficients for buckminsterfullerene C 60

NASA Astrophysics Data System (ADS)

Kumar, Ashok; Thakkar, Ajit J.

2011-11-01

Experimental photoabsorption cross-sections combined with constraints provided by the Kuhn-Reiche-Thomas sum rule and the high-energy behavior of the dipole-oscillator-strength density are used to construct dipole oscillator strength distributions for buckminsterfullerene (C60). The distributions are used to predict dipole sum rules Sk, mean excitation energies Ik, the frequency dependent polarizability, and C6 coefficients for the long-range dipole-dipole interactions of C60 with a variety of atoms and molecules.

Theory and application of high temperature superconducting eddy current probes for nondestructive evaluation

NASA Astrophysics Data System (ADS)

Claycomb, James Ronald

1998-10-01

Several High-T c Superconducting (HTS) eddy current probes have been developed for applications in electromagnetic nondestructive evaluation (NDE) of conducting materials. The probes utilize high-T c SUperconducting Quantum Interference Device (SQUID) magnetometers to detect the fields produced by the perturbation of induced eddy currents resulting from subsurface flaws. Localized HTS shields are incorporated to selectively screen out environmental electromagnetic interference and enable movement of the instrument in the Earth's magnetic field. High permeability magnetic shields are employed to focus flux into, and thereby increase the eddy current density in the metallic test samples. NDE test results are presented, in which machined flaws in aluminum alloy are detected by probes of different design. A novel current injection technique performing NDE of wires using SQUIDs is also discussed. The HTS and high permeability shields are designed based on analytical and numerical finite element method (FEM) calculations presented here. Superconducting and high permeability magnetic shields are modeled in uniform noise fields and in the presence of dipole fields characteristic of flaw signals. Several shield designs are characterized in terms of (1) their ability to screen out uniform background noise fields; (2) the resultant improvement in signal-to-noise ratio and (3) the extent to which dipole source fields are distorted. An analysis of eddy current induction is then presented for low frequency SQUID NDE. Analytical expressions are developed for the induced eddy currents and resulting magnetic fields produced by excitation sources above conducting plates of varying thickness. The expressions derived here are used to model the SQUID's response to material thinning. An analytical defect model is also developed, taking into account the attenuation of the defect field through the conducting material, as well as the current flow around the edges of the flaw. Time harmonic FEM calculations are then used to model the electromagnetic response of eight probe designs, consisting of an eddy current drive coil coupled to a SQUID surrounded by superconducting and/or high permeability magnetic shielding. Simulations are carried out with the eddy current probes located a finite distance above a conducting surface. Results are quantified in terms of shielding and focus factors for each probe design.

schwimmbad: A uniform interface to parallel processing pools in Python

NASA Astrophysics Data System (ADS)

Price-Whelan, Adrian M.; Foreman-Mackey, Daniel

2017-09-01

Many scientific and computing problems require doing some calculation on all elements of some data set. If the calculations can be executed in parallel (i.e. without any communication between calculations), these problems are said to be perfectly parallel. On computers with multiple processing cores, these tasks can be distributed and executed in parallel to greatly improve performance. A common paradigm for handling these distributed computing problems is to use a processing "pool": the "tasks" (the data) are passed in bulk to the pool, and the pool handles distributing the tasks to a number of worker processes when available. schwimmbad provides a uniform interface to parallel processing pools and enables switching easily between local development (e.g., serial processing or with multiprocessing) and deployment on a cluster or supercomputer (via, e.g., MPI or JobLib).

The kinematic dipole in galaxy redshift surveys

NASA Astrophysics Data System (ADS)

Maartens, Roy; Clarkson, Chris; Chen, Song

2018-01-01

In the concordance model of the Universe, the matter distribution—as observed in galaxy number counts or the intensity of line emission (such as the 21cm line of neutral hydrogen) —should have a kinematic dipole due to the Sun's motion relative to the CMB rest-frame. This dipole should be aligned with the kinematic dipole in the CMB temperature. Accurate measurement of the direction of the matter dipole will become possible with future galaxy surveys, and this will be a critical test of the foundations of the concordance model. The amplitude of the matter dipole is also a potential cosmological probe. We derive formulas for the amplitude of the kinematic dipole in galaxy redshift and intensity mapping surveys, taking into account the Doppler, aberration and other relativistic effects. The amplitude of the matter dipole can be significantly larger than that of the CMB dipole. Its redshift dependence encodes information on the evolution of the Universe and on the tracers, and we discuss possible ways to determine the amplitude.

Critical Dipole Length for the Wetting Transition Due to Collective Water-dipoles Interactions

PubMed Central

Wang, Chunlei; Zhou, Bo; Tu, Yusong; Duan, Manyi; Xiu, Peng; Li, Jingye; Fang, Haiping

2012-01-01

The wetting behavior of water on the solid surfaces is fundamental to various physical, chemical and biological processes. Conventionally, the surface with charges or charge dipoles is hydrophilic, whereas the non-polar surface is hydrophobic though some exceptions were recently reported. Using molecular dynamics simulations, we show that there is a critical length of the charge dipoles on the solid surface. The solid surface still exhibited hydrophobic behavior when the dipole length was less than the critical value, indicating that the water molecules on the solid surface seemed not “feel” attractive interactions from the charge dipoles on the solid surface. Those unexpected observations result from the collective interactions between the water molecules and charge dipoles on the solid surface, where the steric exclusion effect between water molecules greatly reduces the water-dipole interactions. Remarkably, the steric exclusion effect is also important for surfaces with charge dipole lengths greater than this critical length. PMID:22496954

Model misspecification detection by means of multiple generator errors, using the observed potential map.

PubMed

Zhang, Z; Jewett, D L

1994-01-01

Due to model misspecification, currently-used Dipole Source Localization (DSL) methods may contain Multiple-Generator Errors (MulGenErrs) when fitting simultaneously-active dipoles. The size of the MulGenErr is a function of both the model used, and the dipole parameters, including the dipoles' waveforms (time-varying magnitudes). For a given fitting model, by examining the variation of the MulGenErrs (or the fit parameters) under different waveforms for the same generating-dipoles, the accuracy of the fitting model for this set of dipoles can be determined. This method of testing model misspecification can be applied to evoked potential maps even when the parameters of the generating-dipoles are unknown. The dipole parameters fitted in a model should only be accepted if the model can be shown to be sufficiently accurate.

Coupling density functional theory to polarizable force fields for efficient and accurate Hamiltonian molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Schwörer, Magnus; Breitenfeld, Benedikt; Tröster, Philipp; Bauer, Sebastian; Lorenzen, Konstantin; Tavan, Paul; Mathias, Gerald

2013-06-01

Hybrid molecular dynamics (MD) simulations, in which the forces acting on the atoms are calculated by grid-based density functional theory (DFT) for a solute molecule and by a polarizable molecular mechanics (PMM) force field for a large solvent environment composed of several 103-105 molecules, pose a challenge. A corresponding computational approach should guarantee energy conservation, exclude artificial distortions of the electron density at the interface between the DFT and PMM fragments, and should treat the long-range electrostatic interactions within the hybrid simulation system in a linearly scaling fashion. Here we describe a corresponding Hamiltonian DFT/(P)MM implementation, which accounts for inducible atomic dipoles of a PMM environment in a joint DFT/PMM self-consistency iteration. The long-range parts of the electrostatics are treated by hierarchically nested fast multipole expansions up to a maximum distance dictated by the minimum image convention of toroidal boundary conditions and, beyond that distance, by a reaction field approach such that the computation scales linearly with the number of PMM atoms. Short-range over-polarization artifacts are excluded by using Gaussian inducible dipoles throughout the system and Gaussian partial charges in the PMM region close to the DFT fragment. The Hamiltonian character, the stability, and efficiency of the implementation are investigated by hybrid DFT/PMM-MD simulations treating one molecule of the water dimer and of bulk water by DFT and the respective remainder by PMM.

Dielectric spectroscopy in aqueous solutions of oligosaccharides: Experiment meets simulation

NASA Astrophysics Data System (ADS)

Weingärtner, Hermann; Knocks, Andrea; Boresch, Stefan; Höchtl, Peter; Steinhauser, Othmar

2001-07-01

We report the frequency-dependent complex dielectric permittivity of aqueous solutions of the homologous saccharides D(+)-glucose, maltose, and maltotriose in the frequency range 200 MHz⩽ν⩽20 GHz. For each solute, solutions having concentrations between 0.01 and 1 mol dm-3 were studied. In all measured spectra two dispersion/loss regions could be discerned. With the exception of the two most concentrated maltotriose solutions, a good description of the spectra by the superposition of two Debye processes was possible. The amplitudes and correlation times of the glucose and maltose solutions determined from fits of the experimental data were compared to those obtained in an earlier molecular dynamics study of such systems; the overall agreement between experiment and simulation is quite satisfactory. A dielectric component analysis of the simulation results permitted a more detailed assignment of the relaxation processes occurring on the molecular level. The physical picture emerging from this analysis is compared with traditional hydration models used in the interpretation of measured dielectric data. It is shown that the usual standard models do not capture an important contribution arising from cross terms due to dipolar interactions between solute and water, as well as between hydration water and bulk water. This finding suggests that conventional approaches to determine molecular dipole moments of the solutes may be problematic. This is certainly the case for solutes with small molecular dipole moments, but strong solute-solvent interactions, such as the saccharides studied here.

The structure and dipole moment of globular proteins in solution and crystalline states: use of NMR and X-ray databases for the numerical calculation of dipole moment.

PubMed

Takashima, S

2001-04-05

The large dipole moment of globular proteins has been well known because of the detailed studies using dielectric relaxation and electro-optical methods. The search for the origin of these dipolemoments, however, must be based on the detailed knowledge on protein structure with atomic resolutions. At present, we have two sources of information on the structure of protein molecules: (1) x-ray databases obtained in crystalline state; (2) NMR databases obtained in solution state. While x-ray databases consist of only one model, NMR databases, because of the fluctuation of the protein folding in solution, consist of a number of models, thus enabling the computation of dipole moment repeated for all these models. The aim of this work, using these databases, is the detailed investigation on the interdependence between the structure and dipole moment of protein molecules. The dipole moment of protein molecules has roughly two components: one dipole moment is due to surface charges and the other, core dipole moment, is due to polar groups such as N--H and C==O bonds. The computation of surface charge dipole moment consists of two steps: (A) calculation of the pK shifts of charged groups for electrostatic interactions and (B) calculation of the dipole moment using the pK corrected for electrostatic shifts. The dipole moments of several proteins were computed using both NMR and x-ray databases. The dipole moments of these two sets of calculations are, with a few exceptions, in good agreement with one another and also with measured dipole moments.

Imaging Radar Studies of Atmospheric Winds and Waves

DTIC Science & Technology

1993-09-02

3*ZAWindow - ZASpread(dir) do 10004 ant - 1,3 0 C "c Test #1: Reject this Doppler frequency if both quadrature "c components are too small on any...dipole) - pd23(dir,dipole) - 2*pi If (pd23(dir,dipole) .At. -pi) 1 pd23(dir,dipole) - pd23(dir,dipole) + 2*pi c "c Tests #2,3,6,&7: The two zenith...thetal+theta2)/2 10098 continue c "c Tests #4 and #8: Both dipoles have separately determined zenith "c angles for one direction. Do these two values

A gaussian model for simulated geomagnetic field reversals

NASA Astrophysics Data System (ADS)

Wicht, Johannes; Meduri, Domenico G.

2016-10-01

Field reversals are the most spectacular events in the geomagnetic history but remain little understood. Here we explore the dipole behaviour in particularly long numerical dynamo simulations to reveal statistically significant conditions required for reversals and excursions to happen. We find that changes in the axial dipole moment behaviour are crucial while the equatorial dipole moment plays a negligible role. For small Rayleigh numbers, the axial dipole always remains strong and stable and obeys a clearly Gaussian probability distribution. Only when the Rayleigh number is increased sufficiently the axial dipole can reverse and its distribution becomes decisively non-Gaussian. Increased likelihoods around zero indicate a pronounced lingering in a new low dipole moment state. Reversals and excursions can only happen when axial dipole fluctuations are large enough to drive the system from the high dipole moment state assumed during stable polarity epochs into the low dipole moment state. Since it is just a matter of chance which polarity is amplified during dipole recovery, reversals and grand excursions, i.e. excursions during which the dipole assumes reverse polarity, are equally likely. While the overall reversal behaviour seems Earth-like, a closer comparison to palaeomagnetic findings suggests that the simulated events last too long and that grand excursions are too rare. For a particularly large Ekman number we find a second but less Earth-like type of reversals where the total field decays and recovers after a certain time.

Electromagnetic toroidal excitations in matter and free space.

PubMed

Papasimakis, N; Fedotov, V A; Savinov, V; Raybould, T A; Zheludev, N I

2016-03-01

The toroidal dipole is a localized electromagnetic excitation, distinct from the magnetic and electric dipoles. While the electric dipole can be understood as a pair of opposite charges and the magnetic dipole as a current loop, the toroidal dipole corresponds to currents flowing on the surface of a torus. Toroidal dipoles provide physically significant contributions to the basic characteristics of matter including absorption, dispersion and optical activity. Toroidal excitations also exist in free space as spatially and temporally localized electromagnetic pulses propagating at the speed of light and interacting with matter. We review recent experimental observations of resonant toroidal dipole excitations in metamaterials and the discovery of anapoles, non-radiating charge-current configurations involving toroidal dipoles. While certain fundamental and practical aspects of toroidal electrodynamics remain open for the moment, we envision that exploitation of toroidal excitations can have important implications for the fields of photonics, sensing, energy and information.

Huygens’ Metasurfaces Enabled by Magnetic Dipole Resonance Tuning in Split Dielectric Nanoresonators

DOE PAGES

Liu, Sheng; Vaskin, Aleksandr; Campione, Salvatore; ...

2017-06-07

Dielectric metasurfaces that exploit the different Mie resonances of nanoscale dielectric resonators are a powerful platform for manipulating electromagnetic fields and can provide novel optical behavior. Here in this work, we experimentally demonstrate independent tuning of the magnetic dipole resonances relative to the electric dipole resonances of split dielectric resonators (SDRs). By increasing the split dimension, we observe a blue shift of the magnetic dipole resonance toward the electric dipole resonance. Therefore, SDRs provide the ability to directly control the interaction between the two dipole resonances within the same resonator. For example, we achieve the first Kerker condition by spectrallymore » overlapping the electric and magnetic dipole resonances and observe significantly suppressed backward scattering. Moreover, we show that a single SDR can be used as an optical nanoantenna that provides strong unidirectional emission from an electric dipole source.« less

Dual frequency, dual polarized, multi-layered microstrip slot and dipole array antenna

NASA Technical Reports Server (NTRS)

Tulintseff, Ann N. (Inventor)

1995-01-01

An antenna array system is disclosed which uses subarrays of slots and subarrays of dipoles on separate planes. The slots and dipoles respectively are interleaved, which is to say there is minimal overlap between them. Each subarray includes a microstrip transmission line and a plurality of elements extending perpendicular thereto. The dipoles form the transmission elements and the slots form the receive elements. The plane in which the slots are formed also forms a ground plane for the dipoles--hence the feed to the dipole is on the opposite side of this ground plane as the feed to the slots. HPAs are located adjacent the dipoles on one side of the substrate and LNAs are located adjacent the slots on the other side of the substrate. The dipoles and slots are tuned by setting different offsets between each element and the microstrip transmission line.

Innovative Long Wavelength Infrared Detector Workshop Proceedings

DTIC Science & Technology

1995-12-01

passivation approaches: - ZnS, S102 - Native ( anodic ) oxide , sulphide or fluoride - Wide-gap HgCd1Te 64 The Hg,.Cd.T Semiconductor Alay Systm...distribution of minor atmospheric gases such as methanle, carbon monoxide and nitrous oxide . & Surface albedo. 9. Snow and ice cover. 10. Outgoing long...bulk-grown Hg,.Cd.Te material: x - uniformity: Ax = ± 0.0005 -, A (77 K, 12.5 ,m) ± 0.1 Am Electrical purity: I x 10" cm-f "* Passivation by anodic

Development of Highly Sensitive Bulk Acoustic Wave Device Biosensor Arrays for Screening and Early Detection of Prostate Cancer

DTIC Science & Technology

2008-01-01

phase biosensor. Zinc oxide (ZnO) yielded results far superior to the tantalum pentoxide ( Ta2O5 ) alternative that was attempted. Preliminary results...secondary crosslinking with GMBS was performed for ZnO surfaces coated with MTS and MPA. To provide visual confirmation of the density and uniformity of...contained 8 devices coated with the same antibody species. Fluoroscein Isothyocyanate (FITC) was selected as the negative control since FITC is a

Application of vitreous and graphitic large-area carbon surfaces as field-emission cathodes

NASA Astrophysics Data System (ADS)

Hunt, Charles E.; Wang, Yu

2005-09-01

Numerous carbon bulk or thin-film materials have been used as field-emission cathodes. Most of these can be made into large-area and high-current field-emission cathodes without the use of complex IC fabrication techniques. Some of these exhibit low-extraction field, low work-function, high ruggedness, chemical stability, uniform emission, and low-cost manufacturability. A comparison of all of these materials is presented. Two viable cathode materials, reticulated vitreous carbon (RVC) and graphite paste are examined here and compared.

Electric dipole polarizability from first principles calculations

DOE PAGES

Miorelli, M.; Bacca, S.; Barnea, N.; ...

2016-09-19

The electric dipole polarizability quantifies the low-energy behavior of the dipole strength and is related to critical observables such as the radii of the proton and neutron distributions. Its computation is challenging because most of the dipole strength lies in the scattering continuum. In our paper we combine integral transforms with the coupled-cluster method and compute the dipole polarizability using bound-state techniques. Furthermore, employing different interactions from chiral effective field theory, we confirm the strong correlation between the dipole polarizability and the charge radius, and study its dependence on three-nucleon forces. Finally, we find good agreement with data for themore » 4He, 40Ca, and 16O nuclei, and predict the dipole polarizability for the rare nucleus 22O.« less

Gravitational dynamos and the low-frequency geomagnetic secular variation.

PubMed

Olson, P

2007-12-18

Self-sustaining numerical dynamos are used to infer the sources of low-frequency secular variation of the geomagnetic field. Gravitational dynamo models powered by compositional convection in an electrically conducting, rotating fluid shell exhibit several regimes of magnetic field behavior with an increasing Rayleigh number of the convection, including nearly steady dipoles, chaotic nonreversing dipoles, and chaotic reversing dipoles. The time average dipole strength and dipolarity of the magnetic field decrease, whereas the dipole variability, average dipole tilt angle, and frequency of polarity reversals increase with Rayleigh number. Chaotic gravitational dynamos have large-amplitude dipole secular variation with maximum power at frequencies corresponding to a few cycles per million years on Earth. Their external magnetic field structure, dipole statistics, low-frequency power spectra, and polarity reversal frequency are comparable to the geomagnetic field. The magnetic variability is driven by the Lorentz force and is characterized by an inverse correlation between dynamo magnetic and kinetic energy fluctuations. A constant energy dissipation theory accounts for this inverse energy correlation, which is shown to produce conditions favorable for dipole drift, polarity reversals, and excursions.

Gravitational dynamos and the low-frequency geomagnetic secular variation

PubMed Central

Olson, P.

2007-01-01

Self-sustaining numerical dynamos are used to infer the sources of low-frequency secular variation of the geomagnetic field. Gravitational dynamo models powered by compositional convection in an electrically conducting, rotating fluid shell exhibit several regimes of magnetic field behavior with an increasing Rayleigh number of the convection, including nearly steady dipoles, chaotic nonreversing dipoles, and chaotic reversing dipoles. The time average dipole strength and dipolarity of the magnetic field decrease, whereas the dipole variability, average dipole tilt angle, and frequency of polarity reversals increase with Rayleigh number. Chaotic gravitational dynamos have large-amplitude dipole secular variation with maximum power at frequencies corresponding to a few cycles per million years on Earth. Their external magnetic field structure, dipole statistics, low-frequency power spectra, and polarity reversal frequency are comparable to the geomagnetic field. The magnetic variability is driven by the Lorentz force and is characterized by an inverse correlation between dynamo magnetic and kinetic energy fluctuations. A constant energy dissipation theory accounts for this inverse energy correlation, which is shown to produce conditions favorable for dipole drift, polarity reversals, and excursions. PMID:18048345

Reference hypernetted chain theory for ferrofluid bilayer: Distribution functions compared with Monte Carlo

NASA Astrophysics Data System (ADS)

Polyakov, Evgeny A.; Vorontsov-Velyaminov, Pavel N.

2014-08-01

Properties of ferrofluid bilayer (modeled as a system of two planar layers separated by a distance h and each layer carrying a soft sphere dipolar liquid) are calculated in the framework of inhomogeneous Ornstein-Zernike equations with reference hypernetted chain closure (RHNC). The bridge functions are taken from a soft sphere (1/r12) reference system in the pressure-consistent closure approximation. In order to make the RHNC problem tractable, the angular dependence of the correlation functions is expanded into special orthogonal polynomials according to Lado. The resulting equations are solved using the Newton-GRMES algorithm as implemented in the public-domain solver NITSOL. Orientational densities and pair distribution functions of dipoles are compared with Monte Carlo simulation results. A numerical algorithm for the Fourier-Hankel transform of any positive integer order on a uniform grid is presented.

High brightness electron accelerator

DOEpatents

Sheffield, Richard L.; Carlsten, Bruce E.; Young, Lloyd M.

1994-01-01

A compact high brightness linear accelerator is provided for use, e.g., in a free electron laser. The accelerator has a first plurality of acclerating cavities having end walls with four coupling slots for accelerating electrons to high velocities in the absence of quadrupole fields. A second plurality of cavities receives the high velocity electrons for further acceleration, where each of the second cavities has end walls with two coupling slots for acceleration in the absence of dipole fields. The accelerator also includes a first cavity with an extended length to provide for phase matching the electron beam along the accelerating cavities. A solenoid is provided about the photocathode that emits the electons, where the solenoid is configured to provide a substantially uniform magnetic field over the photocathode surface to minimize emittance of the electons as the electrons enter the first cavity.

Flow produced by a free-moving floating magnet driven electromagnetically

NASA Astrophysics Data System (ADS)

Piedra, Saúl; Román, Joel; Figueroa, Aldo; Cuevas, Sergio

2018-04-01

The flow generated by a free-moving magnet floating in a thin electrolyte layer is studied experimentally and numerically. The magnet is dragged by a traveling vortex dipole produced by a Lorentz force created when a uniform dc current injected in the electrolyte interacts with the magnetic field of the same magnet. The problem represents a typical case of fluid-solid interaction but with a localized electromagnetic force promoting the motion. Classical wake flow structures are observed when the applied current varies in the range of 0.2 to 10 A. Velocity fields at the surface of the electrolyte are obtained for different flow conditions through particle image velocimetry. Quasi-two-dimensional numerical simulations, based on the immersed boundary technique that incorporates the fluid-solid interaction, reproduce satisfactorily the dynamics observed in the experiments.

Uniform hydrogen fuel layers for inertial fusion targets by microgravity

NASA Technical Reports Server (NTRS)

Parks, P. B.; Fagaly, Robert L.

1994-01-01

A critical concern in the fabrication of targets for inertial confinement fusion (ICF) is ensuring that the hydrogenic (D(sub 2) or DT) fuel layer maintains spherical symmetry. Solid layered targets have structural integrity, but lack the needed surface smoothness. Liquid targets are inherently smooth, but suffer from gravitationally induced sagging. One method to reduce the effective gravitational field environment is freefall insertion into the target chamber. Another method to counterbalance field gravitational force is to use an applied magnetic field combined with a gradient field to induce a magnetic dipole force on the liquid fuel layer. Based on time dependent calculations of the dynamics of the liquid fuel layer in microgravity environments, we show that it may be possible to produce a liquid layered ICF target that satisfies both smoothness and symmetry requirements.

The roles of molecular structure and effective optical symmetry in evolving dipolar chromophoric building blocks to potent octopolar nonlinear optical chromophores.

PubMed

Ishizuka, Tomoya; Sinks, Louise E; Song, Kai; Hung, Sheng-Ting; Nayak, Animesh; Clays, Koen; Therien, Michael J

2011-03-09

A series of mono-, bis-, tris-, and tetrakis(porphinato)zinc(II) (PZn)-elaborated ruthenium(II) bis(terpyridine) (Ru) complexes have been synthesized in which an ethyne unit connects the macrocycle meso carbon atom to terpyridyl (tpy) 4-, 4'-, and 4''-positions. These supermolecular chromophores, based on the ruthenium(II) [5-(4'-ethynyl-(2,2';6',2''-terpyridinyl))-10,20-bis(2',6'-bis(3,3-dimethyl-1-butyloxy)phenyl)porphinato]zinc(II)-(2,2';6',2''-terpyridine)(2+) bis-hexafluorophosphate (RuPZn) archetype, evince strong mixing of the PZn-based oscillator strength with ruthenium terpyridyl charge resonance bands. Potentiometric and linear absorption spectroscopic data indicate that for structures in which multiple PZn moieties are linked via ethynes to a [Ru(tpy)(2)](2+) core, little electronic coupling is manifest between PZn units, regardless of whether they are located on the same or opposite tpy ligand. Congruent with these experiments, pump-probe transient absorption studies suggest that the individual RuPZn fragments of these structures exhibit, at best, only modest excited-state electronic interactions that derive from factors other than the dipole-dipole interactions of these strong oscillators; this approximate independent character of the component RuPZn oscillators enables fabrication of nonlinear optical (NLO) multipoles with extraordinary hyperpolarizabilities. Dynamic hyperpolarizability (β(λ)) values and depolarization ratios (ρ) were determined from hyper-Rayleigh light scattering (HRS) measurements carried out at an incident irradiation wavelength (λ(inc)) of 1300 nm. The depolarization ratio data provide an experimental measure of chromophore optical symmetry; appropriate coupling of multiple charge-transfer oscillators produces structures having enormous averaged hyperpolarizabilities (β(HRS) values), while evolving the effective chromophore symmetry from purely dipolar (e.g., Ru(tpy)[4-(Zn-porphyrin)ethynyl-tpy](PF(6))(2), β(HRS) = 1280 × 10(-30) esu, ρ = 3.8; Ru(tpy)[4'-(Zn-porphyrin)ethynyl-tpy](PF(6))(2), β(HRS) = 2100 × 10(-30) esu, ρ = 3.8) to octopolar (e.g., Ru[4,4''-bis(Zn-porphyrin)ethynyl-tpy](2)(PF(6))(2), β(HRS) = 1040 × 10(-30) esu, ρ = 1.46) via structural motifs that possess intermediate values of the depolarization ratio. The chromophore design roadmap provided herein gives rise to octopolar supermolecules that feature by far the largest off-diagonal octopolar first hyperpolarizability tensor components ever reported, with the effectively octopolar Ru[4,4''-bis(Zn-porphyrin)ethynyl-tpy](2)(PF(6))(2) possessing a β(HRS) value at 1300 nm more than a factor of 3 larger than that determined for any chromophore having octopolar symmetry examined to date. Because NLO octopoles possess omnidirectional NLO responses while circumventing the electrostatic interactions that drive bulk-phase centrosymmetry for NLO dipoles at high chromophore concentrations, the advent of octopolar NLO chromophores having vastly superior β(HRS) values at technologically important wavelengths will motivate new experimental approaches to achieve acentric order in both bulk-phase and thin film structures.

Magnetic fields for transporting charged beams

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

Parzen, G.

1976-01-01

The transport of charged particle beams requires magnetic fields that must be shaped correctly and very accurately. During the last 20 years or so, many studies have been made, both analytically and through the use of computer programs, of various magnetic shapes that have proved to be useful. Many of the results for magnetic field shapes can be applied equally well to electric field shapes. A report is given which gathers together the results that have more general significance and would be useful in designing a configuration to produce a desired magnetic field shape. The field shapes studied include themore » fields in dipoles, quadrupoles, sextupoles, octupoles, septum magnets, combined-function magnets, and electrostatic septums. Where possible, empirical formulas are proposed, based on computer and analytical studies and on magnetic field measurements. These empirical formulas are often easier to use than analytical formulas and often include effects that are difficult to compute analytically. In addition, results given in the form of tables and graphs serve as illustrative examples. The field shapes studied include uniform fields produced by window-frame magnets, C-magnets, H-magnets, and cosine magnets; linear fields produced by various types of quadrupoles; quadratic and cubic fields produced by sextupoles and octupoles; combinations of uniform and linear fields; and septum fields with sharp boundaries.« less

Heavy-ion conformal irradiation in the shallow-seated tumor therapy terminal at HIRFL.

PubMed

Li, Qiang; Dai, Zhongying; Yan, Zheng; Jin, Xiaodong; Liu, Xinguo; Xiao, Guoqing

2007-11-01

Basic research related to heavy-ion cancer therapy has been done at the Institute of Modern Physics (IMP), Chinese Academy of Sciences since 1995. Now a plan of clinical trial with heavy ions has been launched at IMP. First, superficially placed tumor treatment with heavy ions is expected in the therapy terminal at the Heavy Ion Research Facility in Lanzhou (HIRFL), where carbon ion beams with energy up to 100 MeV/u can be supplied. The shallow-seated tumor therapy terminal at HIRFL is equipped with a passive beam delivery system including two orthogonal dipole magnets, which continuously scan pencil beams laterally and generate a broad and uniform irradiation field, a motor-driven energy degrader and a multi-leaf collimator. Two different types of range modulator, ripple filter and ridge filter with which Guassian-shaped physical dose and uniform biological effective dose Bragg peaks can be shaped for therapeutic ion beams respectively, have been designed and manufactured. Therefore, two-dimensional and three-dimensional conformal irradiations to tumors can be performed with the passive beam delivery system at the earlier therapy terminal. Both the conformal irradiation methods have been verified experimentally and carbon-ion conformal irradiations to patients with superficially placed tumors have been carried out at HIRFL since November 2006.

Direct spectroscopic evidence for competition between thermal molecular agitation and magnetic field in a tetrameric protein in aqueous solution

NASA Astrophysics Data System (ADS)

Calabrò, Emanuele; Magazù, Salvatore

2018-05-01

Samples of a typical tetrameric protein, the hemoglobin, at the concentration of 150 mg/ml in bidistilled water solution, were exposed to a uniform magnetic field at 200 mT at different temperatures of 15∘C, 40∘C and 65∘C. Fourier Transform Infrared Spectroscopy was used to analyze the response of the secondary structure of the protein to both stress agents, heating and static magnetic field. The most relevant result which was observed was the significant increasing in intensity of the Amide I band after exposure to the uniform magnetic field at the room temperature of 15∘C. This result can be explained assuming that protein's α-helices aligned along the direction of the applied magnetic field due to their large dipole moment, inducing the alignment of the entire protein. Increasing of temperature up to 40∘C and 65∘C induced a significant reduction of the increasing in intensity of the Amide I band. This effect may be easily explained assuming that Brownian motion of the protein in water solution caused by thermal molecular agitation increased with increasing of temperature, contrasting the effect of the torque of the magnetic field applied to the protein in water solution.

Initial-state colour dipole emission associated with QCD Pomeron exchange

NASA Astrophysics Data System (ADS)

Bialas, A.; Peschanski, R.

1995-02-01

The initial-state radiation of soft colour dipoles produced together with a single QCD Pomeron exchange (BFKL) in onium-onium scattering is calculated in the framework of Mueller's approach. The resulting dipole production grows with increasing energy and reveals an unexpected feature of a power-law tail at appreciably large transverse distances from the collision axis, this phenomenon being related to the scale-invariant structure of dipole-dipole correlations.

Dipole-dipole interactions in a hot atomic vapor and in an ultracold gas of Rydberg atoms

NASA Astrophysics Data System (ADS)

Sautenkov, V. A.; Saakyan, S. A.; Bronin, S. Ya; Klyarfeld, A. B.; Zelener, B. B.; Zelener, B. V.

2018-01-01

In our paper ideal and non-ideal gas media of neutral atoms are analyzed. The first we discuss a dipole broadening of atomic transitions in excited dilute and dense metal vapors. Then the theoretical studies of the dipole-dipole interactions in dense ultracold gas of Rydberg atoms are considered. Possible future experiments on a base of our experimental arrangement are suggested.

A new dipole index of the salinity anomalies of the tropical Indian Ocean.

PubMed

Li, Junde; Liang, Chujin; Tang, Youmin; Dong, Changming; Chen, Dake; Liu, Xiaohui; Jin, Weifang

2016-04-07

With the increased interest in studying the sea surface salinity anomaly (SSSA) of the tropical Indian Ocean during the Indian Ocean Dipole (IOD), an index describing the dipole variability of the SSSA has been pursued recently. In this study, we first use a regional ocean model with a high spatial resolution to produce a high-quality salinity simulation during the period from 1982 to 2014, from which the SSSA dipole structure is identified for boreal autumn. On this basis, by further analysing the observed data, we define a dipole index of the SSSA between the central equatorial Indian Ocean (CEIO: 70°E-90°E, 5°S-5°N) and the region off the Sumatra-Java coast (SJC: 100°E-110°E, 13°S-3°S). Compared with previous SSSA dipole indices, this index has advantages in detecting the dipole signals and in characterizing their relationship to the sea surface temperature anomaly (SSTA) dipole variability. Finally, the mechanism of the SSSA dipole is investigated by dynamical diagnosis. It is found that anomalous zonal advection dominates the SSSA in the CEIO region, whereas the SSSA in the SJC region are mainly influenced by the anomalous surface freshwater flux. This SSSA dipole provides a positive feedback to the formation of the IOD events.

Dipolar interactions and miscibility in binary Langmuir monolayers with opposite dipole moments of the hydrophilic heads.

PubMed

Petrov, Jordan G; Andreeva, Tonya D; Moehwald, Helmuth

2009-04-09

We investigate unusual binary Langmuir monolayers with the same long CH3(CH2)21 hydrocarbon chains and fluorinated -O-CH2CF3 (FEE) versus nonfluorinated -O-CH2CH3 (EE) hydrophilic heads, whose opposite dipoles assist miscibility, in contrast to the equally oriented polar head dipoles of almost all natural or synthetic amphiphiles that minister to phase separation. Although two-component bulk micelles, lipid bilayers, and monolayers with fluorinated and nonfluorinated chains, which also have opposite dipoles, often show phase separation, we find complete miscibility and nonideality of the FEE-EE mixtures demonstrated via deviation of the composition dependencies of the mean molecular area at fixed surface pressure from the additivity rule. The composition dependencies of the excess molecular areas exhibit minima and maxima which show specific structural changes at particular compositions. They originate from the dipolar and steric interactions between the polar heads, because the interactions between the same chains of FEE and EE do not vary. The pi/A isotherms and the pi/X(FEE) phase diagram reveal that mixtures with molar fractions X(FEE) > or = 0.3 exist in an upright solid phase even in uncompressed state. This result is confirmed by the compressibility values and via Brewster angle microscopy, which does not show optical anisotropy at X(FEE) > or = 0.3. Comparison of the collapse and phase-transition molecular areas with literature data suggests that the upright architecture corresponds to LS-phase or S-phase with more defects as the S-phase in the pure monolayers. The mixtures with X(FEE) < 0.3 exist in tilted L2' phase at low surface pressures. Their mean molecular areas are smaller than the corresponding values in the EE film, which manifests reduction of the tilt of the EE chains with increasing FEE content. We ascribe the chain erection to partial dehydration of the EE heads caused by dipolar attraction between the EE and FEE heads. The excess free energy of mixing deltaG(exc)pi is positive but much smaller than the negative total free energy of mixing AG mix(pi) showing a spontaneous miscibility at all compositions due to an entropy increase. The analysis of the conflict between the deltaG(mix)pi minimum at molar fraction X(FEE) = 0.5 and the minimum and negative value of the excess molecular area A(pi,exc) at X(FEE) = 0.8 shows that the A(pi,exc)/X(FEE) minimum has not an electrostatic but a short-range structural origin.

Eutectic Nano-Droplet Template Injection into Bulk Silicon to Construct Porous Frameworks with Concomitant Conformal Coating as Anodes for Li-Ion Batteries

PubMed Central

Qu, Fei; Li, Chilin; Wang, Zumin; Wen, Yuren; Richter, Gunther; Strunk, Horst P.

2015-01-01

Building porosity in monolithic materials is highly desired to design 3D electrodes, however ex-situ introduction or in-situ generation of nano-scale sacrificial template is still a great challenge. Here Al-Si eutectic droplet templates are uniformly injected into bulk Si through Al-induced solid-solid convection to construct a highly porous Si framework. This process is concomitant with process-inherent conformal coating of ion-conductive oxide. Such an all-in-one method has generated a (continuously processed) high-capacity Si anode integrating longevity and stable electrolyte-anode diaphragm for Li-ion batteries (e.g. a reversible capacity as large as ~1800 mAh/g or ~350 μAh/cm2-μm with a CE of ~99% at 0.1 C after long-term 400 cycles). PMID:25988370

Simulations of induced-charge electro-osmosis in microfluidic devices

NASA Astrophysics Data System (ADS)

Ben, Yuxing

2005-03-01

Theories of nonlinear electrokinetic phenomena generally assume a uniform, neutral bulk electroylte in contact with a polarizable thin double layer near a metal or dielectric surface, which acts as a "capacitor skin". Induced-charge electro-osmosis (ICEO) is the general effect of nonlinear electro-osmotic slip, when an applied electric field acts on its own induced (diffuse) double-layer charge. In most theoretical and experimental work, ICEO has been studied in very simple geometries, such as colloidal spheres and planar, periodic micro-electrode arrays. Here we use finite-element simulations to predict how more complicated geometries of polarizable surfaces and/or electrodes yield flow profiles with subtle dependence on the amplitude and frequency of the applied voltage. We also consider how the simple model equations break down, due to surface conduction, bulk diffusion, and concentration polarization, for large applied voltages (as in most experiments).

Eutectic nano-droplet template injection into bulk silicon to construct porous frameworks with concomitant conformal coating as anodes for Li-ion batteries.

PubMed

Qu, Fei; Li, Chilin; Wang, Zumin; Wen, Yuren; Richter, Gunther; Strunk, Horst P

2015-05-19

Building porosity in monolithic materials is highly desired to design 3D electrodes, however ex-situ introduction or in-situ generation of nano-scale sacrificial template is still a great challenge. Here Al-Si eutectic droplet templates are uniformly injected into bulk Si through Al-induced solid-solid convection to construct a highly porous Si framework. This process is concomitant with process-inherent conformal coating of ion-conductive oxide. Such an all-in-one method has generated a (continuously processed) high-capacity Si anode integrating longevity and stable electrolyte-anode diaphragm for Li-ion batteries (e.g. a reversible capacity as large as ~1800 mAh/g or ~350 μAh/cm(2)-μm with a CE of ~99% at 0.1 C after long-term 400 cycles).

Mathematical modeling of hydrolysate diffusion and utilization in cellulolytic biofilms of the extreme thermophile Caldicellulosiruptor obsidiansis.

PubMed

Wang, Zhi-Wu; Hamilton-Brehm, Scott D; Lochner, Adriane; Elkins, James G; Morrell-Falvey, Jennifer L

2011-02-01

In this study, a hydrolysate diffusion and utilization model was developed to examine factors influencing cellulolytic biofilm morphology. Model simulations using Caldicellulosiruptor obsidiansis revealed that the cellulolytic biofilm needs to generate more hydrolysate than it consumes to establish a higher than bulk solution intra-biofilm substrate concentration to support its growth. This produces a hydrolysate surplus that diffuses through the thin biofilm structure into the bulk solution, which gives rise to a uniform growth rate and hence the homogeneous morphology of the cellulolytic biofilm. Model predictions were tested against experimental data from a cellulose-fermenting bioreactor and the results were consistent with the model prediction and indicated that only a small fraction (10-12%) of the soluble hydrolysis products are utilized by the biofilm. The factors determining the rate-limiting step of cellulolytic biofilm growth are also analyzed and discussed. Copyright © 2010 Elsevier Ltd. All rights reserved.

Design and Test of Magnetic Wall Decoupling for Dipole Transmit/Receive Array for MR Imaging at the Ultrahigh Field of 7T.

PubMed

Yan, Xinqiang; Zhang, Xiaoliang; Wei, Long; Xue, Rong

2015-01-01

Radio-frequency coil arrays using dipole antenna technique have been recently applied for ultrahigh field magnetic resonance (MR) imaging to obtain the better signal-noise-ratio (SNR) gain at the deep area of human tissues. However, the unique structure of dipole antennas makes it challenging to achieve sufficient electromagnetic decoupling among the dipole antenna elements. Currently, there is no decoupling methods proposed for dipole antenna arrays in MR imaging. The recently developed magnetic wall (MW) or induced current elimination decoupling technique has demonstrated its feasibility and robustness in designing microstrip transmission line arrays, L/C loop arrays and monopole arrays. In this study, we aim to investigate the possibility and performance of MW decoupling technique in dipole arrays for MR imaging at the ultrahigh field of 7T. To achieve this goal, a two-channel MW decoupled dipole array was designed, constructed and analyzed experimentally through bench test and MR imaging. Electromagnetic isolation between the two dipole elements was improved from about -3.6 dB (without any decoupling treatments) to -16.5 dB by using the MW decoupling method. MR images acquired from a water phantom using the MW decoupled dipole array and the geometry factor maps were measured, calculated and compared with those acquired using the dipole array without decoupling treatments. The MW decoupled dipole array demonstrated well-defined image profiles from each element and had better geometry factor over the array without decoupling treatments. The experimental results indicate that the MW decoupling technique might be a promising solution to reducing the electromagnetic coupling of dipole arrays in ultrahigh field MRI, consequently improving their performance in SNR and parallel imaging.

Computer Simulation of Magnetic Nova Shell Expantion

NASA Astrophysics Data System (ADS)

Dudnikova, Galina; Nikitin, Sergei; Snytnikov, Valeri; Vshivkov, Vitali

2000-10-01

An asymmetrical character of the shell expantion observed at many Nova may be associated with infuence of an inherent star magnetic field. Magneto-dipole energy of a Nova is much less than a kinetic energy of an exploding envelope. By this reason the conventional hydrodynamic models of point-like explosion with a spherical outward-directed shock wave do not consider effect of star magnetic field on the plasma movement. We used the numerical model based on the system of equations of the hybrid type( MHD approximation for electrons and Vlasov kinetic equations for ions). PIC-method for solving Vlasov equations was used. It gives an opportunaty to consider a complicated multi-flow motion of particles in plasma at super-Alfven velocity. At the beginning there is an immobile (cold) background plasma of a homogeneous concentration in a cylindrical region with a dipole magnetic field. Into the central spherical region of radius R, where the magnetic field remains uniform and constant , the external plasma does not penetrate with elastic reflections of ions at the spherical core surface. This boundary is spaced at r<

Dipole-relaxation parameters for Ce3+-Fint- complexes in CaF2:Ce and CaF2:Ce,Mn

NASA Astrophysics Data System (ADS)

Jassemnejad, B.; McKeever, S. W. S.

1987-12-01

Dipole-relaxation parameters for Ce3+-Fint- centers (C4v symmetry) in CaF2 are calculated using the method of ionic thermocurrents (ITC). The data indicate concentration-dependent effects if analyzed using the traditional ITC equation, assuming a single value for the reorientation activation energy. This analysis is unable to account for an observed broadening of the ITC peak as more Ce is added to the crystals. However, as has been published for other MF2:R3+ systems, we find that the broadening can be successfully accounted for by adopting a modified ITC equation which allows for a Gaussian distribution of activation energies about a mean value E0 and with a distribution width p. The parameter E0 is found to be independent of dipole content while p is found to increase with increasing dipole concentration. The data are consistent with a perturbation of the dipole-relaxation parameters due to interactions with other defects within the system. However, the strength of the observed effects is difficult to explain by invoking electrostatic dipole-dipole interactions only. Other perturbations, due perhaps to monopole-dipole interactions or elastic interactions, must be taking place. The data indicate that dipole concentrations calculated by ITC will be in error in the presence of such interactions due to a reduction in the mean contribution per dipole to the overall polarization density. For samples in which interaction effects are negligible, we calculate a dipole moment of 3.12×10-29 C m. The data further indicate that that the addition of Mn to the system causes a decrease in the interaction effects via a reduction in the Ce C4v center dipole moment. It appears that the broadening of the ITC curve is sensitive to the defect structure surrounding the dipoles.

Equivalent source modeling of the core magnetic field using magsat data

NASA Technical Reports Server (NTRS)

Mayhew, M. A.; Estes, R. H.

1983-01-01

Experiments are carried out on fitting the main field using different numbers of equivalent sources arranged in equal area at fixed radii at and inside the core-mantle boundary. In fixing the radius for a given series of runs, the convergence problems that result from the extreme nonlinearity of the problem when dipole positions are allowed to vary are avoided. Results are presented from a comparison between this approach and the standard spherical harmonic approach for modeling the main field in terms of accuracy and computational efficiency. The modeling of the main field with an equivalent dipole representation is found to be comparable to the standard spherical harmonic approach in accuracy. The 32 deg dipole density (42 dipoles) corresponds approximately to an eleventh degree/order spherical harmonic expansion (143 parameters), whereas the 21 dipole density (92 dipoles) corresponds to approximately a seventeenth degree and order expansion (323 parameters). It is pointed out that fixing the dipole positions results in rapid convergence of the dipole solutions for single-epoch models.

Single image non-uniformity correction using compressive sensing

NASA Astrophysics Data System (ADS)

Jian, Xian-zhong; Lu, Rui-zhi; Guo, Qiang; Wang, Gui-pu

2016-05-01

A non-uniformity correction (NUC) method for an infrared focal plane array imaging system was proposed. The algorithm, based on compressive sensing (CS) of single image, overcame the disadvantages of "ghost artifacts" and bulk calculating costs in traditional NUC algorithms. A point-sampling matrix was designed to validate the measurements of CS on the time domain. The measurements were corrected using the midway infrared equalization algorithm, and the missing pixels were solved with the regularized orthogonal matching pursuit algorithm. Experimental results showed that the proposed method can reconstruct the entire image with only 25% pixels. A small difference was found between the correction results using 100% pixels and the reconstruction results using 40% pixels. Evaluation of the proposed method on the basis of the root-mean-square error, peak signal-to-noise ratio, and roughness index (ρ) proved the method to be robust and highly applicable.

Reload of an industrial cylindrical cobalt source rack

NASA Astrophysics Data System (ADS)

Gharbi, F.; Kadri, O.; Trabelsi, A.

2006-10-01

This work presents a Monte Carlo study of the cylindrical cobalt source rack geometry of the Tunisian gamma irradiation facility, using the GEANT code developed at CERN. The study investigates the question of the reload of the source rack. The studied configurations consist in housing four new cobalt pencils, two in the upper and two in the lower cylinder of the source rack. Global dose rate uniformity inside a "dummy" product for the case of routine and nonroutine irradiation, and as function of the product bulk density, was calculated for eight hypothetical configurations. The same calculation was also performed for both of the original and the ideal (but not practical) configurations. It was shown that hypothetical cases produced dose uniformity variations, according to product density, that were statistically no different than the original and the ideal configurations and that the reload procedure cannot improve the irradiation quality inside the facilities using cylindrical cobalt source racks.

Quasi-one-dimensional arrangement of silver nanoparticles templated by cellulose microfibrils.

PubMed

Wu, Min; Kuga, Shigenori; Huang, Yong

2008-09-16

We demonstrate a simple, facile approach to the deposition of silver nanoparticles on the surface of cellulose microfibrils with a quasi-one-dimensional arrangement. The process involves the generation of aldehyde groups by oxidizing the surface of cellulose microfibrils and then the assembly of silver nanoparticles on the surface by means of the silver mirror reaction. The linear nature of the microfibrils and the relatively uniform surface chemical modification result in a uniform linear distribution of silver particles along the microfibrils. The effects of various reaction parameters, such as the reaction time for the reduction process and employed starting materials, have been investigated by transmission electron microscopy (TEM) and ultraviolet-visible spectroscopy. Additionally, the products were examined for their electric current-voltage characteristics, the results showing that these materials had an electric conductivity of approximately 5 S/cm, being different from either the oxidated cellulose or bulk silver materials by many orders of magnitude.

Self-assembly Columnar Structure in Active Layer of Bulk Heterojunction Solar Cell

NASA Astrophysics Data System (ADS)

Pan, Cheng; Segui, Jennifer; Yu, Yingjie; Li, Hongfei; Akgun, Bulent; Satijia, Sushil. K.; Gersappe, Dilip; Nam, Chang-Yong; Rafailovich, Miriam

2012-02-01

Bulk Heterojunction (BHJ) polymer solar cells are an area of intense interest due to their flexibility and relatively low cost. However, due to the disordered inner structure in active layer, the power conversion efficiency of BHJ solar cell is relatively low. Our research provides the method to produce ordered self-assembly columnar structure within active layer of bulk heterojunction (BHJ) solar cell by introducing polystyrene (PS) into the active layer. The blend thin film of polystyrene, poly (3-hexylthiophene-2,5-diyl) (P3HT) and [6,6]-phenyl C61 butyric acid methyl ester (PCBM) at different ratio are spin coated on substrate and annealed in vacuum oven for certain time. Atomic force microscopy (AFM) images show uniform phase segregation on the surface of polymer blend thin film and highly ordered columnar structure is then proven by etching the film with ion sputtering. TEM cross-section technology is also used to investigate the column structure. Neutron reflectometry was taken to establish the confinement of PCBM at the interface of PS and P3HT. The different morphological structures formed via phase segregation will be correlated with the performance of the PEV cells to be fabricated at the BNL-CFN.

New insights on the synthesis and electronic transport in bulk polycrystalline Pr-doped SrTiO3-δ

NASA Astrophysics Data System (ADS)

Dehkordi, Arash Mehdizadeh; Bhattacharya, Sriparna; Darroudi, Taghi; Alshareef, Husam N.; Tritt, Terry M.

2015-02-01

Recently, we have reported a significant enhancement in the electronic and thermoelectric properties of bulk polycrystalline SrTiO3 ceramics via praseodymium doping. This improvement was originated from the simultaneous enhancement in the thermoelectric power factor and reduction in thermal conductivity, which was contributed to the non-uniform distribution of Pr dopants. In order to further understand the underlying mechanism, we herein investigate the role of praseodymium doping source (Pr2O3 versus Pr6O11) on the synthesis and electronic transport in Pr-doped SrTiO3 ceramics. It was observed that the high-temperature electronic transport properties are independent of the choice of praseodymium doping source for samples prepared following our synthesis strategy. Theoretical calculations were also performed in order to estimate the maximum achievable power factor and the corresponding optimal carrier concentration. The result suggests the possibility of further improvement of the power factor. This study should shed some light on the superior electronic transport in bulk polycrystalline Pr-doped SrTiO3 ceramics and provide new insight on further improvement of the thermoelectric power factor.

Arrays of dipolar molecular rotors in Tris(o-phenylenedioxy) cyclotriphosphazene.

PubMed

Zhao, Ke; Dron, Paul I; Kaleta, Jiří; Rogers, Charles T; Michl, Josef

2014-01-01

Regular two-dimensional or three-dimensional arrays of mutually interacting dipolar molecular rotors represent a worthy synthetic objective. Their dielectric properties, including possible collective behavior, will be a sensitive function of the location of the rotors, the orientation of their axes, and the size of their dipoles. Host-guest chemistry is one possible approach to gaining fine control over these factors. We describe the progress that has been achieved in recent years using tris (o-phenylenedioxy)cyclotriphosphazene as a host and a series of rod-shaped dipolar molecular rotors as guests. Structures of both surface and bulk inclusion compounds have been established primarily by solid-state nuclear magnetic resonance (NMR) and powder X-ray diffraction (XRD) techniques. Low-temperature dielectric spectroscopy revealed rotational barriers as low as 1.5 kcal/mol, but no definitive evidence for collective behavior has been obtained so far.

Generalized Brewster effect in dielectric metasurfaces

PubMed Central

Paniagua-Domínguez, Ramón; Yu, Ye Feng; Miroshnichenko, Andrey E.; Krivitsky, Leonid A.; Fu, Yuan Hsing; Valuckas, Vytautas; Gonzaga, Leonard; Toh, Yeow Teck; Kay, Anthony Yew Seng; Luk'yanchuk, Boris; Kuznetsov, Arseniy I.

2016-01-01

Polarization is a key property defining the state of light. It was discovered by Brewster, while studying light reflected from materials at different angles. This led to the first polarizers, based on Brewster's effect. Now, one of the trends in photonics is the study of miniaturized devices exhibiting similar, or improved, functionalities compared with bulk optical elements. In this work, it is theoretically predicted that a properly designed all-dielectric metasurface exhibits a generalized Brewster's effect potentially for any angle, wavelength and polarization of choice. The effect is experimentally demonstrated for an array of silicon nanodisks at visible wavelengths. The underlying physics is related to the suppressed scattering at certain angles due to the interference between the electric and magnetic dipole resonances excited in the nanoparticles. These findings open doors for Brewster phenomenon to new applications in photonics, which are not bonded to a specific polarization or angle of incidence. PMID:26783075

Electronic structures at the interface between CuPc and black phosphorus

NASA Astrophysics Data System (ADS)

Wang, Can; Niu, Dongmei; Xie, Haipeng; Liu, Baoxing; Wang, Shitan; Zhu, Menglong; Gao, Yongli

2017-08-01

The electronic structure at the organic-inorganic semiconductor interface of π -conjugated copper phthalocyanine (CuPc) on a black phosphorus (BP) crystal surface is studied with photoemission spectroscopy and density functional theory calculations. From the photoemission spectra, we observe a shift of about 0.7 eV for the highest occupied molecular orbital, which originates from the transition of phase in the organic molecular thin film (from the interface phase to the bulk phase). On the other hand, we find 0.2 eV band bending at the CuPc/BP interface while the formation of an interface dipole is very small. According to our photoemission spectrum and theoretical simulation, we also define that the interaction between CuPc and BP is physisorption via van der Waals forces, rather than chemisorption. Our results provide a fundamental understanding of CuPc/BP interfacial interactions that could be important for future two-dimensional organic/inorganic heterostructure devices.

Plasmonic nanoparticles for a bottom-up approach to fabricate optical metamaterials

NASA Astrophysics Data System (ADS)

Dintinger, José; Scharf, Toralf

2012-03-01

We investigate experimentally metallic nanoparticle composites fabricated by bottom-up techniques as potential candidates for optical metamaterials. Depending on the plasmonic resonances sustained by individual NPs and their nanoscale organization into larger meta-atoms, various properties might emerge. Here, the focus of our contribution is on the fabrication and optical characterization of silver NP clusters with a spherical shape. We start with the characterisation of the "bulk" dielectric constants of silver NP inks by spectroscopic ellipsometry for different nanoparticle densities (i.e from strongly diluted dispersions to solid randomly packed films). The inks are then used to prepare spherical nanoparticle clusters by an oil-in water emulsion technique. The study of their optical properties demonstrates their ability to support Mie resonances in the visible. These resonances are associated with the excitation of a magnetic dipole, which constitutes a prerequisite to the realization of metamaterials with negative permeability.

Selected Growth of Cubic and Hexagonal GaN Epitaxial Films on Polar MgO(111)

NASA Astrophysics Data System (ADS)

Lazarov, V. K.; Zimmerman, J.; Cheung, S. H.; Li, L.; Weinert, M.; Gajdardziska-Josifovska, M.

2005-06-01

Selected molecular beam epitaxy of zinc blende (111) or wurtzite (0001) GaN films on polar MgO(111) is achieved depending on whether N or Ga is deposited first. The cubic stacking is enabled by nitrogen-induced polar surface stabilization, which yields a metallic MgO(111)-(1×1)-ON surface. High-resolution transmission electron microscopy and density functional theory studies indicate that the atomically abrupt semiconducting GaN(111)/MgO(111) interface has a Mg-O-N-Ga stacking, where the N atom is bonded to O at a top site. This specific atomic arrangement at the interface allows the cubic stacking to more effectively screen the substrate and film electric dipole moment than the hexagonal stacking, thus stabilizing the zinc blende phase even though the wurtzite phase is the ground state in the bulk.

Local conductance: A means to extract polarization and depolarizing fields near domain walls in ferroelectrics

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

Douglas, A. M.; Kumar, A.; Gregg, J. M.

Conducting atomic force microscopy images of bulk semiconducting BaTiO{sub 3} surfaces show clear stripe domain contrast. High local conductance correlates with strong out-of-plane polarization (mapped independently using piezoresponse force microscopy), and current-voltage characteristics are consistent with dipole-induced alterations in Schottky barriers at the metallic tip-ferroelectric interface. Indeed, analyzing current-voltage data in terms of established Schottky barrier models allows relative variations in the surface polarization, and hence the local domain structure, to be determined. Fitting also reveals the signature of surface-related depolarizing fields concentrated near domain walls. Domain information obtained from mapping local conductance appears to be more surface-sensitive than thatmore » from piezoresponse force microscopy. In the right materials systems, local current mapping could therefore represent a useful complementary technique for evaluating polarization and local electric fields with nanoscale resolution.« less

Modifying Poisson equation for near-solute dielectric polarization and solvation free energy

NASA Astrophysics Data System (ADS)

Yang, Pei-Kun

2016-06-01

The dielectric polarization P is important for calculating the stability of protein conformation and the binding affinity of protein-protein/ligand interactions and for exploring the nonthermal effect of an external electric field on biomolecules. P was decomposed into the product of the electric dipole moment per molecule p; bulk solvent density Nbulk; and relative solvent molecular density g. For a molecular solute, 4πr2p(r) oscillates with the distance r to the solute, and g(r) has a large peak in the near-solute region, as observed in molecular dynamics (MD) simulations. Herein, the Poisson equation was modified for computing p based on the modified Gauss's law of Maxwell's equations, and the potential of the mean force was used for computing g. For one or two charged atoms in a water cluster, the solvation free energies of the solutes obtained by these equations were similar to those obtained from MD simulations.

Probing Neutrino Hierarchy and Chirality via Wakes.

PubMed

Zhu, Hong-Ming; Pen, Ue-Li; Chen, Xuelei; Inman, Derek

2016-04-08

The relic neutrinos are expected to acquire a bulk relative velocity with respect to the dark matter at low redshifts, and neutrino wakes are expected to develop downstream of the dark matter halos. We propose a method of measuring the neutrino mass based on this mechanism. This neutrino wake will cause a dipole distortion of the galaxy-galaxy lensing pattern. This effect could be detected by combining upcoming lensing surveys with a low redshift galaxy survey or a 21 cm intensity mapping survey, which can map the neutrino flow field. The data obtained with LSST and Euclid should enable us to make a positive detection if the three neutrino masses are quasidegenerate with each neutrino mass of ∼0.1  eV, and a future high precision 21 cm lensing survey would allow the normal hierarchy and inverted hierarchy cases to be distinguished, and even the right-handed Dirac neutrinos may be detectable.

Improvement of persistent magnetic field trapping in bulk Y-Ba-Cu-O superconductors

NASA Technical Reports Server (NTRS)

Chen, In-Gann; Weinstein, Roy

1993-01-01

For type-II superconductors, magnetic field can be trapped due to persistent internal supercurrent. Quasi-persistent magnetic fields near 2 T at 60 K (and 1.4 T at 77 K) have been measured in minimagnets made of proton-irradiated melt-textured Y-Ba-Cu-O (MT-Y123) samples. Using the trapping effect, high-field permanent magnets with dipole, quadrupole, or more complicated configurations can be made of existing MT-Y123 material, thus bypassing the need for high-temperature superconductor (HTS) wires. A phenomenological current model has been developed to account for the trapped field intensity and profile in HTS samples. This model is also a guide to select directions of materials development to further improve field trapping properties. General properties such as magnetic field intensities, spatial distributions, stabilities, and temperature dependence of trapped field are discussed.

Non-resonant inelastic x-ray scattering spectra of lithiated titanium oxides for battery applications

NASA Astrophysics Data System (ADS)

Nagle, Kenneth; Balasubramanian, Mali; Johnson, Christopher; Seidler, Gerald; Belharouak, Ilias

2008-03-01

Although lithium-ion batteries now see widespread use, there remain considerable questions concerning the basic solid state chemistry of both electrodes. Improved understanding of the local electronic structure, particularly the mechanism of charge transfer upon insertion and removal of lithium, could lead to innovation in battery design and improved performance. We present non-resonant inelastic x-ray scattering (NRIXS) spectra from 2p initial states in titanium; these spectra are among the first recorded for such states in a transition metal. These spectra were obtained using the lower energy resolution inelastic x-ray scattering (LERIX) spectrometer, which is capable of making simultaneous measurements at nineteen values of momentum transfer. We demonstrate the ability to obtain soft x-ray absorption-like information using a bulk-sensitive, hard x-ray technique. In addition, at high momentum transfer NRIXS provides information about non-dipole transitions that are inaccessible by soft x-ray spectroscopic methods.

Nonsymmorphic symmetry-protected topological modes in plasmonic nanoribbon lattices

NASA Astrophysics Data System (ADS)

Zhang, Yong-Liang; Wu, Raymond P. H.; Kumar, Anshuman; Si, Tieyan; Fung, Kin Hung

2018-04-01

Using a dynamic eigenresponse theory, we study the topological edge plasmon modes in dispersive plasmonic lattices constructed by unit cells of multiple nanoribbons. In dipole approximation, the bulk-edge correspondence in the lattices made of dimerized unit cell and one of its square-root daughter with nonsymmorphic symmetry are demonstrated. Calculations with consideration of dynamic long-range effects and retardation are compared to those given by nearest-neighbor approximations. It is shown that nonsymmorphic symmetry opens up two symmetric gaps where versatile topological edge plasmon modes are found. Unprecedented spectral shifts of the edge states with respect to the zero modes due to long-range coupling are found. The proposed ribbon structure is favorable to electrical gating and thus could serve as an on-chip platform for electrically controllable subwavelength edge states at optical wavelengths. Our eigenresponse approach provides a powerful tool for the radiative topological mode analysis in strongly coupled plasmonic lattices.

Two-time quantum transport and quantum diffusion.

PubMed

Kleinert, P

2009-05-01

Based on the nonequilibrium Green's function technique, a unified theory is developed that covers quantum transport and quantum diffusion in bulk semiconductors on the same footing. This approach, which is applicable to transport via extended and localized states, extends previous semiphenomenological studies and puts them on a firm microscopic basis. The approach is sufficiently general and applies not only to well-studied quantum-transport problems, but also to models, in which the Hamiltonian does not commute with the dipole operator. It is shown that even for the unified treatment of quantum transport and quantum diffusion in homogeneous systems, all quasimomenta of the carrier distribution function are present and fulfill their specific function. Particular emphasis is put on the double-time nature of quantum kinetics. To demonstrate the existence of robust macroscopic transport effects that have a true double-time character, a phononless steady-state current is identified that appears only beyond the generalized Kadanoff-Baym ansatz.

Anomalously low dielectric constant of confined water.

PubMed

Fumagalli, L; Esfandiar, A; Fabregas, R; Hu, S; Ares, P; Janardanan, A; Yang, Q; Radha, B; Taniguchi, T; Watanabe, K; Gomila, G; Novoselov, K S; Geim, A K

2018-06-22

The dielectric constant ε of interfacial water has been predicted to be smaller than that of bulk water (ε ≈ 80) because the rotational freedom of water dipoles is expected to decrease near surfaces, yet experimental evidence is lacking. We report local capacitance measurements for water confined between two atomically flat walls separated by various distances down to 1 nanometer. Our experiments reveal the presence of an interfacial layer with vanishingly small polarization such that its out-of-plane ε is only ~2. The electrically dead layer is found to be two to three molecules thick. These results provide much-needed feedback for theories describing water-mediated surface interactions and the behavior of interfacial water, and show a way to investigate the dielectric properties of other fluids and solids under extreme confinement. Copyright © 2018 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.

Segregation formation, thermal and electronic properties of ternary cubic CdZnTe clusters: MD simulations and DFT calculations

NASA Astrophysics Data System (ADS)

Kurban, Mustafa; Erkoç, Şakir

2017-04-01

Surface and core formation, thermal and electronic properties of ternary cubic CdZnTe clusters are investigated by using classical molecular dynamics (MD) simulations and density functional theory (DFT) calculations. In this work, MD simulations of the CdZnTe clusters are performed by means of LAMMPS by using bond order potential (BOP). MD simulations are carried out at different temperatures to study the segregation phenomena of Cd, Zn and Te atoms, and deviation of clusters and heat capacity. After that, using optimized geometries obtained, excess charge on atoms, dipole moments, highest occupied molecular orbitals, lowest unoccupied molecular orbitals, HOMO-LUMO gaps (Eg) , total energies, spin density and the density of states (DOS) have been calculated with DFT. Simulation results such as heat capacity and segregation formation are compared with experimental bulk and theoretical results.

3D magnetic sources' framework estimation using Genetic Algorithm (GA)

NASA Astrophysics Data System (ADS)

Ponte-Neto, C. F.; Barbosa, V. C.

2008-05-01

We present a method for inverting total-field anomaly for determining simple 3D magnetic sources' framework such as: batholiths, dikes, sills, geological contacts, kimberlite and lamproite pipes. We use GA to obtain magnetic sources' frameworks and their magnetic features simultaneously. Specifically, we estimate the magnetization direction (inclination and declination) and the total dipole moment intensity, and the horizontal and vertical positions, in Cartesian coordinates , of a finite set of elementary magnetic dipoles. The spatial distribution of these magnetic dipoles composes the skeletal outlines of the geologic sources. We assume that the geologic sources have a homogeneous magnetization distribution and, thus all dipoles have the same magnetization direction and dipole moment intensity. To implement the GA, we use real-valued encoding with crossover, mutation, and elitism. To obtain a unique and stable solution, we set upper and lower bounds on declination and inclination of [0,360°] and [-90°, 90°], respectively. We also set the criterion of minimum scattering of the dipole-position coordinates, to guarantee that spatial distribution of the dipoles (defining the source skeleton) be as close as possible to continuous distribution. To this end, we fix the upper and lower bounds of the dipole moment intensity and we evaluate the dipole-position estimates. If the dipole scattering is greater than a value expected by the interpreter, the upper bound of the dipole moment intensity is reduced by 10 % of the latter. We repeat this procedure until the dipole scattering and the data fitting are acceptable. We apply our method to noise-corrupted magnetic data from simulated 3D magnetic sources with simple geometries and located at different depths. In tests simulating sources such as sphere and cube, all estimates of the dipole coordinates are agreeing with center of mass of these sources. To elongated-prismatic sources in an arbitrary direction, we estimate dipole-position coordinates coincident with principal axis of sources. In tests with synthetic data, simulating the magnetic anomaly yielded by intrusive 2D structures such as dikes and sills, the estimates of the dipole coordinates are coincident with the principal plane of these 2D sources. We also inverted the aeromagnetic data from Serra do Cabral, in southeastern, Brazil, and we estimated dipoles distributed on a horizontal plane at depth of 30 km, with inclination and declination of 59.1° and -48.0°, respectively. The results showed close agreement with previous interpretation.

Probing the Cosmological Principle in the counts of radio galaxies at different frequencies

NASA Astrophysics Data System (ADS)

Bengaly, Carlos A. P.; Maartens, Roy; Santos, Mario G.

2018-04-01

According to the Cosmological Principle, the matter distribution on very large scales should have a kinematic dipole that is aligned with that of the CMB. We determine the dipole anisotropy in the number counts of two all-sky surveys of radio galaxies. For the first time, this analysis is presented for the TGSS survey, allowing us to check consistency of the radio dipole at low and high frequencies by comparing the results with the well-known NVSS survey. We match the flux thresholds of the catalogues, with flux limits chosen to minimise systematics, and adopt a strict masking scheme. We find dipole directions that are in good agreement with each other and with the CMB dipole. In order to compare the amplitude of the dipoles with theoretical predictions, we produce sets of lognormal realisations. Our realisations include the theoretical kinematic dipole, galaxy clustering, Poisson noise, simulated redshift distributions which fit the NVSS and TGSS source counts, and errors in flux calibration. The measured dipole for NVSS is ~2 times larger than predicted by the mock data. For TGSS, the dipole is almost ~ 5 times larger than predicted, even after checking for completeness and taking account of errors in source fluxes and in flux calibration. Further work is required to understand the nature of the systematics that are the likely cause of the anomalously large TGSS dipole amplitude.

A new dipole index of the salinity anomalies of the tropical Indian Ocean

PubMed Central

Li, Junde; Liang, Chujin; Tang, Youmin; Dong, Changming; Chen, Dake; Liu, Xiaohui; Jin, Weifang

2016-01-01

With the increased interest in studying the sea surface salinity anomaly (SSSA) of the tropical Indian Ocean during the Indian Ocean Dipole (IOD), an index describing the dipole variability of the SSSA has been pursued recently. In this study, we first use a regional ocean model with a high spatial resolution to produce a high-quality salinity simulation during the period from 1982 to 2014, from which the SSSA dipole structure is identified for boreal autumn. On this basis, by further analysing the observed data, we define a dipole index of the SSSA between the central equatorial Indian Ocean (CEIO: 70°E-90°E, 5°S-5°N) and the region off the Sumatra-Java coast (SJC: 100°E-110°E, 13°S-3°S). Compared with previous SSSA dipole indices, this index has advantages in detecting the dipole signals and in characterizing their relationship to the sea surface temperature anomaly (SSTA) dipole variability. Finally, the mechanism of the SSSA dipole is investigated by dynamical diagnosis. It is found that anomalous zonal advection dominates the SSSA in the CEIO region, whereas the SSSA in the SJC region are mainly influenced by the anomalous surface freshwater flux. This SSSA dipole provides a positive feedback to the formation of the IOD events. PMID:27052319

Lineshapes of Dipole-Dipole Resonances in a Cold Rydberg Gas

NASA Astrophysics Data System (ADS)

Richards, B. G.; Jones, R. R.

2015-05-01

We have examined the lineshapes associated with Stark tuned, dipole-dipole resonances involving Rydberg atoms in a cold gas. Rb atoms in a MOT are laser excited from the 5 p level to 32p3 / 2 in the presence of a weak electric field. A fast rising electric field pulse Stark tunes the total energy of two 32 p atom pairs so it is (nearly) degenerate with that of the 32s1 / 2+33s1 / 2 states. Because of the dipole-dipole coupling, atom pairs separated by a distance R, develop 32s1 / 2+33s1 / 2 character. The maximum probability for finding atoms in s-states depends on the detuning from degeneracy and on the dipole-dipole coupling. We obtain the ``resonance'' lineshape by measuring, via state-selective field ionization, the s-state population as a function of the tuning field. The resonance width decreases with density due to R-3 dependence of the dipole-dipole coupling. In principle, the lineshape provides information about the distribution of Rydberg atom spacings in the sample. For equally spaced atoms, the lineshape should be Lorentzian while for a random nearest neighbor distribution it appears as a cusp. At low densities nearly Gaussian lineshapes are observed with widths that are too large to be the result of inhomogeneous electric or magnetic fields. Supported by the NSF.

The magneto-optical properties of non-uniform graphene nanoribbons

NASA Astrophysics Data System (ADS)

Chung, Hsien-Ching; Lin, Ming-Fa

2015-03-01

When synthesizing few-layer graphene nanoribbons (GNRs), non-uniform GNRs would be made simultaneously. Recently, the non-uniform GNRs, which is a stack of two GNRs with unequal widths, have been fabricated by mechanically exfoliated from bulk graphite. Some theoretical predictions have been reported, such as gap opening and transport properties. Under the influence of magnetic fields, magnetic quantization takes place and drastically changes the electronic properties. By tuning the geometric configuration, four categories of magneto-electronic spectra are exhibited. (1) The spectrum is mostly contributed by quasi-Landau levels (QLLs) of monolayer GNRs. (2) The spectrum displays two groups of QLLs, and the non-uniform GNR behaves like a bilayer one. (3) An intermediate category, the spectrum is composite disordered. (4) The spectrum presents the coexistence of monolayer and bilayer spectra. In this work, the magneto-electronic and optical properties for different geometric configurations are given, such as energy dispersions, density of states, wave functions, and magneto-absorption spectra are presented. Furthermore, the transformation between monolayer and bilayer spectra as well as the coexistence of monolayer and bilayer spectra are discussed in detail. One of us (Hsien-Ching Chung) thanks Ming-Hui Chung and Su-Ming Chen for financial support. This work was supported in part by the National Science Council of Taiwan under Grant Number 98-2112-M-006-013-MY4.

Critical dimension control using ultrashort laser for improving wafer critical dimension uniformity

NASA Astrophysics Data System (ADS)

Avizemer, Dan; Sharoni, Ofir; Oshemkov, Sergey; Cohen, Avi; Dayan, Asaf; Khurana, Ranjan; Kewley, Dave

2015-07-01

Requirements for control of critical dimension (CD) become more demanding as the integrated circuit (IC) feature size specifications become tighter and tighter. Critical dimension control, also known as CDC, is a well-known laser-based process in the IC industry that has proven to be robust, repeatable, and efficient in adjusting wafer CD uniformity (CDU) [Proc. SPIE 6152, 615225 (2006)]. The process involves locally and selectively attenuating the deep ultraviolet light which goes through the photomask to the wafer. The input data for the CDC process in the wafer fab is typically taken from wafer CDU data, which is measured by metrology tools such as wafer-critical dimension-scanning electron microscopy (CD-SEM), wafer optical scatterometry, or wafer level CD (WLCD). The CD correction process uses the CDU data in order to create an attenuation correction contour, which is later applied by the in-situ ultrashort laser system of the CDC to locally change the transmission of the photomask. The ultrashort pulsed laser system creates small, partially scattered, Shade-In-Elements (also known as pixels) by focusing the laser beam inside the quartz bulk of the photomask. This results in the formation of a localized, intravolume, quartz modified area, which has a different refractive index than the quartz bulk itself. The CDC process flow for improving wafer CDU in a wafer fab with detailed explanations of the shading elements formation inside the quartz by the ultrashort pulsed laser is reviewed.

Accurate quantum calculations of translation-rotation eigenstates in electric-dipole-coupled H2O@C60 assemblies

NASA Astrophysics Data System (ADS)

Felker, Peter M.; Bačić, Zlatko

2017-09-01

We present methodology for variational calculation of the 6 n -dimensional translation-rotation (TR) eigenstates of assemblies of n H2O@C60 moieties coupled by dipole-dipole interactions. We show that the TR Hamiltonian matrix for any n can be constructed from dipole-dipole matrix elements computed for n = 2 . We present results for linear H2O@C60 assemblies. Two classes of eigenstates are revealed. One class comprises excitations of the 111 rotational level of H2O. The lowest-energy 111 -derived eigenstate for each assembly exhibits significant dipole ordering and shifts down in energy with the assembly size.

Screened dipolar interactions in some molecular crystals

NASA Astrophysics Data System (ADS)

Munn, R. W.; Hurst, M.

1990-10-01

Screened dipole energies and dipole electric fields are calculated for the crystals of HCN, meta- and para-nitroaniline, the nonlinear optical compounds POM, MAP and DAN, meta-dinitrobenzene, and acetanilide. Only para-nitroaniline is centrosymmetric, but all the crystals have significant negative dipole energies (of the order of -20 kJ mol -1) except for POM and metadinitrobenzene, where they are positive but small in magnitude. Local dipole fields are of the order of 10 GV m -1. The results assume that surface charge annuls any macroscopic dipole field. It is speculated that the observed preponderance of centrosymmetric crystals of polar molecules may reflect a favourable dipole energy in the initial crystal nucleus rather than the macroscopic crystal.

Thermal balance of the atmospheres of Jupiter and Uranus

NASA Technical Reports Server (NTRS)

Friedson, A. J.; Ingersoll, A. P.

1986-01-01

Two-dimensional, radiative-convective-dynamical models of the visible atmospheres of Jupiter and Uranus are presented. Zonally-averaged temperatures and heat fluxes are calculated numerically as functions of pressure and latitude. In addition to radiative heat fluxes, the dynamical heat flux due to large-scale baroclinic eddies is included and is parametrized using a mixing length theory which gives heat fluxes similar to those of Stone. The results for Jupiter indicate that the internal heat flow is non-uniform in latitude and nearly balances the net radiative flux leaving the atmosphere. The thermal emission is found to be uniform in latitude in agreement with Pioneer and Voyager observations. Baroclinic eddies are calculated to transport only a small amount of the meridional heat flow necessary to account for the uniformity of thermal emission with latitude. The bulk of the meridional heat transfer is found to occur very deep in the stable interior of Jupiter as originally proposed by Ingersoll and Porco. The relative importance of baroclinic eddies vs. internal heat flow in the thermal balance of Uranus depends on the ratio of emitted thermal power to absorbed solar power. The thermal balance of Uranus is compared to that of Jupiter for different values of this ratio.

Translation by anisotropic peeling or fracturing in elastic media

NASA Astrophysics Data System (ADS)

Zheng, Zhong; Lister, John; Neufeld, Jerome

2017-11-01

The influence of rock anisotropy on the direction of hydraulic fracturing is an important open question. Two canonical systems have been proposed to investigate the fundamental aspects of such fluid-structure interaction problems: (i) Fluid injection and fracturing into an infinite elastic matrix (e.g., solid gelatin) and (ii) Fluid invasion and peeling beneath a deforming elastic sheet (e.g., bending plate). We investigate the second system and impose a non-uniform prewetting film thickness beneath the elastic sheet. We notice that while the bulk of the elastic sheet retains the static blister shape, a non-uniform prewetting film thickness can cause a horizontal translation of the blister. In particular, for a step jump in prewetting film thickness, asymptotic analysis indicates that, under constant fluid injection, the horizontal translation follows a t 7 / 17 time dependence in cartesian coordinates, and the prefactor of power-law translation depends on the ratio of the distinct prewetting film thicknesses on either side. We also provide numerical and experimental evidence demonstrating anisotropic blister evolution. This can be thought of as a model system for fluid-driven fracturing where the non-uniform prewetting film thickness mimics heterogeneity in material toughness.

3D homogeneity study in PMMA layers using a Fourier domain OCT system

NASA Astrophysics Data System (ADS)

Briones-R., Manuel de J.; Torre-Ibarra, Manuel H. De La; Tavera, Cesar G.; Luna H., Juan M.; Mendoza-Santoyo, Fernando

2016-11-01

Micro-metallic particles embedded in polymers are now widely used in several industrial applications in order to modify the mechanical properties of the bulk. A uniform distribution of these particles inside the polymers is highly desired for instance, when a biological backscattering is simulated or a bio-framework is designed. A 3D Fourier domain optical coherence tomography system to detect the polymer's internal homogeneity is proposed. This optical system has a 2D camera sensor array that records a fringe pattern used to reconstruct with a single shot the tomographic image of the sample. The system gathers the full 3D tomographic and optical phase information during a controlled deformation by means of a motion linear stage. This stage avoids the use of expensive tilting stages, which in addition are commonly controlled by piezo drivers. As proof of principle, a series of different deformations were proposed to detect the uniform or non-uniform internal deposition of copper micro particles. The results are presented as images coming from the 3D tomographic micro reconstruction of the samples, and the 3D optical phase information that identifies the in-homogeneity regions within the Poly methyl methacrylate (PMMA) volume.

Nanoscale shift of the intensity distribution of dipole radiation.

PubMed

Shu, Jie; Li, Xin; Arnoldus, Henk F

2009-02-01

The energy flow lines (field lines of the Poynting vector) for radiation emitted by a dipole are in general curves, rather than straight lines. For a linear dipole the field lines are straight, but when the dipole moment of a source rotates, the field lines wind numerous times around an axis, which is perpendicular to the plane of rotation, before asymptotically approaching a straight line. We consider an elliptical dipole moment, representing the most general state of oscillation, and this includes the linear dipole as a special case. Due to the spiraling near the source, for the case of a rotating dipole moment, the field lines in the far field are displaced with respect to the outward radial direction, and this leads to a shift of the intensity distribution of the radiation in the far field. This shift is shown to be independent of the distance to the source and, although of nanoscale dimension, should be experimentally observable.

Control of the diocotron instability of a hollow electron beam with periodic dipole magnets

DOE PAGES

Jo, Y. H.; Kim, J. S.; Stancari, G.; ...

2017-12-28

A method to control the diocotron instability of a hollow electron beam with peri-odic dipole magnetic fields has been investigated by a two-dimensional particle-in-cell simulation. At first, relations between the diocotron instability and several physical parameters such as the electron number density, current and shape of the electron beam, and the solenoidal field strength are theoretically analyzed without periodic dipole magnetic fields. Then, we study the effects of the periodic dipole magnetic fields on the diocotron instability using the two-dimensional particle-in-cell simulation. In the simulation, we considered the periodic dipole magnetic field applied along the propagation direction of the beam,more » as a temporally varying magnetic field in the beam frame. Lastly, a stabilizing effect is observed when the oscillating frequency of the dipole magnetic field is optimally chosen, which increases with the increasing amplitude of the dipole magnetic field.« less

Field Distribution and Coupling Investigation of an Eight-Channel RF Coil Consisting of Different Dipole Coil Elements for 7 T MRI.

PubMed

Chen, Zhichao; Solbach, Klaus; Erni, Daniel; Rennings, Andreas

2017-06-01

In this contribution, we investigate the [Formula: see text] distribution and coupling characteristics of a multichannel radio frequency (RF) coil consisting of different dipole coil elements for 7 T MRI, and explore the feasibility to achieve a compromise between field distribution and decoupling by combining different coil elements. Two types of dipole elements are considered here: the meander dipole element with a chip-capacitor-based connection to the RF shield which achieves a sufficient decoupling between the neighboring elements; and the open-ended meander dipole element which exhibits a broader magnetic field distribution. By nesting the open-ended dipole elements in between the ones with end-capacitors, the [Formula: see text] distribution, in terms of field penetration depth and homogeneity, is improved in comparison to the dipole coil consisting only of the elements with end-capacitors, and at the same time, the adjacent elements are less coupled to each other in comparison to the dipole coil consisting only of the open-ended elements. The proposed approach is validated by both full-wave simulation and experimental results.

Dipole oscillator strength distributions with improved high-energy behavior: Dipole sum rules and dispersion coefficients for Ne, Ar, Kr, and Xe revisited

NASA Astrophysics Data System (ADS)

Kumar, Ashok; Thakkar, Ajit J.

2010-02-01

The construction of the dipole oscillator strength distribution (DOSD) from theoretical and experimental photoabsorption cross sections combined with constraints provided by the Kuhn-Reiche-Thomas sum rule and molar refractivity data is a well-established technique that has been successfully applied to more than 50 species. Such DOSDs are insufficiently accurate at large photon energies. A novel iterative procedure is developed that rectifies this deficiency by using the high-energy asymptotic behavior of the dipole oscillator strength density as an additional constraint. Pilot applications are made for the neon, argon, krypton, and xenon atoms. The resulting DOSDs improve the agreement of the predicted S2 and S1 sum rules with ab initio calculations while preserving the accuracy of the remainder of the moments. Our DOSDs exploit new and more accurate experimental data. Improved estimates of dipole properties for these four atoms and of dipole-dipole C6 and triple-dipole C9 dispersion coefficients for the interactions among them are reported.

On methods of estimating cosmological bulk flows

NASA Astrophysics Data System (ADS)

Nusser, Adi

2016-01-01

We explore similarities and differences between several estimators of the cosmological bulk flow, B, from the observed radial peculiar velocities of galaxies. A distinction is made between two theoretical definitions of B as a dipole moment of the velocity field weighted by a radial window function. One definition involves the three-dimensional (3D) peculiar velocity, while the other is based on its radial component alone. Different methods attempt at inferring B for either of these definitions which coincide only for the case of a velocity field which is constant in space. We focus on the Wiener Filtering (WF) and the Constrained Minimum Variance (CMV) methodologies. Both methodologies require a prior expressed in terms of the radial velocity correlation function. Hoffman et al. compute B in Top-Hat windows from a WF realization of the 3D peculiar velocity field. Feldman et al. infer B directly from the observed velocities for the second definition of B. The WF methodology could easily be adapted to the second definition, in which case it will be equivalent to the CMV with the exception of the imposed constraint. For a prior with vanishing correlations or very noisy data, CMV reproduces the standard Maximum Likelihood estimation for B of the entire sample independent of the radial weighting function. Therefore, this estimator is likely more susceptible to observational biases that could be present in measurements of distant galaxies. Finally, two additional estimators are proposed.

Dependence of Exciton Diffusion Length and Diffusion Coefficient on Photophysical Parameters in Bulk Heterojunction Organic Solar Cells

NASA Astrophysics Data System (ADS)

Yeboah, Douglas; Singh, Jai

2017-11-01

Recently, the dependence of exciton diffusion length (LD ) on some photophysical parameters of organic solids has been experimentally demonstrated, however no systematic theoretical analysis of this phenomenon has been carried out. We have conducted a theoretical study by using the Förster resonance energy transfer and Dexter carrier transfer mechanisms together with the Einstein-Smoluchowski diffusion equation to derive analytical models for the diffusion lengths (LD ) and diffusion coefficients (D) of singlet (S) and triplet (T) excitons in organic solids as functions of spectral overlap integral (J) , photoluminescence (PL) quantum yield (φD ) , dipole moment (μT ) and refractive index (n) of the photoactive material. The exciton diffusion lengths and diffusion coefficients in some selected organic solids were calculated, and we found that the singlet exciton diffusion length (LDS ) increases with φD and J, and decreases with n. Also, the triplet exciton diffusion length (LDT ) increases with φD and decreases with μT . These may be achieved through doping the organic solids into broad optical energy gap host materials as observed in previous experiments. The calculated exciton diffusion lengths are compared with experimental values and a reasonably good agreement is found between them. The results presented are expected to provide insight relevant to the synthesis of new organic solids for fabrication of bulk heterojunction organic solar cells characterized by better power conversion efficiency.

Electrostatic-Dipole (ED) Fusion Confinement Studies

NASA Astrophysics Data System (ADS)

Miley, George H.; Shrestha, Prajakti J.; Yang, Yang; Thomas, Robert

2004-11-01

The Electrostatic-Dipole (ED) concept significantly differs from a "pure" dipole confinement device [1] in that the charged particles are preferentially confined to the high-pressure region interior of the dipole coil by the assistance of a surrounding spherical electrostatic grid. In present ED experiments, a current carrying coil is embedded inside the grid of an IEC such as to produce a magnetic dipole field. Charged particles are injected axisymmetrically from an ion gun (or duo-plasmatron) into the center of the ED confinement grid/dipole ring where they oscillate along the magnetic field lines and pass the peak field region at the center of the dipole region. As particles begin accelerating away from the center region towards the outer electrostatic grid region, they encounter a strong electrostatic potential (order of 10's of kilovolts) retarding force. The particles then decelerate, reverse direction and re-enter the dipole field region where again magnetic confinement dominates. This process continues, emulating a complex harmonic oscillator motion. The resulting pressure profile averaged over the field curvature offers good plasma stability in the ED configuration. The basic concept and results from preliminary experiments will be described. [1] M.E. Mauel, et al. "Dipole Equilibrium and Stability," 18th IAEA Conference of Plasma Phys. and Control. Nuclear Fusion, Varenna, Italy 2000, IAEA-F1-CN-70/TH

Diagnostics of the Fermilab Tevatron using an AC dipole

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

Miyamoto, Ryoichi

2008-08-01

The Fermilab Tevatron is currently the world's highest energy colliding beam facility. Its counter-rotating proton and antiproton beams collide at 2 TeV center-of-mass. Delivery of such intense beam fluxes to experiments has required improved knowledge of the Tevatron's beam optical lattice. An oscillating dipole magnet, referred to as an AC dipole, is one of such a tool to non-destructively assess the optical properties of the synchrotron. We discusses development of an AC dipole system for the Tevatron, a fast-oscillating (f ~ 20 kHz) dipole magnet which can be adiabatically turned on and off to establish sustained coherent oscillations of themore » beam particles without affecting the transverse emittance. By utilizing an existing magnet and a higher power audio amplifier, the cost of the Tevatron AC dipole system became relatively inexpensive. We discuss corrections which must be applied to the driven oscillation measurements to obtain the proper interpretation of beam optical parameters from AC dipole studies. After successful operations of the Tevatron AC dipole system, AC dipole systems, similar to that in the Tevatron, will be build for the CERN LHC. We present several measurements of linear optical parameters (beta function and phase advance) for the Tevatron, as well as studies of non-linear perturbations from sextupole and octupole elements.« less

Variations in the geomagnetic dipole moment during the Holocene and the past 50 kyr

NASA Astrophysics Data System (ADS)

Knudsen, Mads Faurschou; Riisager, Peter; Donadini, Fabio; Snowball, Ian; Muscheler, Raimund; Korhonen, Kimmo; Pesonen, Lauri J.

2008-07-01

All absolute paleointensity data published in peer-reviewed journals were recently compiled in the GEOMAGIA50 database. Based on the information in GEOMAGIA50, we reconstruct variations in the geomagnetic dipole moment over the past 50 kyr, with a focus on the Holocene period. A running-window approach is used to determine the axial dipole moment that provides the optimal least-squares fit to the paleointensity data, whereas associated error estimates are constrained using a bootstrap procedure. We subsequently compare the reconstruction from this study with previous reconstructions of the geomagnetic dipole moment, including those based on cosmogenic radionuclides ( 10Be and 14C). This comparison generally lends support to the axial dipole moments obtained in this study. Our reconstruction shows that the evolution of the dipole moment was highly dynamic, and the recently observed rates of change (5% per century) do not appear unique. We observe no apparent link between the occurrence of archeomagnetic jerks and changes in the geomagnetic dipole moment, suggesting that archeomagnetic jerks most likely represent drastic changes in the orientation of the geomagnetic dipole axis or periods characterized by large secular variation of the non-dipole field. This study also shows that the Holocene geomagnetic dipole moment was high compared to that of the preceding ˜ 40 kyr, and that ˜ 4 · 10 22 Am 2 appears to represent a critical threshold below which geomagnetic excursions and reversals occur.

Improvement of solar-cycle prediction: Plateau of solar axial dipole moment

NASA Astrophysics Data System (ADS)

Iijima, H.; Hotta, H.; Imada, S.; Kusano, K.; Shiota, D.

2017-11-01

Aims: We report the small temporal variation of the axial dipole moment near the solar minimum and its application to the solar-cycle prediction by the surface flux transport (SFT) model. Methods: We measure the axial dipole moment using the photospheric synoptic magnetogram observed by the Wilcox Solar Observatory (WSO), the ESA/NASA Solar and Heliospheric Observatory Michelson Doppler Imager (MDI), and the NASA Solar Dynamics Observatory Helioseismic and Magnetic Imager (HMI). We also use the SFT model for the interpretation and prediction of the observed axial dipole moment. Results: We find that the observed axial dipole moment becomes approximately constant during the period of several years before each cycle minimum, which we call the axial dipole moment plateau. The cross-equatorial magnetic flux transport is found to be small during the period, although a significant number of sunspots are still emerging. The results indicate that the newly emerged magnetic flux does not contribute to the build up of the axial dipole moment near the end of each cycle. This is confirmed by showing that the time variation of the observed axial dipole moment agrees well with that predicted by the SFT model without introducing new emergence of magnetic flux. These results allow us to predict the axial dipole moment at the Cycle 24/25 minimum using the SFT model without introducing new flux emergence. The predicted axial dipole moment at the Cycle 24/25 minimum is 60-80 percent of Cycle 23/24 minimum, which suggests the amplitude of Cycle 25 is even weaker than the current Cycle 24. Conclusions: The plateau of the solar axial dipole moment is an important feature for the longer-term prediction of the solar cycle based on the SFT model.

Real-Time Localization of Moving Dipole Sources for Tracking Multiple Free-Swimming Weakly Electric Fish

PubMed Central

Jun, James Jaeyoon; Longtin, André; Maler, Leonard

2013-01-01

In order to survive, animals must quickly and accurately locate prey, predators, and conspecifics using the signals they generate. The signal source location can be estimated using multiple detectors and the inverse relationship between the received signal intensity (RSI) and the distance, but difficulty of the source localization increases if there is an additional dependence on the orientation of a signal source. In such cases, the signal source could be approximated as an ideal dipole for simplification. Based on a theoretical model, the RSI can be directly predicted from a known dipole location; but estimating a dipole location from RSIs has no direct analytical solution. Here, we propose an efficient solution to the dipole localization problem by using a lookup table (LUT) to store RSIs predicted by our theoretically derived dipole model at many possible dipole positions and orientations. For a given set of RSIs measured at multiple detectors, our algorithm found a dipole location having the closest matching normalized RSIs from the LUT, and further refined the location at higher resolution. Studying the natural behavior of weakly electric fish (WEF) requires efficiently computing their location and the temporal pattern of their electric signals over extended periods. Our dipole localization method was successfully applied to track single or multiple freely swimming WEF in shallow water in real-time, as each fish could be closely approximated by an ideal current dipole in two dimensions. Our optimized search algorithm found the animal’s positions, orientations, and tail-bending angles quickly and accurately under various conditions, without the need for calibrating individual-specific parameters. Our dipole localization method is directly applicable to studying the role of active sensing during spatial navigation, or social interactions between multiple WEF. Furthermore, our method could be extended to other application areas involving dipole source localization. PMID:23805244

Colloidal chemical synthesis and formation kinetics of uniformly sized nanocrystals of metals, oxides, and chalcogenides.

PubMed

Kwon, Soon Gu; Hyeon, Taeghwan

2008-12-01

Nanocrystals exhibit interesting electrical, optical, magnetic, and chemical properties not achieved by their bulk counterparts. Consequently, to fully exploit the potential of nanocrystals, the synthesis of nanocrystals must focus on producing materials with uniform size and shape. Top-down physical processes can produce large quantities of nanocrystals, but controlling the size is difficult with these methods. On the other hand, colloidal chemical synthetic methods can produce uniform nanocrystals with a controlled particle size. In this Account, we present our synthesis of uniform nanocrystals of various shapes and materials, and we discuss the kinetics of nanocrystal formation. We employed four different synthetic approaches including thermal decomposition, nonhydrolytic sol-gel reactions, thermal reduction, and use of reactive chalcogen reagents. We synthesized uniform oxide nanocrystals via heat-up methods. This method involved slowly heat-up reaction mixtures composed of metal precursors, surfactants, and solvents from room temperature to high temperature. We then held reaction mixtures at an aging temperature for a few minutes to a few hours. Kinetics studies revealed a three-step mechanism for the synthesis of nanocrystals through the heat-up method with size distribution control. First, as metal precursors thermally decompose, monomers accumulate. At the aging temperature, burst nucleation occurs rapidly; at the end of this second phase, nucleation stops, but continued diffusion-controlled growth leads to size focusing to produce uniform nanocrystals. We used nonhydrolytic sol-gel reactions to synthesize various transition metal oxide nanocrystals. We employed ester elimination reactions for the synthesis of ZnO and TiO(2) nanocrystals. Uniform Pd nanoparticles were synthesized via a thermal reduction reaction induced by heating up a mixture of Pd(acac)(2), tri-n-octylphosphine, and oleylamine to the aging temperature. Similarly, we synthesized nanoparticles of copper and nickel using metal(II) acetylacetonates. Ni/Pd core/shell nanoparticles were synthesized by simply heating the reaction mixture composed of acetylacetonates of nickel and palladium. Using alternative chalcogen reagents, we synthesized uniform nanocrystals of various metal chalcogenides. Uniform nanocrystals of PbS, ZnS, CdS, and MnS were obtained by heating reaction mixtures composed of metal chlorides and sulfur dissolved in oleylamine. In the future, a detailed understanding of nanocrystal formation kinetics and synthetic chemistry will lead to the synthesis of uniform nanocrystals with controlled size, shape, and composition. In particular, the synthesis of uniform nanocrystals of doped materials, core/shell materials, and multicomponent materials is still a challenge. We expect that these uniformly sized nanocrystals will find important applications in areas including information technology, biomedicine, and energy/environmental technology.

Spatial analysis of subsoil compaction on cultivated land by means of penetrometry, electrical resistence tomography and X-ray computed tomography

NASA Astrophysics Data System (ADS)

Zumr, David; Vláčilová, Markéta; Dostál, Tomáš; Jeřábek, Jakub; Sobotková, Martina; Sněhota, Michal

2015-04-01

Soil compaction is a well recognized phenomena in the agricultural land. Various effects can alter the degree of the compaction in the field. The topsoil is regularly loosened due to agrotechnical operations, but the subsoil remains usually compacted. Various studies show increasing bulk density and decreasing saturated hydraulic conductivity in the plough pan, even though some authors argue that it does not have to be always the case due to presence of bio-macropores. Hence the structural properties of the subsoil and the spatial distribution of the compacted layer depth within the cultivated fields are important factors influencing soil water regime, nutrients regime and runoff generation. The aim of the contribution is to present the results of the monitoring of the plough pan depth spatial distribution at the experimental catchment Nucice (Central Bohemia, Czech Republic). The soils are classified as Luvisols and Cambisols with a loamy Ap horizon (0.1 - 0.2 m deep) underlined by a silty and silty-clay B horizon. The content of clay particles in the topsoil is around 8%. The soil has low inner aggregate (soil matrix) hydraulic conductivity, with measured values of approximately 0.1 - 2 cm d-1. The bulk topsoil saturated hydraulic conductivity (Ks) is significantly higher and varies depending on the season. To observe the divide between topsoil and subsoil layers in detail and to be able to compare the soil structure and pore networks of both layers we inspected undisturbed soil samples with X-ray computed tomography. The divide between the conservatively tilled topsoil and the subsoil is clearly observable also on terrain. To identify its exact position we implemented a combination of penetrometry, soil sampling and electrical resistance tomography (ERT). The penetration tests accompanied by soil probing were done in an irregular network across the whole catchment based on the slopes and distance to the stream. Several 2D ERT measurements were done locally on a plot of approximately 10 x 50 m. Dipole-dipole scheme with electrode span of 10 cm was used. The results obtained by different techniques are in a good agreement with observed plough pan position. The contribution was prepared within the project of Czech Science Foundation No. 13-20388P. We thank Johannes Koestel from SLU Uppsala for his great help during CT imaging of the soil samples.

Algorithm for Automatic Detection, Localization and Characterization of Magnetic Dipole Targets Using the Laser Scalar Gradiometer

DTIC Science & Technology

2016-06-01

TECHNICAL REPORT Algorithm for Automatic Detection, Localization and Characterization of Magnetic Dipole Targets Using the Laser Scalar...Automatic Detection, Localization and Characterization of Magnetic Dipole Targets Using the Laser Scalar Gradiometer Leon Vaizer, Jesse Angle, Neil...of Magnetic Dipole Targets Using LSG i June 2016 TABLE OF CONTENTS INTRODUCTION

The carbonyl oxide-aldehyde complex: a new intermediate of the ozonolysis reaction

NASA Astrophysics Data System (ADS)

Cremer, Dieter; Kraka, Elfi; McKee, M. L.; Radharkrishnan, T. P.

1991-12-01

MP4(SDQ)/6-31G (d,p) calculations suggest that the ozonolysis of alkenes in solution phase does not proceed via carbonyl oxide, but via a dipole complex between aldehyde and carbonyl oxide, which is 9 kcal/mol more stable than the separated molecules. The dipole complex is probably formed in the solvent cage upon decomposition of primary ozonide to aldehyde and carbonyl oxide. Rotation of either aldehyde or carbonyl oxide in the solvent cage leads to an antiparallel alignment of molecular dipole moments and dipole-dipole attraction.

Temperature coefficient of the dipole moment of poly(4-chlorostyrene, 4-methylstyrene) copolymers in benzene solutions

NASA Astrophysics Data System (ADS)

Mashimo, S.; Nozaki, R.; Work, R. N.

1982-09-01

Mean square values of the dipole moments of poly(4-chlorostyrene) and copolymers of poly(4-chlorostyrene, 4-methylstyrene) have been determined at up to five different temperatures. There is a significant positive temperature coefficient of the mean square dipole moment. Curves of the dipole moments and of the slopes, normalized to unity at P4CS, have essentially the same shapes. The copolymers in benzene solutions lead to values of the mean square dipole moments that are about 20% larger than measurements in p-xylene.

Methods for Room Acoustic Analysis and Synthesis using a Monopole-Dipole Microphone Array

NASA Technical Reports Server (NTRS)

Abel, J. S.; Begault, Durand R.; Null, Cynthia H. (Technical Monitor)

1998-01-01

In recent work, a microphone array consisting of an omnidirectional microphone and colocated dipole microphones having orthogonally aligned dipole axes was used to examine the directional nature of a room impulse response. The arrival of significant reflections was indicated by peaks in the power of the omnidirectional microphone response; reflection direction of arrival was revealed by comparing zero-lag crosscorrelations between the omnidirectional response and the dipole responses to the omnidirectional response power to estimate arrival direction cosines with respect to the dipole axes.

BKT phase transition in a 2D system with long-range dipole-dipole interaction

NASA Astrophysics Data System (ADS)

Fedichev, P. O.; Men'shikov, L. I.

2012-01-01

We consider phase transitions in 2D XY-like systems with long-range dipole-dipole interactions and demonstrate that BKT-type phase transition always occurs separating the ordered (ferroelectric) and the disordered (paraelectric) phases. The low-temperature phase corresponds to a thermal state with bound vortex-antivortex pairs characterized by linear attraction at large distances. Using the Maier-Schwabl topological charge model, we show that bound vortex pairs polarize and screen the vortex-antivortex interaction, leaving only the logarithmic attraction at sufficiently large separations between the vortices. At higher temperatures the pairs dissociate and the phase transition similar to BKT occurs, though at a larger temperature than in a system without the dipole-dipole interaction.

Electrical Deflection of Polar Liquid Streams: A Misunderstood Demonstration

NASA Astrophysics Data System (ADS)

Ziaei-Moayyed, Maryam; Goodman, Edward; Williams, Peter

2000-11-01

The electrical deflection of polar liquid streams, commonly used as a textbook illustration of the behavior of polar molecules, is shown to be due to the formation of electrically charged droplets in the polar liquid stream, induced by a nearby charged object, rather than any force exerted on molecular dipoles. Streams of water and polar organic liquids could be deflected in a uniform electric field, which could not have exerted any force on dipolar species. Water and polar organic liquid streams formed within a grounded, electrically screened region could not be deflected after exiting the screened region, demonstrating that there is no electrical force on uncharged polar liquid droplets. Induced charging was observed also in insulating polar organic liquids and is suggested to be due to ionic impurities. A weak deflection of a stream of a nonpolar liquid (tetrachloroethylene) was also observed, indicating that such impurity effects are quite general, even in nonpolar liquids.

Classical and quantum filaments in the ground state of trapped dipolar Bose gases

NASA Astrophysics Data System (ADS)

Cinti, Fabio; Boninsegni, Massimo

2017-07-01

We study, by quantum Monte Carlo simulations, the ground state of a harmonically confined dipolar Bose gas with aligned dipole moments and with the inclusion of a repulsive two-body potential of varying range. Two different limits can clearly be identified, namely, a classical one in which the attractive part of the dipolar interaction dominates and the system forms an ordered array of parallel filaments and a quantum-mechanical one, wherein filaments are destabilized by zero-point motion, and eventually the ground state becomes a uniform cloud. The physical character of the system smoothly evolves from classical to quantum mechanical as the range of the repulsive two-body potential increases. An intermediate regime is observed in which ordered filaments are still present, albeit forming different structures from the ones predicted classically; quantum-mechanical exchanges of indistinguishable particles across different filaments allow phase coherence to be established, underlying a global superfluid response.

Accurate van der Waals coefficients from density functional theory

PubMed Central

Tao, Jianmin; Perdew, John P.; Ruzsinszky, Adrienn

2012-01-01

The van der Waals interaction is a weak, long-range correlation, arising from quantum electronic charge fluctuations. This interaction affects many properties of materials. A simple and yet accurate estimate of this effect will facilitate computer simulation of complex molecular materials and drug design. Here we develop a fast approach for accurate evaluation of dynamic multipole polarizabilities and van der Waals (vdW) coefficients of all orders from the electron density and static multipole polarizabilities of each atom or other spherical object, without empirical fitting. Our dynamic polarizabilities (dipole, quadrupole, octupole, etc.) are exact in the zero- and high-frequency limits, and exact at all frequencies for a metallic sphere of uniform density. Our theory predicts dynamic multipole polarizabilities in excellent agreement with more expensive many-body methods, and yields therefrom vdW coefficients C6, C8, C10 for atom pairs with a mean absolute relative error of only 3%. PMID:22205765

The Muon g-2 Experiment overview and status as of June 2016

DOE PAGES

Holzbauer, J. L.

2016-12-09

The Muon g-2 Experiment at Fermilab will measure the anomalous magnetic moment of the muon to a precision of 140 parts per billion, which is a factor of four improvement over the previous E821 measurement at Brookhaven. The experiment will also extend the search for the electric dipole moment (EDM) of the muon by approximately two orders of magnitude, with a sensitivity down to 10 -21 e.cm. Both of these measurements are made by combining a precise measurement of the 1.45T storage ring magnetic field with an analysis of the modulation of the decay rate of higher-energy positrons (from anti-muons),more » recorded by 24 calorimeters and 3 straw tracking detectors. Furthermore, the recent progress in the alignment of the electrostatic quadrapole plates and the trolley rails inside the vacuum chambers, and in establishing the uniform storage ring magnetic field will be described.« less

Engineered spin-spin interactions on a 2D array of trapped ions

NASA Astrophysics Data System (ADS)

Britton, Joe; Sawyer, Brian; Bollinger, John

2013-05-01

We work with laser cooled 9Be+ ions confined in a Penning trap to simulate quantum magnetic interactions. The valence electron of each ion behaves as an ideal spin- 1 / 2 particle. We recently demonstrated a uniform anti-ferromagnetic Ising interaction on a naturally occurring two-dimensional (2D) triangular crystal of 100 < N < 350 ions. The Ising interaction is generated by a spin-dependent optical dipole force (ODF). For spins separated by distance d, we show that the range can be tuned according to (d / d 0)-a, for 0 < a < 3 . For different operating parameters we can also generate an infinite range ferromagnetic Ising interaction. We also use the ODF for spectroscopy and thermometry of the normal modes of the trapped ion array. A detailed understanding of the modes is important because they mediate the spin-spin interactions. This work is supported by NIST and the DARPA OLE program.

On second harmonic generation and multiphoton-absorption induced luminescence from laser-reshaped silver nanoparticles embedded in glass.

PubMed

Zolotovskaya, S A; Tyrk, M A; Stalmashonak, A; Gillespie, W A; Abdolvand, A

2016-10-28

Spherical silver nanoparticles (NPs) of 30 nm diameter embedded in soda-lime glass were uniformly reshaped (elongated) after irradiation by a linearly polarised 250 fs pulsed laser operating within the NPs' surface plasmon resonance band. We observed second harmonic generation (SHG) and multiphoton-absorption-induced luminescence (MAIL) in the embedded laser-reshaped NPs upon picosecond (10 ps) pulsed laser excitation at 1064 nm. A complementary study of SHG and MAIL was conducted in soda-lime glass containing embedded, mechanically-reshaped silver NPs of a similar elongation ratio (aspect ratio) to the laser-reshaped NPs. This supports the notion that the observed difference in SHG and MAIL in the studied nanocomposite systems is due to the shape modification mechanism. The discrete dipole approximation method was used to assess the absorption and scattering cross-sections of the reshaped NPs with different elongation ratios.

Adsorption behavior of acetone solvent at the HMX crystal faces: A molecular dynamics study.

PubMed

Liu, Yingzhe; Yu, Tao; Lai, Weipeng; Ma, Yiding; Kang, Ying; Ge, Zhongxue

2017-06-01

Molecular dynamics simulations have been performed to understand the adsorption behavior of acetone (AC) solvent at the three surfaces of 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctan (HMX) crystal, i.e. (011), (110), and (020) faces. The simulation results show that the structural features and electrostatic potentials of crystal faces are determined by the HMX molecular packing, inducing distinct mass density distribution, dipole orientation, and diffusion of solvent molecules in the interfacial regions. The solvent adsorption is mainly governed by the van der Waals forces, and the crystal-solvent interaction energies among three systems are ranked as (020)≈(110)>(011). The adsorption sites for solvent incorporation at the crystal surface were found and visualized with the aid of occupancy analysis. A uniform arrangement of adsorption sites is observed at the rough (020) surface as a result of ordered adsorption motif. Copyright © 2017 Elsevier Inc. All rights reserved.

The Muon g-2 Experiment Overview and Status as of June 2016

NASA Astrophysics Data System (ADS)

Holzbauer, J.

2016-11-01

The Muon g-2 Experiment at Fermilab will measure the anomalous magnetic moment of the muon to a precision of 140 parts per billion, which is a factor of four improvement over the previous E821 measurement at Brookhaven. The experiment will also extend the search for the electric dipole moment (EDM) of the muon by approximately two orders of magnitude, with a sensitivity down to 10-21 e.cm. Both of these measurements are made by combining a precise measurement of the 1.45T storage ring magnetic field with an analysis of the modulation of the decay rate of higher-energy positrons (from anti-muons), recorded by 24 calorimeters and 3 straw tracking detectors. The recent progress in the alignment of the electrostatic quadrapole plates and the trolley rails inside the vacuum chambers, and in establishing the uniform storage ring magnetic field will be described.

Electronic and magnetic properties of RMnO3/AMnO3 heterostructures

NASA Astrophysics Data System (ADS)

Yu, Rong; Yunoki, Seiji; Dong, Shuai; Dagotto, Elbio

2009-09-01

The ground-state properties of RMnO3/AMnO3 (RMO/AMO) heterostructures (with R=La,Pr,… , a trivalent rare-earth cation and A=Sr,Ca,… , a divalent alkaline cation) are studied using a two-orbital double-exchange model including the superexchange coupling and Jahn-Teller lattice distortions. To describe the charge transfer across the interface, the long-range Coulomb interaction is taken into account at the mean-field level, by self-consistently solving the Poisson’s equation. The calculations are carried out numerically on finite clusters. We find that the state stabilized near the interface of the heterostructure is similar to the state of the bulk compound (R,A)MO at electronic density close to 0.5. For instance, a charge and orbitally ordered CE state is found at the interface if the corresponding bulk (R,A)MO material is a narrow-to-intermediate bandwidth manganite. But instead the interface regime accommodates an A-type antiferromagnetic state with a uniform x2-y2 orbital order, if the bulk (R,A)MO corresponds to a wide bandwidth manganite. We argue that these results explain some of the properties of long-period (RMO)m/(AMO)n superlattices, such as (PrMnO3)m/(CaMnO3)n and (LaMnO3)m/(SrMnO3)n . We also remark that the intermediate states in between the actual interface and the bulklike regimes of the heterostructure are dependent on the bandwidth and the screening of the Coulomb interaction. In these regions of the heterostructures, states are found that do not have an analog in experimentally known bulk phase diagrams. These new states of the heterostructures provide a natural interpolation between magnetically ordered states that are stable in the bulk at different electronic densities.

Measurements of size-fractionated concentration and bulk dry deposition of atmospheric particulate bound mercury

NASA Astrophysics Data System (ADS)

Fang, G. C.; Zhang, L.; Huang, C. S.

2012-12-01

Daily samples of size-fractionated (18, 10, 2.5 and 1.0 μm) particulate-bound mercury Hg(p) were collected using Micro-Orifice Uniform Deposition Impactors (MOUDI), on randomly selected days each month between November 2010 and July 2011, at a traffic site (Hungkuang), a wetland site (Gaomei), and an industrial site (Quanxing) in central Taiwan. Bulk dry deposition was also collected simultaneously using a surrogate surface. The nine-month average (±standard deviation) Hg(p) concentrations were 0.57 (±0.90), 0.17 (±0.27), and 0.94 (±0.92) ng m-3 at Hungkuang, Gaomei, and Quanxing, respectively. Concentrations in November and December were much higher than in the other months due to a combination of high local emissions and meteorological conditions. PM1.0 contributed more than 50% to the bulk concentration at the traffic and the industrial sites, but only contributed 25% at the wetland site. PM1.0-2.5 contributed 25%-50%, depending on location, to the bulk mass. Coarse fraction (PM2.5-18) contributed 7% at Hungkuang, 25% at Gaomei, and 19% at Quanxing. Samples with very high bulk concentrations had large fine fractions. Annual dry deposition estimated from the surrogate surface measurements was in the range of 30-85 μg m-2 yr-1 at the three sites. Coarse particulate Hg(p) were estimated to contribute 50-85% of the total Hg(p) dry deposition. Daily dry deposition velocities (Vd) ranged from 0.01 to 7.7 cm s-1. The annual Vd generated from the total measured fluxes was 0.34, 0.60 and 0.29 cm s-1 at Hungkuang, Gaomei, and Quanxing, respectively. These values can be reasonably reproduced using a size-resolved model and measured size fractions.

Fluctuations of local electric field and dipole moments in water between metal walls.

PubMed

Takae, Kyohei; Onuki, Akira

2015-10-21

We examine the thermal fluctuations of the local electric field Ek (loc) and the dipole moment μk in liquid water at T = 298 K between metal walls in electric field applied in the perpendicular direction. We use analytic theory and molecular dynamics simulation. In this situation, there is a global electrostatic coupling between the surface charges on the walls and the polarization in the bulk. Then, the correlation function of the polarization density pz(r) along the applied field contains a homogeneous part inversely proportional to the cell volume V. Accounting for the long-range dipolar interaction, we derive the Kirkwood-Fröhlich formula for the polarization fluctuations when the specimen volume v is much smaller than V. However, for not small v/V, the homogeneous part comes into play in dielectric relations. We also calculate the distribution of Ek (loc) in applied field. As a unique feature of water, its magnitude |Ek (loc)| obeys a Gaussian distribution with a large mean value E0 ≅ 17 V/nm, which arises mainly from the surrounding hydrogen-bonded molecules. Since |μk|E0 ∼ 30kBT, μk becomes mostly parallel to Ek (loc). As a result, the orientation distributions of these two vectors nearly coincide, assuming the classical exponential form. In dynamics, the component of μk(t) parallel to Ek (loc)(t) changes on the time scale of the hydrogen bonds ∼5 ps, while its smaller perpendicular component undergoes librational motions on time scales of 0.01 ps.

Influence of Polarization on Carbohydrate Hydration: A Comparative Study Using Additive and Polarizable Force Fields.

PubMed

Pandey, Poonam; Mallajosyula, Sairam S

2016-07-14

Carbohydrates are known to closely modulate their surrounding solvent structures and influence solvation dynamics. Spectroscopic investigations studying far-IR regions (below 1000 cm(-1)) have observed spectral shifts in the libration band (around 600 cm(-1)) of water in the presence of monosaccharides and polysaccharides. In this paper, we use molecular dynamics simulations to gain atomistic insight into carbohydrate-water interactions and to specifically highlight the differences between additive (nonpolarizable) and polarizable simulations. A total of six monosaccharide systems, α and β anomers of glucose, galactose, and mannose, were studied using additive and polarizable Chemistry at HARvard Macromolecular Mechanics (CHARMM) carbohydrate force fields. Solvents were modeled using three additive water models TIP3P, TIP4P, and TIP5P in additive simulations and polarizable water model SWM4 in polarizable simulations. The presence of carbohydrate has a significant effect on the microscopic water structure, with the effects being pronounced for proximal water molecules. Notably, disruption of the tetrahedral arrangement of proximal water molecules was observed due to the formation of strong carbohydrate-water hydrogen bonds in both additive and polarizable simulations. However, the inclusion of polarization resulted in significant water-bridge occupancies, improved ordered water structures (tetrahedral order parameter), and longer carbohydrate-water H-bond correlations as compared to those for additive simulations. Additionally, polarizable simulations also allowed the calculation of power spectra from the dipole-dipole autocorrelation function, which corresponds to the IR spectra. From the power spectra, we could identify spectral signatures differentiating the proximal and bulk water structures, which could not be captured from additive simulations.

Size effects in PbTiO3 nanocrystals: Effect of particle size on spontaneous polarization and strains

NASA Astrophysics Data System (ADS)

Akdogan, E. K.; Rawn, C. J.; Porter, W. D.; Payzant, E. A.; Safari, A.

2005-04-01

The spontaneous polarization (Ps) and spontaneous strains (xi) in mechanically unclamped and surface charge compensated PbTiO3 nanocrystals were determined as a function of particle size in the range <150nm by differential scanning calorimetry and x-ray powder diffraction, respectively. Significant deviations from bulk order parameters (P,xi) have been observed as the particle size decreased below ˜100nm. The critical size (rc) below which the ferroelectric tetragonal phase transforms to the paraelectric cubic phase was determined as ˜15nm. The depression in transition temperature with particle size is 14 °C at 28 nm. No change in the order of m3m →4mm ferrodistortive phase transition is observed. A simple analysis showed that ΔHtr/(kBT )˜103 at 25 °C for r =16nm, indicating that the stabilization of the cubic phase at rc cannot be linked to an instability in dipolar ordering due to thermal agitations. Comparison of the spontaneous volumetric strains with the strain induced by surface stress indicated that the effect of surface stress on ferroelectric phase stability was negligible. Anomalies in electrostrictive properties were determined for r →rc. The observed size dependence of PS is attributed to the reduced extent of long-range dipole-dipole interactions that arise due to the changes in bonding characteristics of ions with decreasing particle size in the perovskite lattice, in conformity with a recent study by Tsunekawa et al. [Phys. Rev. Lett. 85 (16), 4340 (2000)].

Magnetic properties of Proxima Centauri b analogues

NASA Astrophysics Data System (ADS)

Zuluaga, Jorge I.; Bustamante, Sebastian

2018-03-01

The discovery of a planet around the closest star to our Sun, Proxima Centauri, represents a quantum leap in the testability of exoplanetary models. Unlike any other discovered exoplanet, models of Proxima b could be contrasted against near future telescopic observations and far future in-situ measurements. In this paper we aim at predicting the planetary radius and the magnetic properties (dynamo lifetime and magnetic dipole moment) of Proxima b analogues (solid planets with masses of ∼ 1 - 3M⊕ , rotation periods of several days and habitable conditions). For this purpose we build a grid of planetary models with a wide range of compositions and masses. For each point in the grid we run the planetary evolution model developed in Zuluaga et al. (2013). Our model assumes small orbital eccentricity, negligible tidal heating and earth-like radiogenic mantle elements abundances. We devise a statistical methodology to estimate the posterior distribution of the desired planetary properties assuming simple lprior distributions for the orbital inclination and bulk composition. Our model predicts that Proxima b would have a mass 1.3 ≤Mp ≤ 2.3M⊕ and a radius Rp =1.4-0.2+0.3R⊕ . In our simulations, most Proxima b analogues develop intrinsic dynamos that last for ≥4 Gyr (the estimated age of the host star). If alive, the dynamo of Proxima b have a dipole moment ℳdip >0.32÷2.9×2.3ℳdip , ⊕ . These results are not restricted to Proxima b but they also apply to earth-like planets having similar observed properties.

Phase aggregation and morphology effects on nanocarbon optoelectronics.

PubMed

Xie, Yu; Lohrman, Jessica; Ren, Shenqiang

2014-12-05

Controllable morphology and interfacial interactions within bulk heterojunction nanostructures show significant effects on optoelectronic device applications. In this study, a nanocarbon heterojunction, consisting of single-walled carbon nanotubes (s-SWCNTs) and fullerene derivatives, is reported by assembling/blending its structures through solution-based processes. A uniform and dense graphene oxide hole transport layer is used to facilitate the photoconversion at a near infrared (NIR) wavelength. Effective interfacial interaction between the s-SWCNTs and fullerene is suggested by the redshifted photoabsorption and nanoscale/micron-scale fluorescence, which is associated with self-assembled nanocarbon morphology.

Satellite economics in the 1980's

NASA Astrophysics Data System (ADS)

Morgan, W. L.

1980-01-01

Satellite traffic, competition, and decreasing costs are discussed, as are capabilities in telecommunication (including entertainment) and computation. Also considered are future teleconferencing and telecommuting to offset the cost of transportation, the establishment of a manufacturer-to-user link for increased home minicomputer capability, and an increase of digital over analog traffic. It is suggested that transcontinental bulk traffic, high-speed data, and multipoint private networks will eventually be handled by satellites which are cost-insensitive to distance, readily match dynamically varying multipoint networks, and have uniformly wide bandwidths available to both major cities and isolated towns.

Freestanding diamond films: plates, tubes, and curved diaphragms

NASA Astrophysics Data System (ADS)

Obata, Tatsuo; Morimoto, Shingo

1990-01-01

Free-standing diamond films are prepared by CVD technique to examine their properties directly. The products have a variety of shapes such as plates, tubes and curved diaphragms. Coefficients of thermal expansion (GTE) of the tube are similar to the values of a bulk diamond in the range from 40°C to 500°C. It is found that polished diamond film has uniform infrared transmission ranging from 500cm-1 to 4000cm-1. A speaker diaphragm will be a good application for free-standing diamond film.

Liquid-gas phase transition in asymmetric nuclear matter at finite temperature

NASA Astrophysics Data System (ADS)

Maruyama, Toshiki; Tatsumi, Toshitaka; Chiba, Satoshi

2010-03-01

Liquid-gas phase transition is discussed in warm asymmetric nuclear matter. Some peculiar features are figured out from the viewpoint of the basic thermodynamics about the phase equilibrium. We treat the mixed phase of the binary system based on the Gibbs conditions. When the Coulomb interaction is included, the mixed phase is no more uniform and the sequence of the pasta structures appears. Comparing the results with those given by the simple bulk calculation without the Coulomb interaction, we extract specific features of the pasta structures at finite temperature.

The Special Features of the Deformation Behavior of an Ultrafine-Grained Aluminum Alloy of the Al-Mg-Li System at Room Temperature

NASA Astrophysics Data System (ADS)

Naydenkin, E. V.; Mishin, I. P.; Ivanov, K. V.

2015-04-01

The special features of the deformation behavior of an ultrafine-grained aluminum alloy produced by severe plastic deformation are investigated. Unlike ultrafine-grained pure aluminum, the second-phase particles precipitated in the bulk and at the grain boundaries of the alloy are shown to hinder the development of grain boundary sliding and plastic strain localization. This increases the length of the strain hardening stage and uniformity of elongation of a heterogeneous aluminum alloy specimen as compared to pure aluminum.

Theory of elastic interaction between arbitrary colloidal particles in confined nematic liquid crystals.

PubMed

Tovkach, O M; Chernyshuk, S B; Lev, B I

2012-12-01

We develop the method proposed by Chernyshuk and Lev [Phys. Rev. E 81, 041701 (2010)] for theoretical investigation of elastic interactions between colloidal particles of arbitrary shape and chirality (polar as well as azimuthal anchoring) in the confined nematic liquid crystal (NLC). General expressions for six different types of multipole elastic interactions are obtained in the confined NLC: monopole-monopole (Coulomb type), monopole-dipole, monopole-quadrupole, dipole-dipole, dipole-quadrupole, and quadrupole-quadrupole interactions. The obtained formulas remain valid in the presence of the external electric or magnetic fields. The exact equations are found for all multipole coefficients for the weak anchoring case. For the strong anchoring coupling, the connection between the symmetry of the shape or director and multipole coefficients is obtained, which enables us to predict which multipole coefficients vanish and which remain nonzero. The particles with azimuthal helicoid anchoring are considered as an example. Dipole-dipole interactions between helicoid cylinders and cones are found in the confined NLC. In addition, the banana-shaped particles in homeotropic and planar nematic cells are considered. It is found that the dipole-dipole interaction between banana-shaped particles differs greatly from the dipole-dipole interaction between the axially symmetrical particles in the nematic cell. There is a crossover from attraction to repulsion between banana particles along some directions in nematic cells. It is shown that monopoles do not "feel" the type of nematic cell: monopole-monopole interaction turns out to be the same in homeotropic and planar nematic cells and converges to the Coulomb law as thickness increases, L→∞.

Quantification of tracer plume transport parameters in 2D saturated porous media by cross-borehole ERT imaging

NASA Astrophysics Data System (ADS)

Lekmine, G.; Auradou, H.; Pessel, M.; Rayner, J. L.

2017-04-01

Cross-borehole ERT imaging was tested to quantify the average velocity and transport parameters of tracer plumes in saturated porous media. Seven tracer tests were performed at different flow rates and monitored by either a vertical or horizontal dipole-dipole ERT sequence. These sequences were tested to reconstruct the shape and temporally follow the spread of the tracer plumes through a background regularization procedure. Data sets were inverted with the same inversion parameters and 2D model sections of resistivity ratios were converted to tracer concentrations. Both array types provided an accurate estimation of the average pore velocity vz. The total mass Mtot recovered was always overestimated by the horizontal dipole-dipole and underestimated by the vertical dipole-dipole. The vertical dipole-dipole was however reliable to quantify the longitudinal dispersivity λz, while the horizontal dipole-dipole returned better estimation for the transverse component λx. λ and Mtot were mainly influenced by the 2D distribution of the cumulated electrical sensitivity and the Shadow Effects induced by the third dimension. The size reduction of the edge of the plume was also related to the inability of the inversion process to reconstruct sharp resistivity contrasts at the interface. Smoothing was counterbalanced by a non-realistic rise of the ERT concentrations around the centre of mass returning overpredicted total masses. A sensitivity analysis on the cementation factor m and the porosity ϕ demonstrated that a change in one of these parameters by 8% involved non negligible variations by 30 and 40% of the dispersion coefficients and mass recovery.

Multiple transparency windows and Fano interferences induced by dipole-dipole couplings

NASA Astrophysics Data System (ADS)

Diniz, E. C.; Borges, H. S.; Villas-Boas, C. J.

2018-04-01

We investigate the optical properties of a two-level system (TLS) coupled to a one-dimensional array of N other TLSs with dipole-dipole coupling between the first neighbors. The first TLS is probed by a weak field, and we assume that it has a decay rate much greater than the decay rates of the other TLSs. For N =1 and in the limit of a Rabi frequency of a probe field much smaller than the dipole-dipole coupling, the optical response of the first TLS, i.e., its absorption and dispersion, is equivalent to that of a three-level atomic system in the configuration which allows one to observe the electromagnetically induced transparency (EIT) phenomenon. Thus, here we investigate an induced transparency phenomenon where the dipole-dipole coupling plays the same role as the control field in EIT in three-level atoms. We describe this physical phenomenon, named a dipole-induced transparency (DIT), and investigate how it scales with the number of coupled TLSs. In particular, we have shown that the number of TLSs coupled to the main TLS is exactly equal to the number of transparency windows. The ideas presented here are very general and can be implemented in different physical systems, such as an array of superconducting qubits, or an array of quantum dots, spin chains, optical lattices, etc.

Determination of ground and excited state dipole moments via electronic Stark spectroscopy: 5-methoxyindole

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

Wilke, Josefin; Wilke, Martin; Schmitt, Michael, E-mail: mschmitt@uni-duesseldorf.de

2016-01-28

The dipole moments of the ground and lowest electronically excited singlet state of 5-methoxyindole have been determined by means of optical Stark spectroscopy in a molecular beam. The resulting spectra arise from a superposition of different field configurations, one with the static electric field almost parallel to the polarization of the exciting laser radiation, the other nearly perpendicular. Each field configuration leads to different intensities in the rovibronic spectrum. With an automated evolutionary algorithm approach, the spectra can be fit and the ratio of both field configurations can be determined. A simultaneous fit of two spectra with both field configurationsmore » improved the precision of the dipole moment determination by a factor of two. We find a reduction of the absolute dipole moment from 1.59(3) D to 1.14(6) D upon electronic excitation to the lowest electronically excited singlet state. At the same time, the dipole moment orientation rotates by 54{sup ∘} showing the importance of the determination of the dipole moment components. The dipole moment in the electronic ground state can approximately be obtained from a vector addition of the indole and the methoxy group dipole moments. However, in the electronically excited state, vector addition completely fails to describe the observed dipole moment. Several reasons for this behavior are discussed.« less

Visualizing Special Relativity: The Field of An Electric Dipole Moving at Relativistic Speed

ERIC Educational Resources Information Center

Smith, Glenn S.

2011-01-01

The electromagnetic field is determined for a time-varying electric dipole moving with a constant velocity that is parallel to its moment. Graphics are used to visualize this field in the rest frame of the dipole and in the laboratory frame when the dipole is moving at relativistic speed. Various phenomena from special relativity are clearly…

Effects of Changes to Arc Dipole Length

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

Tepikian, Steven

1994-06-01

The arc dipole magnetic length in the design is 9.45m. The first arc magnets were made with BNL parts and have the proper length, however, the dipoles made with Grumman parts has a shorter magnetic length. The current projected magnet length of the Grumman dipoles is 9.422m. In this note we discuss the consequences of this change.

Broad-band UHF dipole array

NASA Technical Reports Server (NTRS)

Bailey, M. C.

1985-01-01

A 6X6 array of fan-dipoles was designed to operate in the 510 to 660 MHz frequency range for aircraft flight test and evaluation of a UHF radiometer system. A broad-band dipole design operating near the first resonance is detailed. Measured VSWR and radiation patterns for the dipole array demonstrate achievable bandwidths in the 35 percent to 40 percent range.

Optimal control of orientation and entanglement for two dipole-dipole coupled quantum planar rotors.

PubMed

Yu, Hongling; Ho, Tak-San; Rabitz, Herschel

2018-05-09

Optimal control simulations are performed for orientation and entanglement of two dipole-dipole coupled identical quantum rotors. The rotors at various fixed separations lie on a model non-interacting plane with an applied control field. It is shown that optimal control of orientation or entanglement represents two contrasting control scenarios. In particular, the maximally oriented state (MOS) of the two rotors has a zero entanglement entropy and is readily attainable at all rotor separations. Whereas, the contrasting maximally entangled state (MES) has a zero orientation expectation value and is most conveniently attainable at small separations where the dipole-dipole coupling is strong. It is demonstrated that the peak orientation expectation value attained by the MOS at large separations exhibits a long time revival pattern due to the small energy splittings arising form the extremely weak dipole-dipole coupling between the degenerate product states of the two free rotors. Moreover, it is found that the peak entanglement entropy value attained by the MES remains largely unchanged as the two rotors are transported to large separations after turning off the control field. Finally, optimal control simulations of transition dynamics between the MOS and the MES reveal the intricate interplay between orientation and entanglement.

Hidden momentum and the Abraham-Minkowski debate

NASA Astrophysics Data System (ADS)

Saldanha, Pablo L.; Filho, J. S. Oliveira

2017-04-01

We use an extended version of electrodynamics, which admits the existence of magnetic charges and currents, to discuss how different models for electric and magnetic dipoles do or do not carry hidden momentum under the influence of external electromagnetic fields. Based on that, we discuss how the models adopted for the electric and magnetic dipoles from the particles that compose a material medium influence the expression for the electromagnetic part of the light momentum in the medium. We show that Abraham expression is compatible with electric dipoles formed by electric charges and magnetic dipoles formed by magnetic charges, while Minkowski expression is compatible with electric dipoles formed by magnetic currents and magnetic dipoles formed by electric currents. The expression ɛ0E ×B , on the other hand, is shown to be compatible with electric dipoles formed by electric charges and magnetic dipoles formed by electric currents, which are much more natural models. So this expression has an interesting interpretation in the Abraham-Minkowski debate about the momentum of light in a medium: It is the expression compatible with the nonexistence of magnetic charges. We also provide a simple justification of why Abraham and Minkowski momenta can be associated with the kinetic and canonical momentum of light, respectively.

Effects of hydrophobic and dipole-dipole interactions on the conformational transitions of a model polypeptide

NASA Astrophysics Data System (ADS)

Mu, Yan; Gao, Yi Qin

2007-09-01

We studied the effects of hydrophobicity and dipole-dipole interactions between the nearest-neighbor amide planes on the secondary structures of a model polypeptide by calculating the free energy differences between different peptide structures. The free energy calculations were performed with low computational costs using the accelerated Monte Carlo simulation (umbrella sampling) method, with a bias-potential method used earlier in our accelerated molecular dynamics simulations. It was found that the hydrophobic interaction enhances the stability of α helices at both low and high temperatures but stabilizes β structures only at high temperatures at which α helices are not stable. The nearest-neighbor dipole-dipole interaction stabilizes β structures under all conditions, especially in the low temperature region where α helices are the stable structures. Our results indicate clearly that the dipole-dipole interaction between the nearest neighboring amide planes plays an important role in determining the peptide structures. Current research provides a more unified and quantitative picture for understanding the effects of different forms of interactions on polypeptide structures. In addition, the present model can be extended to describe DNA/RNA, polymer, copolymer, and other chain systems.

A master equation for strongly interacting dipoles

NASA Astrophysics Data System (ADS)

Stokes, Adam; Nazir, Ahsan

2018-04-01

We consider a pair of dipoles such as Rydberg atoms for which direct electrostatic dipole–dipole interactions may be significantly larger than the coupling to transverse radiation. We derive a master equation using the Coulomb gauge, which naturally enables us to include the inter-dipole Coulomb energy within the system Hamiltonian rather than the interaction. In contrast, the standard master equation for a two-dipole system, which depends entirely on well-known gauge-invariant S-matrix elements, is usually derived using the multipolar gauge, wherein there is no explicit inter-dipole Coulomb interaction. We show using a generalised arbitrary-gauge light-matter Hamiltonian that this master equation is obtained in other gauges only if the inter-dipole Coulomb interaction is kept within the interaction Hamiltonian rather than the unperturbed part as in our derivation. Thus, our master equation depends on different S-matrix elements, which give separation-dependent corrections to the standard matrix elements describing resonant energy transfer and collective decay. The two master equations coincide in the large separation limit where static couplings are negligible. We provide an application of our master equation by finding separation-dependent corrections to the natural emission spectrum of the two-dipole system.

Dipole response of 76Se above 4 MeV

NASA Astrophysics Data System (ADS)

Goddard, P. M.; Cooper, N.; Werner, V.; Rusev, G.; Stevenson, P. D.; Rios, A.; Bernards, C.; Chakraborty, A.; Crider, B. P.; Glorius, J.; Ilieva, R. S.; Kelley, J. H.; Kwan, E.; Peters, E. E.; Pietralla, N.; Raut, R.; Romig, C.; Savran, D.; Schnorrenberger, L.; Smith, M. K.; Sonnabend, K.; Tonchev, A. P.; Tornow, W.; Yates, S. W.

2013-12-01

The dipole response of 3476Se in the energy range from 4 to 9 MeV has been analyzed using a (γ⃗,γ') polarized photon scattering technique, performed at the High Intensity γ-Ray Source facility at Triangle Universities Nuclear Laboratory, to complement previous work performed using unpolarized photons. The results of this work offer both an enhanced sensitivity scan of the dipole response and an unambiguous determination of the parities of the observed J=1 states. The dipole response is found to be dominated by E1 excitations, and can reasonably be attributed to a pygmy dipole resonance. Evidence is presented to suggest that a significant amount of directly unobserved excitation strength is present in the region, due to unobserved branching transitions in the decays of resonantly excited states. The dipole response of the region is underestimated when considering only ground state decay branches. We investigate the electric dipole response theoretically, performing calculations in a three-dimensional (3D) Cartesian-basis time-dependent Skyrme-Hartree-Fock framework.

Anisotropy-Induced Quantum Interference and Population Trapping between Orthogonal Quantum Dot Exciton States in Semiconductor Cavity Systems

NASA Astrophysics Data System (ADS)

Hughes, Stephen; Agarwal, Girish S.

2017-02-01

We describe how quantum dot semiconductor cavity systems can be engineered to realize anisotropy-induced dipole-dipole coupling between orthogonal dipole states in a single quantum dot. Quantum dots in single-mode cavity structures as well as photonic crystal waveguides coupled to spin states or linearly polarized excitons are considered. We demonstrate how the dipole-dipole coupling can control the radiative decay rate of excitons and form pure entangled states in the long time limit. We investigate both field-free entanglement evolution and coherently pumped exciton regimes, and show how a double-field pumping scenario can completely eliminate the decay of coherent Rabi oscillations and lead to population trapping. In the Mollow triplet regime, we explore the emitted spectra from the driven dipoles and show how a nonpumped dipole can take on the form of a spectral triplet, quintuplet, or a singlet, which has applications for producing subnatural linewidth single photons and more easily accessing regimes of high-field quantum optics and cavity-QED.

Understanding the Interface Dipole of Copper Phthalocyanine (CuPc)/C60: Theory and Experiment.

PubMed

Sai, Na; Gearba, Raluca; Dolocan, Andrei; Tritsch, John R; Chan, Wai-Lun; Chelikowsky, James R; Leung, Kevin; Zhu, Xiaoyang

2012-08-16

Interface dipole determines the electronic energy alignment in donor/acceptor interfaces and plays an important role in organic photovoltaics. Here we present a study combining first principles density functional theory (DFT) with ultraviolet photoemission spectroscopy (UPS) and time-of-flight secondary ion mass spectrometry (TOF-SIMS) to investigate the interface dipole, energy level alignment, and structural properties at the interface between CuPc and C60. DFT finds a sizable interface dipole for the face-on orientation, in quantitative agreement with the UPS measurement, and rules out charge transfer as the origin of the interface dipole. Using TOF-SIMS, we show that the interfacial morphology for the bilayer CuPc/C60 film is characterized by molecular intermixing, containing both the face-on and the edge-on orientation. The complementary experimental and theoretical results provide both insight into the origin of the interface dipole and direct evidence for the effect of interfacial morphology on the interface dipole.

Anisotropy-Induced Quantum Interference and Population Trapping between Orthogonal Quantum Dot Exciton States in Semiconductor Cavity Systems.

PubMed

Hughes, Stephen; Agarwal, Girish S

2017-02-10

We describe how quantum dot semiconductor cavity systems can be engineered to realize anisotropy-induced dipole-dipole coupling between orthogonal dipole states in a single quantum dot. Quantum dots in single-mode cavity structures as well as photonic crystal waveguides coupled to spin states or linearly polarized excitons are considered. We demonstrate how the dipole-dipole coupling can control the radiative decay rate of excitons and form pure entangled states in the long time limit. We investigate both field-free entanglement evolution and coherently pumped exciton regimes, and show how a double-field pumping scenario can completely eliminate the decay of coherent Rabi oscillations and lead to population trapping. In the Mollow triplet regime, we explore the emitted spectra from the driven dipoles and show how a nonpumped dipole can take on the form of a spectral triplet, quintuplet, or a singlet, which has applications for producing subnatural linewidth single photons and more easily accessing regimes of high-field quantum optics and cavity-QED.