First-principles calculations of two cubic fluoropervskite compounds: RbFeF3 and RbNiF3

NASA Astrophysics Data System (ADS)

Mubarak, A. A.; Al-Omari, Saleh

2015-05-01

We present first-principles calculations of the structural, elastic, electronic, magnetic and optical properties for RbFeF3 and RbNiF3. The full-potential linear augmented plan wave (FP-LAPW) method within the density functional theory was utilized to perform the present calculations. We employed the generalized gradient approximation as exchange-correlation potential. It was found that the calculated analytical lattice parameters agree with previous studies. The analysis of elastic constants showed that the present compounds are elastically stable and anisotropic. Moreover, both compounds are classified as a ductile compound. The calculations of the band structure and density functional theory revealed that the RbFeF3 compound has a half-metallic behavior while the RbNiF3 compound has a semiconductor behavior with indirect (M-Γ) band gap. The ferromagnetic behavior was studied for both compounds. The optical properties were calculated for the radiation of up to 40 eV. A beneficial optics technology is predicted as revealed from the optical spectra.

First principles predictions of electronic and elastic properties of BaPb2As2 in the ThCr2Si2-type structure

NASA Astrophysics Data System (ADS)

Bourourou, Y.; Amari, S.; Yahiaoui, I. E.; Bouhafs, B.

2018-01-01

A first-principles approach is used to predicts the electronic and elastic properties of BaPb2As2 superconductor compound, using full-potential linearized augmented plane wave plus local orbitals (FP-L/APW+lo) scheme within the local density approximation LDA. The calculated equilibrium structural parameter a agree well with the experiment while the c/a ratio is far away from the experimental result. The band structure, density of states, together with the charge density and chemical bonding are discussed. The calculated elastic constants for our compound indicate that it is mechanically stable at ambient pressure. Polycrystalline elastic moduli (Young's, Bulk, shear Modulus and the Poisson's ratio) were calculated according to the Voigte-Reusse-Hill (VRH) average.

Evolution of the orbitals Dy-4f in the DyB2 compound using the LDA, PBE approximations, and the PBE0 hybrid functional

NASA Astrophysics Data System (ADS)

Rasero Causil, Diego; Ortega López, César; Espitia Rico, Miguel

2018-04-01

Computational calculations of total energy based on density functional theory were used to investigate the structural, electronic, and magnetic properties of the DyB2 compounds in the hexagonal structure. The calculations were carried out by means of the full-potential linearized augmented plane wave (FP-LAPW) method, employing the computational Wien2k package. The local density approximation (LDA) and the generalized gradient approximation (GGA) were used for the electron-electron interactions. Additionally, we used the functional hybrid PBE0 for a better description the electronic and magnetic properties, because the DyB2 compound is a strongly-correlated system. We found that the calculated lattice constant agrees well with the values reported theoretically and experimentally. The density of states (DOS) calculation shows that the compound exhibits a metallic behavior and has magnetic properties, with a total magnetic moment of 5.47 μ0/cell determined mainly by the 4f states of the rare earth elements. The functional PBE0 shows a strong localization of the Dy-4f orbitals.

Theoretical calculation of electron-positron momentum density in YBa 2Cu 3O 7-δ

NASA Astrophysics Data System (ADS)

Massidda, S.

1990-07-01

We present calculations of the electron-positron momentum density for the high- Tc superconductor YBa 2Cu 3O 7-δ for δ=0 and for the insulating parent compound YBa 2Cu 3O 6, based on first-principle electronic structure calculations performed within the local density approximation (LDA) using the full potential linearized augmented plane wave (FLAPW) method. Our results indicate a small overlap of the positron wave function with the CuO 2 plane electrons and, as a consequence, relatively small signals due to the related Fermi surfaces. By contrast, the present calculations show, after the folding of Umklapp terms according to Lock, Crisp and West, clear Fermi surface breaks arising from the Cu-O chain bands. No general agreement with existing experiments allows a clear definition of Fermi surface structures in the latter. A comparison of the calculated momentum with the experimental two-dimensional angular correlation of annihilation radiation (2D-ACAR) recently measured in Geneva shows an overall agreement for the insulating compound, despite the spurious LDA metallic state, and possibly suggests the importance of O vacancies in experiments performed on non-stoichiometric YBa 2Cu 3O 7-δ samples.

Structural, electronic, elastic, thermoelectric and thermodynamic properties of the NbMSb half heusler (M=Fe, Ru, Os) compounds with first principle calculations

NASA Astrophysics Data System (ADS)

Abid, O. Miloud; Menouer, S.; Yakoubi, A.; Khachai, H.; Omran, S. Bin; Murtaza, G.; Prakash, Deo; Khenata, R.; Verma, K. D.

2016-05-01

The structural, electronic, elastic, thermoelectric and thermodynamic properties of NbMSb (M = Fe, Ru, Os) half heusler compounds are reported. The full-potential linearized augmented plane wave (FP-LAPW) plus local orbital (lo) method, based on the density functional theory (DFT) was employed for the present study. The equilibrium lattice parameter results are in good compliance with the available experimental measurements. The electronic band structure and Boltzmann transport calculations indicated a narrow indirect energy band gap for the compound having electronic structure favorable for thermoelectric performance as well as with substantial thermopowers at temperature ranges from 300 K to 800 K. Furthermore, good potential for thermoelectric performance (thermopower S ≥ 500 μeV) was found at higher temperature. In addition, the analysis of the charge density, partial and total densities of states (DOS) of three compounds demonstrate their semiconducting, ionic and covalent characters. Conversely, the calculated values of the Poisson's ratio and the B/G ratio indicate their ductile makeup. The thermal properties of the compounds were calculated by quasi-harmonic Debye model as implemented in the GIBBS code.

DFT-BASED AB INITIO STUDY OF THE ELECTRONIC AND OPTICAL PROPERTIES OF CESIUM BASED FLUORO-PEROVSKITE CsMF3 (M = Ca AND Sr)

NASA Astrophysics Data System (ADS)

Harmel, M.; Khachai, H.; Ameri, M.; Khenata, R.; Baki, N.; Haddou, A.; Abbar, B.; UǦUR, Ş.; Omran, S. Bin; Soyalp, F.

2012-12-01

Density functional theory (DFT) is performed to study the structural, electronic and optical properties of cubic fluoroperovskite AMF3 (A = Cs; M = Ca and Sr) compounds. The calculations are based on the total-energy calculations within the full-potential linearized augmented plane wave (FP-LAPW) method. The exchange-correlation potential is treated by local density approximation (LDA) and generalized gradient approximation (GGA). The structural properties, including lattice constants, bulk modulus and their pressure derivatives are in very good agreement with the available experimental and theoretical data. The calculations of the electronic band structure, density of states and charge density reveal that compounds are both ionic insulators. The optical properties (namely: the real and the imaginary parts of the dielectric function ɛ(ω), the refractive index n(ω) and the extinction coefficient k(ω)) were calculated for radiation up to 40.0 eV.

Half-metallicity in the ferrimagnet [MnII(enH)(H2O)][CrIII(CN)6]·H2O: Ab initio study

NASA Astrophysics Data System (ADS)

Li, N.; Yao, K. L.; Zhong, G. H.; Ching, W. Y.

2013-03-01

The density-functional theory (DFT) within the full potential linearized augmented plane wave (FPLAPW) method is applied to study the two-dimensional achiral soft ferrimagnet [MnII(enH)(H2O)][CrIII(CN)6]·H2O. The phase stability, electronic structure, magnetic and conducting properties are investigated. Our results reveal that the compound has a stable ferrimagnetic ground state in good agreement with the experiment. From the spin density distribution, the spin magnetic moment of the compound is mainly from Cr3+ and Mn2+ ions with small contributions from the oxygen, nitrogen and carbon ions. The calculated electronic band structure predicts the compound to be a half-metal with the spin magnetic moment of 1.000 μB per molecule.

Non-Fermi surface nesting driven commensurate magnetic ordering in Fe-doped S r 2 Ru O 4

DOE PAGES

Zhu, M.; Shanavas, K. V.; Wang, Y.; ...

2017-02-10

Sr 2RuO 4, an unconventional superconductor, is known to possess an incommensurate spin-density wave instability driven by Fermi surface nesting. Here we report a static spin-density wave ordering with a commensurate propagation vector q c = (0.250.250) in Fe-doped Sr 2RuO 4, despite the magnetic fluctuations persisting at the incommensurate wave vectors q ic = (0.30.3L) as in the parent compound. The latter feature is corroborated by the first-principles calculations, which show that Fe substitution barely changes the nesting vector of the Fermi surface. Finally, these results suggest that in addition to the known incommensurate magnetic instability, Sr 2RuO 4more » is also in proximity to a commensurate magnetic tendency that can be stabilized via Fe doping.« less

Lattice dynamical investigation of the Raman and infrared wave numbers and heat capacity properties of the pyrochlores R2Zr2O7 (R = La, Nd, Sm, Eu)

NASA Astrophysics Data System (ADS)

Nandi, S.; Jana, Y. M.; Gupta, H. C.

2018-04-01

A short-range electrostatic forcefield model has been applied for the first time to investigate the Raman and infrared wave numbers in pyrochlore zirconates R2Zr2O7 (R3+ = La, Nd, Sm, Eu). The calculations of phonons involve five stretching and four bending force constants in the Wilson GF matrix method. The calculated phonon wave numbers are in reasonable agreement with the observed spectra in infrared and Raman excitation zones for all of these isomorphous compounds. The contributions of force constants to each mode show a similar trend of variation for all of these compounds. Furthermore, to validate the established forcefield model, we calculated the standard thermodynamic functions, e.g., molar heat capacity, entropy and enthalpy, and compared the results with the previous experimental data for each compound. Using the derived wave numbers for the acoustic and optical modes, the total phonon contribution to the heat capacity was calculated for all these zirconate compounds. The Schottky heat capacity contributions were also calculated for the magnetic compounds, Nd2Zr2O7, Sm2Zr2O7 and Eu2Zr2O7, taking account of crystal-field level schemes of the lanthanide ions. The derived total heat capacity and the integrated values of molar entropy and molar enthalpy showed satisfactory correlations at low temperatures with the experimental results available in the literature for these compounds. At higher temperatures, the discrepancies may be caused by the anharmonic effects of vibrations, phonon dispersion, distribution of phonon density of states, etc.

Traces of charge density waves in NbS 2

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

Leroux, Maxime; Cario, Laurent; Bosak, Alexei

Among transition metal dichalcogenides (TMD), NbS 2 is often considered as the archetypal compound that does not have a charge density wave (CDW) in any of its polytypes. By comparison, close isoelectronic compounds such as NbSe 2, TaS 2, and TaSe 2 all have CDW in at least one polytype. Here we report traces of CDW in the 2H polytype of NbS 2, using diffuse x-ray scattering measurements at 77 K and room temperature. We observe 12 extremely weak satellite peaks located at ±13.9° from →a* and →b* around each Bragg peak in the (h,k,0) plane. These satellite peaks aremore » commensurate with the lattice via 3 →q– →q'= →a*, where →q' is the 120° rotation of →q, and define two √13a × √13a superlattices in real space. These commensurate wave vectors and tilt angle are identical to those of the CDW observed in the 1T polytype of TaS 2 and TaSe 2. In conclusion, to understand this similarity and the faintness of the peaks, we discuss possible sources of local 1T polytype environment in bulk 2H-NbS 2 crystals.« less

Two-photon momentum density in La2-xSrxCuO4 and Nd2-xCexCuO4

NASA Astrophysics Data System (ADS)

Blandin, P.; Massidda, S.; Barbiellini, B.; Jarlborg, T.; Lerch, P.; Manuel, A. A.; Hoffmann, L.; Gauthier, M.; Sadowski, W.; Walker, E.; Peter, M.; Yu, Jaejun; Freeman, A. J.

1992-07-01

We present calculations of the electron-positron momentum density for the high-Tc superconductors La2-xSrxCuO4 and Nd2-xCexCuO4, together with experimental two-dimensional angular correlation of annihilation radiation (2D-ACAR) for Nd2-xCexCuO4. The calculations are based on first-principles electronic structure obtained using the full-potential linearized augmented-plane-wave and the linear muffin-tin orbital methods. Our results indicate a non-negligible overlap of the positron wave function with the CuO2 plane electrons responsible for the Fermi surfaces in these compounds. Therefore, these compounds may be well suited for investigating Fermi-surface-related effects. After the folding of umklapp terms according to Lock, Crisp, and West, the predicted Fermi-surface breaks are mixed with strong effects induced by the positron wave function in La2-xSrxCuO4, while their resolution is better in Nd2-xCexCuO4. A comparison of our calculations with the most recent experimental results for La2-xSrxCuO4 shows good agreement. For Nd2-xCexCuO4 good agreement is observed between theoretical and experimental 2D-ACAR profiles.

Traces of charge density waves in NbS 2

DOE PAGES

Leroux, Maxime; Cario, Laurent; Bosak, Alexei; ...

2018-05-15

Among transition metal dichalcogenides (TMD), NbS 2 is often considered as the archetypal compound that does not have a charge density wave (CDW) in any of its polytypes. By comparison, close isoelectronic compounds such as NbSe 2, TaS 2, and TaSe 2 all have CDW in at least one polytype. Here we report traces of CDW in the 2H polytype of NbS 2, using diffuse x-ray scattering measurements at 77 K and room temperature. We observe 12 extremely weak satellite peaks located at ±13.9° from →a* and →b* around each Bragg peak in the (h,k,0) plane. These satellite peaks aremore » commensurate with the lattice via 3 →q– →q'= →a*, where →q' is the 120° rotation of →q, and define two √13a × √13a superlattices in real space. These commensurate wave vectors and tilt angle are identical to those of the CDW observed in the 1T polytype of TaS 2 and TaSe 2. In conclusion, to understand this similarity and the faintness of the peaks, we discuss possible sources of local 1T polytype environment in bulk 2H-NbS 2 crystals.« less

Impact of the charge density wave state in the electrodynamic response of ZrTe3 -xSex : Optical evidence for a pseudogap phase

NASA Astrophysics Data System (ADS)

Chinotti, M.; Ethiraj, J.; Mirri, C.; Zhu, Xiangde; Li, Lijun; Petrovic, C.; Degiorgi, L.

2018-01-01

The emergence of superconductivity upon progressively suppressing the long-range, charge-density-wave (CDW) order characterizes the phase diagram of several materials of interest in the on-going solid-state physics research. Se-doped ZrTe3 compounds provide the most recent, suitable arena in order to investigate the interplay of otherwise competing orders in layeredlike two-dimensional systems. We present an optical study of the CDW state in ZrTe3 -xSex at selected Se dopings, based on the measurement of the reflectivity from the far-infrared up to the ultraviolet, as a function of temperature. We particularly focus our attention to the redistribution of the spectral weight, which images the impact of the CDW state within the optical conductivity across the phase diagram of the title compounds. The electrodynamic response is consistent with a scenario based on a long-range CDW condensate at low Se doping. Upon increasing the Se content, this then gives way to local, short-range order CDW segments. Our spectral weight analysis reveals the presence of a pseudogap phase, as fingerprint of the CDW precursor effects and thus shaping the charge dynamics of the title compounds in their normal state, preceding the onset of superconductivity.

Structural, Electronic and Elastic Properties of Half-Heusler Alloys CrNiZ (Z = Al, Si, Ge and As)

NASA Astrophysics Data System (ADS)

Zitouni, A.; Benstaali, W.; Abbad, A.; Lantri, T.; Bouadjemi, B.; Aziz, Z.

2018-06-01

In the present work, a self-consistent ab-initio calculation using the full- potential linearized augmented plane wave (FP-LAPW) method within the framework of the spin-polarized density functional theory (DFT) was used to study the structural, electronic, magnetic and elastic properties of the half Heusler alloys CrNiZ (Z = Al, Si, Ge and As) in three phases ( α, β and γ phases). The generalized gradient approximation (GGA) described by Perdew-Burke-Ernzerhof (PBE) was used. The results obtained for the spin-polarized band structure and the density of states show a halfmetallic behavior for the four compounds. The elastic constants ( C ij ) show that our compounds are ductile, stiff and anisotropic.

Structural, electronic and elastic properties of heavy fermion YbRh2 Laves phase compound

NASA Astrophysics Data System (ADS)

Pawar, Harsha; Shugani, Mani; Aynyas, Mahendra; Sanyal, Sankar P.

2018-05-01

The structural, electronic and elastic properties of YbRh2 Laves phase intermetallic compound which crystallize in cubic (MgCu2-type) structure have been investigated using ab-initio full potential linearized augmented plane wave (FP- LAPW) method with LDA and LDA+U approximation. The calculated ground state properties such as lattice parameter (a0), bulk modulus (B) and its pressure derivative (B') are in good agreement with available experimental and theoretical data. The electronic properties are analyzed from band structures and density of states. Elastic constants are predicted first time for this compound which obeys the stability criteria for cubic system.

Local Real-Space View of the Achiral 1 T -TiSe2 2 ×2 ×2 Charge Density Wave

NASA Astrophysics Data System (ADS)

Hildebrand, B.; Jaouen, T.; Mottas, M.-L.; Monney, G.; Barreteau, C.; Giannini, E.; Bowler, D. R.; Aebi, P.

2018-03-01

The transition metal dichalcogenide 1 T -TiSe2 -two-dimensional layered material undergoing a commensurate 2 ×2 ×2 charge density wave (CDW) transition with a weak periodic lattice distortion (PLD) below ≈200 K . Scanning tunneling microscopy (STM) combined with intentionally introduced interstitial Ti atoms allows us to go beyond the usual spatial resolution of STM and to intimately probe the three-dimensional character of the PLD. Furthermore, the inversion-symmetric achiral nature of the CDW in the z direction is revealed, contradicting the claimed existence of helical CDW stacking and associated chiral order. This study paves the way to a simultaneous real-space probing of both charge and structural reconstructions in CDW compounds.

Impact of the charge density wave state in the electrodynamic response of ZrTe 3 - x Se x : Optical evidence for a pseudogap phase

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

Chinotti, M.; Ethiraj, J.; Mirri, C.

The emergence of superconductivity upon progressively suppressing the long-range, charge-density-wave (CDW) order characterizes the phase diagram of several materials of interest in the on-going solid-state physics research. Se-doped ZrTe 3 compounds provide the most recent, suitable arena in order to investigate the interplay of otherwise competing orders in layeredlike two-dimensional systems. We present an optical study of the CDW state in ZrTe 3-xSe x at selected Se dopings, based on the measurement of the reflectivity from the far-infrared up to the ultraviolet, as a function of temperature. We particularly focus our attention to the redistribution of the spectral weight, whichmore » images the impact of the CDW state within the optical conductivity across the phase diagram of the title compounds. The electrodynamic response is consistent with a scenario based on a long-range CDW condensate at low Se doping. Upon increasing the Se content, this then gives way to local, short-range order CDW segments. Thus, our spectral weight analysis reveals the presence of a pseudogap phase, as fingerprint of the CDW precursor effects and thus shaping the charge dynamics of the title compounds in their normal state, preceding the onset of superconductivity.« less

Impact of the charge density wave state in the electrodynamic response of ZrTe 3 - x Se x : Optical evidence for a pseudogap phase

DOE PAGES

Chinotti, M.; Ethiraj, J.; Mirri, C.; ...

2018-01-12

The emergence of superconductivity upon progressively suppressing the long-range, charge-density-wave (CDW) order characterizes the phase diagram of several materials of interest in the on-going solid-state physics research. Se-doped ZrTe 3 compounds provide the most recent, suitable arena in order to investigate the interplay of otherwise competing orders in layeredlike two-dimensional systems. We present an optical study of the CDW state in ZrTe 3-xSe x at selected Se dopings, based on the measurement of the reflectivity from the far-infrared up to the ultraviolet, as a function of temperature. We particularly focus our attention to the redistribution of the spectral weight, whichmore » images the impact of the CDW state within the optical conductivity across the phase diagram of the title compounds. The electrodynamic response is consistent with a scenario based on a long-range CDW condensate at low Se doping. Upon increasing the Se content, this then gives way to local, short-range order CDW segments. Thus, our spectral weight analysis reveals the presence of a pseudogap phase, as fingerprint of the CDW precursor effects and thus shaping the charge dynamics of the title compounds in their normal state, preceding the onset of superconductivity.« less

Ab Initio Study of Electronic Structure, Elastic and Transport Properties of Fluoroperovskite LiBeF3

NASA Astrophysics Data System (ADS)

Benmhidi, H.; Rached, H.; Rached, D.; Benkabou, M.

2017-04-01

The aim of this work is to investigate the electronic, mechanical, and transport properties of the fluoroperovskite compound LiBeF3 by first-principles calculations using the full-potential linear muffin-tin orbital method based on density functional theory within the local density approximation. The independent elastic constants and related mechanical properties including the bulk modulus ( B), shear modulus ( G), Young's modulus ( E), and Poisson's ratio ( ν) have been studied, yielding the elastic moduli, shear wave velocities, and Debye temperature. According to the electronic properties, this compound is an indirect-bandgap material, in good agreement with available theoretical data. The electron effective mass, hole effective mass, and energy bandgaps with their volume and pressure dependence are investigated for the first time.

Strong enhancement of s -wave superconductivity near a quantum critical point of Ca 3 Ir 4 Sn 13

DOE PAGES

Biswas, P. K.; Guguchia, Z.; Khasanov, R.; ...

2015-11-11

We repormore » t microscopic studies by muon spin rotation/relaxation as a function of pressure of the Ca 3 Ir 4 Sn 13 and Sr 3Ir 4Sn 13 system displaying superconductivity and a structural phase transition associated with the formation of a charge density wave (CDW). Our findings show a strong enhancement of the superfluid density and a dramatic increase of the pairing strength above a pressure of ≈ 1.6 GPa giving direct evidence of the presence of a quantum critical point separating a superconducting phase coexisting with CDW from a pure superconducting phase. The superconducting order parameter in both phases has the same s-wave symmetry. In spite of the conventional phonon-mediated BCS character of the weakly correlated (Ca 1-xSr x) 3Ir 4Sn 13 system the dependence of the effective superfluid density on the critical temperature puts this compound in the “Uemura” plot close to unconventional superconductors. This system exemplifies that conventional BCS superconductors in the presence of competing orders or multi-band structure can also display characteristics of unconventional superconductors.« less

Structural and thermoelectric properties of zintl-phase CaLiPn (Pn=As, Sb, Bi)

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

Chandran, Anoop K.; Gudelli, Vijay Kumar; Sreeparvathy, P.C.

First-principles calculations were carried out to study the structural, mechanical, dynamical and transport properties of zintl phase materials CaLiPn (Pn=As, Sb and Bi). We have used two different approaches to solve the system based on density functional theory. The plane wave pseudopotential approach has been used to study the structural and dynamical properties whereas, full potential linear augment plane wave method is used to examine the electronic structure, mechanical and thermoelectric properties. The calculated ground-state properties agree quite well with experimental values. The computed electronic structure shows the investigated compounds to be direct band gap semiconductors. Further, we have calculatedmore » the thermoelectric properties of all the investigated compounds for both the carriers at various temperatures. We found a high thermopower for both the carriers, especially n-type doping to be more favourable, which enabled us to predict that CaLiPn might have promising applications as a good thermoelectric material. Further, the phonon dispersion curves of the investigated compounds showed flat phonon modes and we also find lower optical and acoustic modes to cut each other at the lower frequency range, which further indicate the investigated compounds to possess reasonably low thermal conductivity. We have also analysed the low value of the thermal conductivity through the empirical relations and discussions are presented here. - Highlights: • Electronic band structure and chemical bonding. • Single crystalline elastic constants and poly crystalline elastic moduli. • Thermoelectric properties of zintl phase. • Lattice dynamics and phonon density of states.« less

Charge modulation in two-dimensional compounds

NASA Astrophysics Data System (ADS)

Monceau, Pierre

2015-03-01

Although the first measurements demonstrating charge modulation were performed forty years ago, many open questions are now the matter of intense research. In the first part of this short review, some recent results obtained on transition metal dichalcogenides (MX2) compounds will be presented such as: mechanism of the Peierls transition, effect of strong electron-phonon coupling, soft mode in the phonon dispersion, chirality effects,....Charge order, ferroelectricity, frustration, glassiness in organic 2D systems will be the subject of the second part. The third part will be devoted to describe the properties of a new family of 2D compounds, namely rare earth tritellurides, in which the size of the rare earth determine the charge density wave transition temperature.

Structural, Electronic and Elastic Properties of Heavy Fermion YbTM2 (TM= Ir and Pt) Laves Phase Compounds

NASA Astrophysics Data System (ADS)

Pawar, H.; Shugani, M.; Aynyas, M.; Sanyal, S. P.

2018-02-01

The structural, electronic and elastic properties of YbTM2 (TM = Ir and Pt) Laves phase intermetallic compounds which crystallize in cubic (MgCu2-type) structure, have been investigated using ab-initio full potential linearized augmented plane wave (FP-LAPW) method with LDA and LDA+U approximation. The calculated ground state properties such as lattice parameter (a0), bulk modulus (B) and its pressure derivative (B‧) are in good agreement with available experimental and theoretical data. The electronic properties are analyzed from band structures and density of states. Elastic constants are predicted first time for these compounds which obey the stability criteria for cubic system.

Ab-initio thermodynamic and elastic properties of AlNi and AlNi3 intermetallic compounds

NASA Astrophysics Data System (ADS)

Yalameha, Shahram; Vaez, Aminollah

2018-04-01

In this paper, thermodynamic and elastic properties of the AlNi and AlNi3 were investigated using density functional theory (DFT). The full-potential linearized augmented plane-wave (APW) in the framework of the generalized gradient approximation as used as implemented in the Wien2k package. The temperature dependence of thermal expansion coefficient, bulk modulus and heat capacity in a wide range of temperature (0-1600 K) were investigated. The calculated elastic properties of the compounds show that both intermetallic compounds of AlNi and AlNi3 have surprisingly negative Poisson’s ratio (NPR). The results were compared with other experimental and computational data.

The new misfit compound (BiSe){sub 1.15}(TiSe{sub 2}){sub 2} and the role of dimensionality in the Cu{sub x}(BiSe){sub 1+δ}(TiSe{sub 2}){sub n} series

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

Trump, Benjamin A., E-mail: btrump1@jhu.edu; Department of Physics and Astronomy, Institute for Quantum Matter, Johns Hopkins University, Baltimore, MD 21218; Livi, Kenneth J.T.

The synthesis and physical properties of the new misfit compound (BiSe){sub 1.15}(TiSe{sub 2}){sub 2} are reported. Transmission electron microscopy and powder X-ray diffraction show that the structure consists of alternating rock-salt type BiSe layers and hexagonal (TiSe{sub 2}){sub 2} double layers. Resistivity, specific heat, and magnetization measurements show that it has metallic and diamagnetic behaviors. These results are interpreted and discussed in the context of the transition between single-layer (BiSe){sub 1.13}(TiSe{sub 2}), which shows no charge density wave, and infinite-layered (bulk) 1T-TiSe{sub 2}, which undergoes a charge density wave transition at T=202 K. Intercalation with copper, Cu{sub x}(BiSe){sub 1.15}(TiSe{sub 2}){submore » 2}, (0≤x≤0.10) is also reported, but unlike Cu{sub x}TiSe{sub 2}, no superconductivity is observed down to T=0.05 K. Thus, the series Cu{sub x}(BiSe){sub 1+δ}(TiSe{sub 2}){sub n} provides an effective approach to elucidate the impact of dimensionality on charge density wave formation and superconductivity. - Graphical abstract: The newly discovered misfit compound (BiSe){sub 1.15}(TiSe{sub 2}){sub 2} shown in the series (BiSe){sub 1+δ}(TiSe{sub 2}){sub n}. Display Omitted - Highlights: • Reports the structure and properties of the new misfit compound (BiSe){sub 1.15}(TiSe{sub 2}){sub 2}. • The structure consists of a rock salt type BiSe layer and a double (TiSe{sub 2}){sub 2} layer. • The n=1, 2 misfits (BiSe){sub 1+δ}(TiSe{sub 2}){sub n} are found not to exhibit CDW transitions. • Evidence is presented that there is likely a low-lying CDW excited state. • The series Cu{sub x}(BiSe){sub 1+δ}(TiSe{sub 2}){sub 2} does not superconduct, unlike Cu{sub x}TiSe{sub 2}.« less

Photoelectric properties of defect chalcogenide HgGa{sub 2}X{sub 4} (x=S, Se, Te)

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

Sharma, Ramesh; Dwivedi, Shalini; Sharma, Yamini, E-mail: sharma.yamini62@gmail.com

2016-05-06

We present results of ab initio study of ordered vacancy compounds of mercury. The electronic structure, charge density, optical and transport properties of the semiconductor family HgGa{sub 2}X{sub 4} (X=S, Se, Te) are calculated using the full potential linearized augmented plane wave method which is based on the density functional theory. A direct bandgap is observed in these compounds, which reduces in the order S>Se>Te. From the density of states it is observed that there is strong hybridization of Hg-d, Ga-d and X-p states. The optical properties show a red shift with increasing size and atomic no. of the chalcogenidemore » atoms. We have also reported the transport properties of mercury thiogallates for the first time. The selenide compound exhibits n-type nature whereas HgGa{sub 2}S{sub 4} and HgGa{sub 2}Te{sub 4} show p-type behavior. The power factor and ZT for the HGS increases at low temperatures, the figure of merit is highest for HgGa{sub 2}Se{sub 4} (1.17) at 19 K.« less

Stripe Antiferromagnetic Spin Fluctuations in SrCo 2As 2

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

Jayasekara, Wageesha; Lee, Young-Jin; Pandey, Abhishek

Inelastic neutron scattering measurements of paramagnetic SrCo 2As 2 at T = 5 K reveal antiferromagnetic (AFM) spin fluctuations that are peaked at a wave vector of Q AFM = (1/2, 1/2, 1) and possess a large energy scale. These stripe spin fluctuations are similar to those found in AFe 2As 2 compounds, where spin-density wave AFM is driven by Fermi surface nesting between electron and hole pockets separated by Q AFM. SrCo 2As 2 has a more complex Fermi surface and band-structure calculations indicate a potential instability toward either a ferromagnetic or stripe AFM ground state. The results suggestmore » that stripe AFM magnetism is a general feature of both iron and cobalt-based arsenides and the search for spin fluctuation-induced unconventional superconductivity should be expanded to include cobalt-based compounds.« less

Self-consistent full-potential linearized-augmented-plane-wave local-density electronic-structure studies of magnetism and superconductivity in C15 compounds: ZrZn2 and ZrV2

NASA Astrophysics Data System (ADS)

Huang, Mei-Chun; Jansen, H. J. F.; Freeman, A. J.

1988-03-01

The electronic structure and properties of the cubic Laves phase (C15) compounds ZrZn2 and ZrV2 have been determined using our all-electron full-potential linearized-augmented-plane-wave (FLAPW) method for bulk solids. The computations were performed in two stages: (i) self-consistent warped muffin tin and (ii) self-consistent full potential. Spin-orbit coupling was included after either stage. The effects of the inclusion of the nonspherical terms inside the muffin tins on the eigenvalues is found to be small (of order 1 mRy). However, due to the fact that some of the bands near the Fermi level are flat, this effect leads to a much higher value of the density of states at EF in ZnZr2. The most important difference between the materials ZrZn2 and ZrV2 is the position of the d bands derived from the Zr and V atoms. Consequently, these materials have completely different Fermi surfaces. We have investigated the magnetic properties of these compounds by evaluating their generalized Stoner factors and found agreement with experiment. Our results for the superconducting transition temperature for these materials is found to be strongly dependent on the spin fluctuation parameter μsp. Of course, because of the magnetic transition, superconductivity cannot be observed in ZnZr2.

A traveling wave ultrasonic motor with a metal/polymer-matrix material compound stator

NASA Astrophysics Data System (ADS)

Li, Jinbang; Liu, Shuo; Zhou, Ningning; Yu, Aibing; Cui, Yuguo; Chen, Pengfei

2018-01-01

This study proposes a traveling wave ultrasonic motor with a metal/polymer-matrix material compound stator. The stator is composed of a metal ring and polymer-matrix teeth. The resonance frequency of the stator with different structural dimensions was analyzed by the finite element method. From the results, the structure parameters of the metal ring were obtained. The effects of the density and elastic modulus of the tooth material on the resonance frequency were also investigated. A viscoelastic contact model was built to explore the contact state between the compound stator and rotor. Considering the density, elastic modulus and tribological properties, the tooth material was prepared by a molding process. The load-torque and efficiency-torque characteristics of the motor with different tooth thicknesses were measured under different preloads using a preload controlled ultrasonic motor test device. The maximum no-load speed of the motor was about 85 r min-1 with a tooth thickness of 3 mm and a preload of 100 N, the maximum stall torque of the motor was about 0.5 N · m with a tooth thickness of 4 mm and a preload of 125 N, and a maximum efficiency of about 5.5% occurred with a tooth thickness of 4 mm, a preload of 100 N and a torque of 0.3 N · m. The main merits of the proposed ultrasonic motor are low cost, light weight, high processing efficiency and long life.

Dimensional crossover of the charge density wave transition in thin exfoliated VSe2

NASA Astrophysics Data System (ADS)

Pásztor, Árpád; Scarfato, Alessandro; Barreteau, Céline; Giannini, Enrico; Renner, Christoph

2017-12-01

Isolating single unit-cell thin layers from the bulk matrix of layered compounds offers tremendous opportunities to design novel functional electronic materials. However, a comprehensive thickness dependence study is paramount to harness the electronic properties of such atomic foils and their stacking into synthetic heterostructures. Here we show that a dimensional crossover and quantum confinement with reducing thickness result in a striking non-monotonic evolution of the charge density wave transition temperature in VSe2. Our conclusion is drawn from a direct derivation of the local order parameter and transition temperature from the real space charge modulation amplitude imaged by scanning tunnelling microscopy. This study lifts the disagreement of previous independent transport measurements. We find that thickness can be a non-trivial tuning parameter and demonstrate the importance of considering a finite thickness range to accurately characterize its influence.

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

Li, Lijun; Deng, Xiaoyu; Wang, Zhen

Here, we report on the emergence of robust superconducting order in single crystal alloys of TaSe 2$ -$x S x (0 ≤ × ≤2). The critical temperature of the alloy is surprisingly higher than that of the two end compounds TaSe2 and TaS2. The evolution of superconducting critical temperature T c(x) correlates with the full width at half maximum of the Bragg peaks and with the linear term of the high-temperature resistivity. The conductivity of the crystals near the middle of the alloy series is higher or similar than that of either one of the end members 2H-TaSe 2 and/ormore » 2H-TaS 2. It is known that in these materials superconductivity is in close competition with charge density wave order. We interpret our experimental findings in a picture where disorder tilts this balance in favor of superconductivity by destroying the charge density wave order.« less

Electron-positron momentum density in Tl 2Ba 2CuO 6

NASA Astrophysics Data System (ADS)

Barbiellini, B.; Gauthier, M.; Hoffmann, L.; Jarlborg, T.; Manuel, A. A.; Massidda, S.; Peter, M.; Triscone, G.

1994-08-01

We present calculations of the electron-positron momentum density for the high- Tc superconductor Tl 2Ba 2CuO 6, together with some preliminary two-dimensional angular correlation of the annihilation radiation (2D-ACAR) measurements. The calculations are based on the first-principles electronic structure obtained using the full-potential linearized augmented plane wave (FLAPW) and the linear muffin-tin orbital (LMTO) methods. We also use a linear combination of the atomic orbitals-molecular orbital method (LCAO-MO) to discuss orbital contributions to the anisotropies. Some agreement between calculated and measured 2D-ACAR anisotropies encourage sample improvement for further Fermi surface investigations. Indeed, our results indicate a non-negligle overlap of the positron wave function with the CuOo 2 plane electrons. Therefore, this compound may be well suited for investigating the relevant CuO 2 Fermi surface by 2D-ACAR.

Superconducting order from disorder in 2H-TaSe2-xSx

NASA Astrophysics Data System (ADS)

Li, Lijun; Deng, Xiaoyu; Wang, Zhen; Liu, Yu; Abeykoon, Milinda; Dooryhee, Eric; Tomic, Aleksandra; Huang, Yanan; Warren, John B.; Bozin, Emil S.; Billinge, Simon J. L.; Sun, Yuping; Zhu, Yimei; Kotliar, Gabriel; Petrovic, Cedomir

2017-12-01

We report on the emergence of robust superconducting order in single crystal alloys of TaSe2-xSx (0 ≤ × ≤ 2). The critical temperature of the alloy is surprisingly higher than that of the two end compounds TaSe2 and TaS2. The evolution of superconducting critical temperature Tc(x) correlates with the full width at half maximum of the Bragg peaks and with the linear term of the high-temperature resistivity. The conductivity of the crystals near the middle of the alloy series is higher or similar than that of either one of the end members 2H-TaSe2 and/or 2H-TaS2. It is known that in these materials superconductivity is in close competition with charge density wave order. We interpret our experimental findings in a picture where disorder tilts this balance in favor of superconductivity by destroying the charge density wave order.

Diurnal variation of stratospheric chlorine monoxide - A critical test of chlorine chemistry in the ozone layer

NASA Technical Reports Server (NTRS)

Solomon, P. M.; De Zafra, R.; Parrish, A.; Barrett, J. W.

1984-01-01

Ground-based observations of a mm-wave spectral line at 278 GHz have yielded stratospheric chlorine monoxide column density diurnal variation records which indicate that the mixing ratio and column density of this compound above 30 km are about 20 percent lower than model predictions based on 2.1 parts/billion of total stratospheric chlorine. The observed day-to-night variation is, however, in good agreement with recent model predictions, both confirming the existence of a nighttime reservoir for chlorine and verifying the predicted general rate of its storage and retrieval.

Theoretical investigations on structural, elastic and electronic properties of thallium halides

NASA Astrophysics Data System (ADS)

Singh, Rishi Pal; Singh, Rajendra Kumar; Rajagopalan, Mathrubutham

2011-04-01

Theoretical investigations on structural, elastic and electronic properties, viz. ground state lattice parameter, elastic moduli and density of states, of thallium halides (viz. TlCl and TlBr) have been made using the full potential linearized augmented plane wave method within the generalized gradient approximation (GGA). The ground state lattice parameter and bulk modulus and its pressure derivative have been obtained using optimization method. Young's modulus, shear modulus, Poisson ratio, sound velocities for longitudinal and shear waves, Debye average velocity, Debye temperature and Grüneisen parameter have also been calculated for these compounds. Calculated structural, elastic and other parameters are in good agreement with the available data.

Structural, elastic, electronic, optical and thermoelectric properties of the Zintl-phase Ae3AlAs3 (Ae = Sr, Ba)

NASA Astrophysics Data System (ADS)

Benahmed, A.; Bouhemadou, A.; Alqarni, B.; Guechi, N.; Al-Douri, Y.; Khenata, R.; Bin-Omran, S.

2018-05-01

First-principles calculations were performed to investigate the structural, elastic, electronic, optical and thermoelectric properties of the Zintl-phase Ae3AlAs3 (Ae = Sr, Ba) using two complementary approaches based on density functional theory. The pseudopotential plane-wave method was used to explore the structural and elastic properties whereas the full-potential linearised augmented plane wave approach was used to study the structural, electronic, optical and thermoelectric properties. The calculated structural parameters are in good consistency with the corresponding measured ones. The single-crystal and polycrystalline elastic constants and related properties were examined in details. The electronic properties, including energy band dispersions, density of states and charge-carrier effective masses, were computed using Tran-Blaha modified Becke-Johnson functional for the exchange-correlation potential. It is found that both studied compounds are direct band gap semiconductors. Frequency-dependence of the linear optical functions were predicted for a wide photon energy range up to 15 eV. Charge carrier concentration and temperature dependences of the basic parameters of the thermoelectric properties were explored using the semi-classical Boltzmann transport model. Our calculations unveil that the studied compounds are characterised by a high thermopower for both carriers, especially the p-type conduction is more favourable.

Electronic and optical properties of Praseodymium trifluoride

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

Saini, Sapan Mohan, E-mail: smsaini.phy@nitrr.ac.in

2014-10-24

We report the role of f- states on electronic and optical properties of Praseodymium trifluoride (PrF{sub 3}) compound. Full potential linearized augmented plane wave (FPLAPW) method with the inclusion of spin orbit coupling has been used. We employed the local spin density approximation (LSDA) and Coulomb-corrected local spin density approximation (LSDA+U). LSDA+U is known for treating the highly correlated 4f electrons properly. Our theoretical investigation shows that LSDA+U approximation reproduce the correct insulating ground state of PrF{sub 3}. On the other hand there is no significant difference of reflectivity calculated by LSDA and LSDA+U. We find that the reflectivity formore » PrF{sub 3} compound stays low till around 7 eV which is consistent with their large energy gaps. Our calculated reflectivity compares well with the experimental data. The results are analyzed in the light of transitions involved.« less

Plane wave density functional molecular dynamics study of exothermic reactions of Al/CuO thermites

NASA Astrophysics Data System (ADS)

Oloriegbe, Suleiman; Sewell, Thomas; Chen, Zhen; Jiang, Shan; Gan, Yong

2014-03-01

Exothermic reactions between nanosize aluminum (Al) and copper oxide (CuO) structures are of current interest because of their high reaction enthalpy and energy density which exceed those of traditional monomolecular energetic compounds such as TNT, RDX, and HMX. In this work, molecular dynamics simulations with forces obtained from plane wave density functional theory are used to investigate the atomic-scale and electronic processes that occur during the fast thermite reactions between Al and CuO nanostructures under adiabatic conditions. Aluminum surfaces in contact with O-exposed and Cu-exposed CuO surfaces are studied. Starting from initial temperature T = 800 K, we have observed: faster chemical reaction at the oxygen-rich interface during the initial 0.5 ps, linear temperature rise, and fast oxygen diffusion into the Al region with the rate 1.87 X 10-3 cm2/s. The density-derived electrostatic and chemical method is used to evaluate the net atomic charges and charge transfer during the important redox processes. High charge density around the oxygen-exposed interface may be responsible for the faster initial reactions at that interface. The overall reaction rate, determined using the time evolution of Cu-O charge orbital overlap population, is approximately first order.

Charge Density Wave and Narrow Energy Gap at Room Temperature in 2D Pb 3–xSb 1+xS 4Te 2-δ with Square Te Sheets

DOE PAGES

Chen, Haijie; Malliakas, Christos D.; Narayan, Awadhesh; ...

2017-07-17

We report a new two-dimensional compound Pb 3–xSb 1+xS 4Te 2-δ has a charge density wave (CDW) at room temperature. The CDW is incommensurate with q-vector of 0.248(6)a* + 0.246(8)b* + 0.387(9)c* for x = 0.29(2) and d = 0.37(3) due to positional and occupational long range ordering of Te atoms in the sheets. The modulated structure was refined from the single crystal X-ray diffraction data with a superspace group Pmore » $$\\bar{1}$$(αβγ)0 using (3 + 1)-dimensional crystallography. The resistivity increases with decreasing temperature, suggesting semiconducting behavior. The transition temperature (T CDW) of the CDW is ~ 345 K above which the Te square sheets become disordered with no q-vector. Lastly, first-principles density functional theory calculations on the undistorted structure and an approximate commensurate supercell reveal that the gap is due to the structure modulation.« less

Charge Density Wave and Narrow Energy Gap at Room Temperature in 2D Pb 3–xSb 1+xS 4Te 2-δ with Square Te Sheets

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

Chen, Haijie; Malliakas, Christos D.; Narayan, Awadhesh

We report a new two-dimensional compound Pb 3–xSb 1+xS 4Te 2-δ has a charge density wave (CDW) at room temperature. The CDW is incommensurate with q-vector of 0.248(6)a* + 0.246(8)b* + 0.387(9)c* for x = 0.29(2) and d = 0.37(3) due to positional and occupational long range ordering of Te atoms in the sheets. The modulated structure was refined from the single crystal X-ray diffraction data with a superspace group Pmore » $$\\bar{1}$$(αβγ)0 using (3 + 1)-dimensional crystallography. The resistivity increases with decreasing temperature, suggesting semiconducting behavior. The transition temperature (T CDW) of the CDW is ~ 345 K above which the Te square sheets become disordered with no q-vector. Lastly, first-principles density functional theory calculations on the undistorted structure and an approximate commensurate supercell reveal that the gap is due to the structure modulation.« less

Charge Density Wave and Narrow Energy Gap at Room Temperature in 2D Pb3-xSb1+xS4Te2-δ with Square Te Sheets.

PubMed

Chen, Haijie; Malliakas, Christos D; Narayan, Awadhesh; Fang, Lei; Chung, Duck Young; Wagner, Lucas K; Kwok, Wai-Kwong; Kanatzidis, Mercouri G

2017-08-16

We report a new two-dimensional compound, Pb 3-x Sb 1+x S 4 Te 2-δ , that has a charge density wave (CDW) at room temperature. The CDW is incommensurate with q-vector of 0.248(6)a* + 0.246(8)b* + 0.387(9)c* for x = 0.29(2) and δ = 0.37(3) due to positional and occupational long-range ordering of Te atoms in the sheets. The modulated structure was refined from the single-crystal X-ray diffraction data with a superspace group P1̅(αβγ)0 using (3 + 1)-dimensional crystallography. The resistivity increases with decreasing temperature, suggesting semiconducting behavior. The transition temperature (T CDW ) of the CDW is ∼345 K, above which the Te square sheets become disordered with no q-vector. First-principles density functional theory calculations on the undistorted structure and an approximate commensurate supercell reveal that the gap is due to the structure modulation.

Fast Shear Compounding Using Robust Two-dimensional Shear Wave Speed Calculation and Multi-directional Filtering

PubMed Central

Song, Pengfei; Manduca, Armando; Zhao, Heng; Urban, Matthew W.; Greenleaf, James F.; Chen, Shigao

2014-01-01

A fast shear compounding method was developed in this study using only one shear wave push-detect cycle, such that the shear wave imaging frame rate is preserved and motion artifacts are minimized. The proposed method is composed of the following steps: 1. applying a comb-push to produce multiple differently angled shear waves at different spatial locations simultaneously; 2. decomposing the complex shear wave field into individual shear wave fields with differently oriented shear waves using a multi-directional filter; 3. using a robust two-dimensional (2D) shear wave speed calculation to reconstruct 2D shear elasticity maps from each filter direction; 4. compounding these 2D maps from different directions into a final map. An inclusion phantom study showed that the fast shear compounding method could achieve comparable performance to conventional shear compounding without sacrificing the imaging frame rate. A multi-inclusion phantom experiment showed that the fast shear compounding method could provide a full field-of-view (FOV), 2D, and compounded shear elasticity map with three types of inclusions clearly resolved and stiffness measurements showing excellent agreement to the nominal values. PMID:24613636

Self-consistent full-potential linearized-augmented-plane-wave local-density electronic-structure studies of magnetism and superconductivity in C15 compounds: ZrZn/sub 2/ and ZrV/sub 2/

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

Huang, M.; Jansen, H.J.F.; Freeman, A.J.

The electronic structure and properties of the cubic Laves phase (C15) compounds ZrZn/sub 2/ and ZrV/sub 2/ have been determined using our all-electron full-potential linearized-augmented-plane-wave (FLAPW) method for bulk solids. The computations were performed in two stages: (i) self-consistent warped muffin tin and (ii) self-consistent full potential. Spin-orbit coupling was included after either stage. The effects of the inclusion of the nonspherical terms inside the muffin tins on the eigenvalues is found to be small (of order 1 mRy). However, due to the fact that some of the bands near the Fermi level are flat, this effect leads to amore » much higher value of the density of states at E/sub F/ in ZnZr/sub 2/. The most important difference between the materials ZrZn/sub 2/ and ZrV/sub 2/ is the position of the d bands derived from the Zr and V atoms. Consequently, these materials have completely different Fermi surfaces. We have investigated the magnetic properties of these compounds by evaluating their generalized Stoner factors and found agreement with experiment. Our results for the superconducting transition temperature for these materials is found to be strongly dependent on the spin fluctuation parameter ..mu../sub sp/. Of course, because of the magnetic transition, superconductivity cannot be observed in ZnZr/sub 2/.« less

Thermodynamical study of boron doped CeX{sub 3} (X=Pd, Rh)

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

Sharma, Ramesh; Dwivedi, Shalini; Sharma, Yamini, E-mail: sharma.yamini62@gmail.com

2016-05-06

The structural, electronic, thermal, and optical properties of cubic non magnetic CeX{sub 3}(X=Pd, Rh) compounds which crystallize in the Au{sub 3}Cu structure have been studied using the projected augmented wave (PAW) method within the density functional theory (DFT) with generalized gradient approximation (GGA) for exchange correlation potential. In this paper we have calculated the band structure which are interpreted using the density of states. The optical properties such as extinction coefficients clearly illustrate the changes in CeX{sub 3} due to intercalation of boron. Lattice instability is observed in CePd{sub 3}B from the calculated dynamical properties.

Excitation of multiple surface-plasmon-polariton waves using a compound surface-relief grating

NASA Astrophysics Data System (ADS)

Faryad, Muhammad; Lakhtakia, Akhlesh

2012-01-01

The excitation of multiple surface-plasmon-polariton waves, all of the same frequency but different polarization states, phase speeds, spatial profiles and degrees of localization, by a compound surface-relief grating formed by a metal and a rugate filter, both of finite thickness, was studied using the rigorous coupled-wave approach. Each period of the compound surface-relief grating was chosen to have an integral number of periods of two different simple surface-relief gratings. The excitation of different SPP waves was inferred from the absorptance peaks that were independent of the thickness of the rugate filter. The excitation of each SPP wave could be attributed to either a simple surface-relief grating present in the compound surface-relief grating or to the compound surface-relief grating itself. However, the excitation of SPP waves was found to be less efficient with the compound surface-relief grating than with a simple surface-relief grating.

Observation of Landau quantization and standing waves in HfSiS

NASA Astrophysics Data System (ADS)

Jiao, L.; Xu, Q. N.; Qi, Y. P.; Wu, S.-C.; Sun, Y.; Felser, C.; Wirth, S.

2018-05-01

Recently, HfSiS was found to be a new type of Dirac semimetal with a line of Dirac nodes in the band structure. Meanwhile, Rashba-split surface states are also pronounced in this compound. Here we report a systematic study of HfSiS by scanning tunneling microscopy/spectroscopy at low temperature and high magnetic field. The Rashba-split surface states are characterized by measuring Landau quantization and standing waves, which reveal a quasilinear dispersive band structure. First-principles calculations based on density-functional theory are conducted and compared with the experimental results. Based on these investigations, the properties of the Rashba-split surface states and their interplay with defects and collective modes are discussed.

One Way to Design a Valence-Skip Compound.

PubMed

Hase, I; Yanagisawa, T; Kawashima, K

2017-12-01

Valence-skip compound is a good candidate with high T c and low anisotropy because it has a large attractive interaction at the site of valence-skip atom. However, it is not easy to synthesize such compound because of (i) the instability of the skipping valence state, (ii) the competing charge order, and (iii) that formal valence may not be true in some compounds. In the present study, we show several examples of the valence-skip compounds and discuss how we can design them by first principles calculations. Furthermore, we calculated the electronic structure of a promising candidate of valence skipping compound RbTlCl 3 from first principles. We confirmed that the charge-density wave (CDW) is formed in this compound, and the Tl atoms in two crystallographic different sites take the valence Tl 1+ and Tl 3+ . Structure optimization study reveals that this CDW is stable at the ambient pressure, while this CDW gap can be collapsed when we apply pressure with several gigapascals. In this metallic phase, we can expect a large charge fluctuation and a large electron-phonon interaction.

On the Preferred Active Sites of Promoted MoS 2 for Hydrodesulfurization with Minimal Organonitrogen Inhibition

DOE PAGES

Rangarajan, Srinivas; Mavrikakis, Manos

2016-12-14

Hydrodesulfurization is a process to produce ultralow-sulfur diesel fuel. Although promoted molybdenum sulfide (MoS 2) catalysts have been used industrially for several decades, the active site requirements for selective hydrodesulfurization of organosulfur compounds with minimal inhibition by organonitrogen constituents of a real gasoil feed has not been resolved. By using molecular binding energy descriptors derived from plane wave density functional theory calculations for comparative adsorption of organosulfur and organonitrogen compounds, we analyzed more than 20 potential sites on unpromoted and Ni- and Co-promoted MoS 2. We also found that hydrogen sulfide and ammonia are simple descriptors of adsorption of stericallymore » unhindered organosulfur and organonitrogen compounds such as dibenzothiophene and acridine, respectively. Further, organonitrogen compounds in gasoil bind more strongly than organosulfur compounds on all sites except on sites with exposed metal atoms on the corner and sulfur edges of promoted MoS 2. Consequently, these sites are proposed as required for maximum-hydrodesulfurization minimum-inhibition catalysis.« less

Fast shear compounding using robust 2-D shear wave speed calculation and multi-directional filtering.

PubMed

Song, Pengfei; Manduca, Armando; Zhao, Heng; Urban, Matthew W; Greenleaf, James F; Chen, Shigao

2014-06-01

A fast shear compounding method was developed in this study using only one shear wave push-detect cycle, such that the shear wave imaging frame rate is preserved and motion artifacts are minimized. The proposed method is composed of the following steps: 1. Applying a comb-push to produce multiple differently angled shear waves at different spatial locations simultaneously; 2. Decomposing the complex shear wave field into individual shear wave fields with differently oriented shear waves using a multi-directional filter; 3. Using a robust 2-D shear wave speed calculation to reconstruct 2-D shear elasticity maps from each filter direction; and 4. Compounding these 2-D maps from different directions into a final map. An inclusion phantom study showed that the fast shear compounding method could achieve comparable performance to conventional shear compounding without sacrificing the imaging frame rate. A multi-inclusion phantom experiment showed that the fast shear compounding method could provide a full field-of-view, 2-D and compounded shear elasticity map with three types of inclusions clearly resolved and stiffness measurements showing excellent agreement to the nominal values. Copyright © 2014 World Federation for Ultrasound in Medicine & Biology. Published by Elsevier Inc. All rights reserved.

Mechanical and magneto-opto-electronic investigation of transition metal based fluoro-perovskites: An ab-initio DFT study

NASA Astrophysics Data System (ADS)

Erum, Nazia; Azhar Iqbal, Muhammad

2017-09-01

Detailed ab-initio calculations are performed to investigate structural, elastic, mechanical, magneto-electronic and optical properties of the KXF3 (X = V, Fe, Co, Ni) fluoro-perovskites using Full Potential Linearized Augmented Plane Wave (FP-LAPW) method within the framework of density functional theory (DFT). The calculated structural parameters by DFT and analytical methods are found consistent with the experimental results. From the elastic and mechanical properties, it can be inferred that these compounds are elastically stable and anisotropic while KCoF3 is harder than rest of the compounds. Furthermore, thermal behavior of these compounds is analyzed by calculating Debye temperature (θD). The calculated spin dependent magneto-electronic properties in these compounds reveal that exchange splitting is dominated by N-3d orbital. The stable magnetic phase optimizations verify the experimental observations at low temperature. Type of chemical bonding is analyzed with the help of variations in electron density difference distribution that is induced due to changes of the second cation. The linear optical properties are also discussed in terms of optical spectra. The present methodology represents an influential approach to calculate the whole set of mechanical and magneto-opto-electronic parameters, which would support to understand various physical phenomena and empower device engineers for implementing these materials in spintronic applications.

Nonlocal theory of electromagnetic wave decay into two electromagnetic waves in a rippled density plasma channel

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

Sati, Priti; Tripathi, V. K.

Parametric decay of a large amplitude electromagnetic wave into two electromagnetic modes in a rippled density plasma channel is investigated. The channel is taken to possess step density profile besides a density ripple of axial wave vector. The density ripple accounts for the momentum mismatch between the interacting waves and facilitates nonlinear coupling. For a given pump wave frequency, the requisite ripple wave number varies only a little w.r.t. the frequency of the low frequency decay wave. The radial localization of electromagnetic wave reduces the growth rate of the parametric instability. The growth rate decreases with the frequency of lowmore » frequency electromagnetic wave.« less

Magnetism and charge density wave in GdNiC2 and NdNiC2

NASA Astrophysics Data System (ADS)

Klimczuk, Tom; Kolincio, Kamil; Wianiarski, Michal; Strychalska-Nowak, Judyta; Górnicka, Karolina

The RNiC2 compounds form in an orthorhombic Amm2 crystal structure with Ni and the rare-earth (R) metal chains along the crystallographic a-axis. This system is of particular interest because both a CDW and a long range magnetic ordering phases have been observed together. We report the specific heat, magnetic, magnetotransport and galvanomagnetic properties of GdNiC2 and NdNiC2 antiferromagnets. Complex B-T phase diagrams were built based on the specific heat data. Large negative magnetoresistance due to Zeeman splitting of the electronic bands and partial destruction of a charge density wave ground state is observed above TN. The magnetoresistance and Hall measurements show that at low temperatures a magnetic field induced transformation from antiferromagnetic order to a metamagnetic phase results in the partial suppression of the CDW. This project is financially supported by National Science Centre (Poland), Grant Number: UMO-2015/19/B/ST3/03127.

Superconducting order from disorder in 2H-TaSe 2-xS x

DOE PAGES

Li, Lijun; Deng, Xiaoyu; Wang, Zhen; ...

2017-02-24

Here, we report on the emergence of robust superconducting order in single crystal alloys of TaSe 2$ -$x S x (0 ≤ × ≤2). The critical temperature of the alloy is surprisingly higher than that of the two end compounds TaSe2 and TaS2. The evolution of superconducting critical temperature T c(x) correlates with the full width at half maximum of the Bragg peaks and with the linear term of the high-temperature resistivity. The conductivity of the crystals near the middle of the alloy series is higher or similar than that of either one of the end members 2H-TaSe 2 and/ormore » 2H-TaS 2. It is known that in these materials superconductivity is in close competition with charge density wave order. We interpret our experimental findings in a picture where disorder tilts this balance in favor of superconductivity by destroying the charge density wave order.« less

Pressure dependence of the charge-density-wave and superconducting states in GdTe 3 ,   TbTe 3 , and DyTe 3

DOE PAGES

Zocco, D. A.; Hamlin, J. J.; Grube, K.; ...

2015-05-14

Here, we present electrical resistivity and ac-susceptibility measurements of GdTe 3, TbTe 3 and DyTe 3 performed under pressure. An upper charge-density-wave (CDW) is suppressed at a rate of dT CW,1/dP~ –85K/GPa. For TbTe 3 and DyTe 3, a second CDW below T CDW,2 increases with pressure until it reaches the T CDW,1(P) line. For GdTe 3, the lower CDW emerges as pressure is increased above ~1GPa. As these two CDW states are suppressed with pressure, superconductivity (SC) appears in the three compounds at lower temperatures. Ac-susceptibility experiments performed on TbTe 3 provide compelling evidence for bulk SC in themore » low-pressure region of the phase diagram. We provide measurements of superconducting critical fields and discuss the origin of a high-pressure superconducting phase occurring above 5 GPa.« less

Tunneling interstitial impurity in iron-chalcogenide-based superconductors

NASA Astrophysics Data System (ADS)

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

2016-02-01

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

Compound surface-plasmon-polariton waves guided by a thin metal layer sandwiched between a homogeneous isotropic dielectric material and a structurally chiral material

NASA Astrophysics Data System (ADS)

Chiadini, Francesco; Fiumara, Vincenzo; Scaglione, Antonio; Lakhtakia, Akhlesh

2016-03-01

Multiple compound surface plasmon-polariton (SPP) waves can be guided by a structure consisting of a sufficiently thick layer of metal sandwiched between a homogeneous isotropic dielectric (HID) material and a dielectric structurally chiral material (SCM). The compound SPP waves are strongly bound to both metal/dielectric interfaces when the thickness of the metal layer is comparable to the skin depth but just to one of the two interfaces when the thickness is much larger. The compound SPP waves differ in phase speed, attenuation rate, and field profile, even though all are excitable at the same frequency. Some compound SPP waves are not greatly affected by the choice of the direction of propagation in the transverse plane but others are, depending on metal thickness. For fixed metal thickness, the number of compound SPP waves depends on the relative permittivity of the HID material, which can be useful for sensing applications.

Structural and thermoelectric properties of zintl-phase CaLiPn (Pn=As, Sb, Bi)

NASA Astrophysics Data System (ADS)

Chandran, Anoop K.; Gudelli, Vijay Kumar; Sreeparvathy, P. C.; Kanchana, V.

2016-11-01

First-principles calculations were carried out to study the structural, mechanical, dynamical and transport properties of zintl phase materials CaLiPn (Pn=As, Sb and Bi). We have used two different approaches to solve the system based on density functional theory. The plane wave pseudopotential approach has been used to study the structural and dynamical properties whereas, full potential linear augment plane wave method is used to examine the electronic structure, mechanical and thermoelectric properties. The calculated ground-state properties agree quite well with experimental values. The computed electronic structure shows the investigated compounds to be direct band gap semiconductors. Further, we have calculated the thermoelectric properties of all the investigated compounds for both the carriers at various temperatures. We found a high thermopower for both the carriers, especially n-type doping to be more favourable, which enabled us to predict that CaLiPn might have promising applications as a good thermoelectric material. Further, the phonon dispersion curves of the investigated compounds showed flat phonon modes and we also find lower optical and acoustic modes to cut each other at the lower frequency range, which further indicate the investigated compounds to possess reasonably low thermal conductivity. We have also analysed the low value of the thermal conductivity through the empirical relations and discussions are presented here.

Temporal Compounding of Heat Waves in the Present and Projected Future

NASA Astrophysics Data System (ADS)

Baldwin, J. W.; Dessy, J.; Vecchi, G. A.; Oppenheimer, M.

2017-12-01

The hazard of heat waves is projected to increase significantly with global warming, motivating much recent research characterizing various aspects of these extreme events. One less examined aspect of heat waves is their temporal structure. Here we first modify existing heat wave duration definitions to flexibly account for a variety of possible heat wave temporal structures (sequences of hot and cooler days). We then examine past heat waves associated with high mortality using observational reanalysis data, and note that many past heat waves might be better described as series of hot days compounded together with short breaks of cooler days in between. We employ Geophysical Fluid Dynamics Laboratory (GFDL) global climate model (GCM) simulations to compare the frequency of these compound heat waves in the present and projected future with higher levels of atmospheric carbon dioxide. Our results indicate that temporally compound heatwaves will constitute a greater proportion of heat wave risk with global warming. Via examining synthetic autoregressive model data, we propose that this phenomenon is expected when shifting the mean of a time series with some memory and noise. Notably, an increased proportion of compound events implies that vulnerability from prior hot days will play an increasingly large role in heat wave risk, with possible implications for both heat wave-related policy and preparedness.

Nonlinear density waves in planetary rings

NASA Technical Reports Server (NTRS)

Borderies, Nicole; Goldreich, Peter; Tremaine, Scott

1986-01-01

The steady-state structure of planetary rings in the presence of density waves at the Lindblad resonances of a satellite is indicated. The study is based on the dispersion relation and damping rate for nonlinear density waves, derived by Shu et al. (1985) and by Borderies, Goldreich, and Tremaine (1985). It is shown that strong density waves lead to an enhancement of the background surface density in the wave zone.

Structural and elastic properties of AIBIIIC 2 VI semiconductors

NASA Astrophysics Data System (ADS)

Kumar, V.; Singh, Bhanu P.

2018-01-01

The plane wave pseudo-potential method within density functional theory has been used to calculate the structural and elastic properties of AIBIIIC 2 VI semiconductors. The electronic band structure, density of states, lattice constants (a and c), internal parameter (u), tetragonal distortion (η), energy gap (Eg), and bond lengths of the A-C (dAC) and B-C (dBC) bonds in AIBIIIC 2 VI semiconductors have been calculated. The values of elastic constants (Cij), bulk modulus (B), shear modulus (G), Young's modulus (Y), Poisson's ratio (υ), Zener anisotropy factor (A), Debye temperature (ϴD) and G/B ratio have also been calculated. The values of all 15 parameters of CuTlS2 and CuTlSe2 compounds, and 8 parameters of 20 compounds of AIBIIIC 2 VI family, except AgInS2 and AgInSe2, have been calculated for the first time. Reasonably good agreement has been obtained between the calculated, reported and available experimental values.

Vibrational spectra, NLO analysis, and HOMO-LUMO studies of 2-chloro-6-fluorobenzoic acid and 3,4-dichlorobenzoic acid by density functional method

NASA Astrophysics Data System (ADS)

Senthil kumar, J.; Arivazhagan, M.; Thangaraju, P.

2015-08-01

The FTIR and FT-Raman spectra of 2-chloro-6-fluorobenzoic acid and 3,4-dichlorobenzoic acid have been recorded in the region 4000-400 cm-1 and 3500-50 cm-1, respectively. Utilizing the observed FTIR and FT-Raman data, a complete vibrational assignment and analysis of fundamental modes of the compounds were carried out. The optimized molecular geometries, vibrational frequencies, thermodynamic properties and atomic charge of the compounds were calculated by using density functional theory (B3LYP) method with 6-311+G and 6-311++G basis sets. The difference between the observed and scaled wave number values of most of fundamentals is very small. Unambiguous vibration assignment of all the fundamentals is made up the total energy distribution (TED). The calculated HOMO and LUMO energies show that charge transfer occurs within the molecules. Besides, molecular electro static potential (MESP), Mulliken's charge analysis, first order hyper polarizability and several thermodynamic properties were performed by the DFT method.

Lattice dynamics and thermal transport in multiferroic CuCrO2

NASA Astrophysics Data System (ADS)

Bansal, Dipanshu; Niedziela, Jennifer L.; May, Andrew F.; Said, Ayman; Ehlers, Georg; Abernathy, Douglas L.; Huq, Ashfia; Kirkham, Melanie; Zhou, Haidong; Delaire, Olivier

2017-02-01

Inelastic neutron and x-ray scattering measurements of phonons and spin waves were performed in the delafossite compound CuCrO2 over a wide range of temperature, and complemented with first-principles lattice dynamics simulations. The phonon dispersions and density of states are well reproduced by our density functional calculations, and reveal a strong anisotropy of Cu vibrations, which exhibit low-frequency modes of large amplitude parallel to the basal plane of the layered delafossite structure. The low frequency in-plane modes also show a systematic temperature dependence of neutron and x-ray scattering intensities. In addition, we find that spin fluctuations persist above 300 K, far above the Néel temperature for long-range antiferromagnetic order, TN≃24 K . Our modeling of the thermal conductivity, based on our phonon measurements and simulations, reveals a significant anisotropy and indicates that spin fluctuations above TN constitute an important source of phonon scattering, considerably suppressing the thermal conductivity compared to that of the isostructural but nonmagnetic compound CuAlO2.

GAP/CL-20-Based Compound Explosive: A New Booster Formulation Used in a Small-Sized Initiation Network

NASA Astrophysics Data System (ADS)

Yanju, Wei; Jingyu, Wang; Chongwei, An; Hequn, Li; Xiaomu, Wen; Binshuo, Yu

2017-01-01

With ε-2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) and glycidyl azide polymer (GAP) as the solid filler and binder, respectively, GAP/CL-20-based compound explosives were designed and prepared. Using micro injection charge technology, the compound explosives were packed into small grooves to explore their application in a small-sized initiation network. The detonation reliability, detonation velocity, mechanical sensitivity, shock sensitivity, and brisance of the explosive were measured and analyzed. The results show that when the solid content of CL-20 is 82 wt%, the explosive charged in the groove has a smooth surface from a macroscopic view. From a microscopic view, a coarse surface is bonded with many CL-20 particles by GAP binder. The GAP/CL-20-based explosive charge successfully generates detonation waves in a groove larger than 0.6 mm × 0.6 mm. When the charge density in the groove is 1.68 g.cm-3 (90% theoretical maximum density), the detonation velocity reaches 7,290 m.s-1. Moreover, this kind of explosive is characterized by low impact and shock sensitivity.

DFT investigation on electronic, magnetic, mechanical and thermodynamic properties under pressure of some EuMO3 (M  =  Ga, In) perovskites

NASA Astrophysics Data System (ADS)

Dar, Sajad Ahmad; Srivastava, Vipul; Sakalle, Umesh Kumar; Parey, Vanshree; Pagare, Gitanjali

2017-10-01

The structural, electronic, magnetic and elastic properties of cubic EuMO3 (M  =  Ga, In) perovskites has been successfully predicted within well accepted density functional theory using full potential linearized augmented plane wave (FP-LAPW). The structural study reveals ferromagnetic stability for both the compounds. The Hubbard correlation (GGA+U) calculated spin polarized electronic band and density of states presents half-metallic nature for both the compounds. The magnetic moments calculated with different approximations were found to be approximately 6 µ B for EuGaO3 and approximately 7 µ B for EuInO3. The three independent elastic constants (C 11, C 12, C 44) have been used for the prediction of mechanical properties like Young modulus (Y), Shear modulus (G), Poisson ratio (ν), Anisotropic factor (A) under pressure. The B/G ratio presents the ductile nature for both compounds. The thermodynamic parameters like specific heat capacity, thermal expansion, Grüneisen parameter and Debye temperature etc have also been analyzed in the temperature range 0-900 K and pressure range from 0 to 30 GPa.

Tunable (δπ, δπ)-Type Antiferromagnetic Order in α-Fe(Te,Se) Superconductors

NASA Astrophysics Data System (ADS)

Bao, Wei; Qiu, Y.; Huang, Q.; Green, M. A.; Zajdel, P.; Fitzsimmons, M. R.; Zhernenkov, M.; Chang, S.; Fang, Minghu; Qian, B.; Vehstedt, E. K.; Yang, Jinhu; Pham, H. M.; Spinu, L.; Mao, Z. Q.

2009-06-01

The new α-Fe(Te,Se) superconductors share the common iron building block and ferminology with the LaFeAsO and BaFe2As2 families of superconductors. In contrast with the predicted commensurate spin-density-wave order at the nesting wave vector (π, 0), a completely different magnetic order with a composition tunable propagation vector (δπ, δπ) was determined for the parent compound Fe1+yTe in this powder and single-crystal neutron diffraction study. The new antiferromagnetic order survives as a short-range one even in the highest TC sample. An alternative to the prevailing nesting Fermi surface mechanism is required to understand the latest family of ferrous superconductors.

Theoretical simulations of the structural stabilities, elastic, thermodynamic and electronic properties of Pt3Sc and Pt3Y compounds

NASA Astrophysics Data System (ADS)

Boulechfar, R.; Khenioui, Y.; Drablia, S.; Meradji, H.; Abu-Jafar, M.; Omran, S. Bin; Khenata, R.; Ghemid, S.

2018-05-01

Ab-initio calculations based on density functional theory have been performed to study the structural, electronic, thermodynamic and mechanical properties of intermetallic compounds Pt3Sc and Pt3Y using the full-potential linearized augmented plane wave(FP-LAPW) method. The total energy calculations performed for L12, D022 and D024 structures confirm the experimental phase stability. Using the generalized gradient approximation (GGA), the values of enthalpies formation are -1.23 eV/atom and -1.18 eV/atom for Pt3Sc and Pt3Y, respectively. The densities of states (DOS) spectra show the existence of a pseudo-gap at the Fermi level for both compounds which indicate the strong spd hybridization and directing covalent bonding. Furthermore, the density of states at the Fermi level N(EF), the electronic specific heat coefficient (γele) and the number of bonding electrons per atom are predicted in addition to the elastic constants (C11, C12 and C44). The shear modulus (GH), Young's modulus (E), Poisson's ratio (ν), anisotropy factor (A), ratio of B/GH and Cauchy pressure (C12-C44) are also estimated. These parameters show that the Pt3Sc and Pt3Y are ductile compounds. The thermodynamic properties were calculated using the quasi-harmonic Debye model to account for their lattice vibrations. In addition, the influence of the temperature and pressure was analyzed on the heat capacities (Cp and Cv), thermal expansion coefficient (α), Debye temperature (θD) and Grüneisen parameter (γ).

40 MHz high-frequency ultrafast ultrasound imaging.

PubMed

Huang, Chih-Chung; Chen, Pei-Yu; Peng, Po-Hsun; Lee, Po-Yang

2017-06-01

Ultrafast high-frame-rate ultrasound imaging based on coherent-plane-wave compounding has been developed for many biomedical applications. Most coherent-plane-wave compounding systems typically operate at 3-15 MHz, and the image resolution for this frequency range is not sufficient for visualizing microstructure tissues. Therefore, the purpose of this study was to implement a high-frequency ultrafast ultrasound imaging operating at 40 MHz. The plane-wave compounding imaging and conventional multifocus B-mode imaging were performed using the Field II toolbox of MATLAB in simulation study. In experiments, plane-wave compounding images were obtained from a 256 channel ultrasound research platform with a 40 MHz array transducer. All images were produced by point-spread functions and cyst phantoms. The in vivo experiment was performed from zebrafish. Since high-frequency ultrasound exhibits a lower penetration, chirp excitation was applied to increase the imaging depth in simulation. The simulation results showed that a lateral resolution of up to 66.93 μm and a contrast of up to 56.41 dB were achieved when using 75-angles plane waves in compounding imaging. The experimental results showed that a lateral resolution of up to 74.83 μm and a contrast of up to 44.62 dB were achieved when using 75-angles plane waves in compounding imaging. The dead zone and compounding noise are about 1.2 mm and 2.0 mm in depth for experimental compounding imaging, respectively. The structure of zebrafish heart was observed clearly using plane-wave compounding imaging. The use of fewer than 23 angles for compounding allowed a frame rate higher than 1000 frames per second. However, the compounding imaging exhibits a similar lateral resolution of about 72 μm as the angle of plane wave is higher than 10 angles. This study shows the highest operational frequency for ultrafast high-frame-rate ultrasound imaging. © 2017 American Association of Physicists in Medicine.

Effect of wave localization on plasma instabilities

NASA Astrophysics Data System (ADS)

Levedahl, William Kirk

1987-10-01

The Anderson model of wave localization in random media is involved to study the effect of solar wind density turbulence on plasma processes associated with the solar type III radio burst. ISEE-3 satellite data indicate that a possible model for the type III process is the parametric decay of Langmuir waves excited by solar flare electron streams into daughter electromagnetic and ion acoustic waves. The threshold for this instability, however, is much higher than observed Langmuir wave levels because of rapid wave convection of the transverse electromagnetic daughter wave in the case where the solar wind is assumed homogeneous. Langmuir and transverse waves near critical density satisfy the Ioffe-Reigel criteria for wave localization in the solar wind with observed density fluctuations -1 percent. Numerical simulations of wave propagation in random media confirm the localization length predictions of Escande and Souillard for stationary density fluctations. For mobile density fluctuations localized wave packets spread at the propagation velocity of the density fluctuations rather than the group velocity of the waves. Computer simulations using a linearized hybrid code show that an electron beam will excite localized Langmuir waves in a plasma with density turbulence. An action principle approach is used to develop a theory of non-linear wave processes when waves are localized. A theory of resonant particles diffusion by localized waves is developed to explain the saturation of the beam-plasma instability. It is argued that localization of electromagnetic waves will allow the instability threshold to be exceeded for the parametric decay discussed above.

Molecular orbital studies (hardness, chemical potential, electronegativity and electrophilicity), vibrational spectroscopic investigation and normal coordinate analysis of 5-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,3-diol

NASA Astrophysics Data System (ADS)

Muthu, S.; Renuga, S.

2014-01-01

FT-IR and FT-Raman spectra of 5-{1-hydroxy-2-[(propan-2-yl) amino] ethyl} benzene-1,3-diol (abbrevi- 54 ated as HPAEBD) were recorded in the region 4000-450 cm-1 and 4000-100 cm-1 respectively. The structure of the molecule was optimized and the structural characteristics were determined by density functional theory (B3LYP) and HF method with 6-31 G(d,p) as basis set. The theoretical wave numbers were scaled and compared with experimental FT-IR and FT-Raman spectra. A detailed interpretation of the vibrational spectra of this compound has been made on the basis of the calculated Potential energy distribution (PED). Stability of the molecule arising from hyperconjugation and charge delocalization is confirmed by the natural bond orbital analysis (NBO). The results show that electron density (ED) in the σ antibonding orbitals and E (2) energies confirm the occurrence of intra molecular charge transfer (ICT) within the molecule. The molecule orbital contributions were studied by using the total (TDOS), sum of α and β electron (αβDOS) density of States. Mulliken population analysis of atomic charges is also calculated. The calculated HOMO and LUMO energy gap shows that charge transfer occurs within the molecule. The electron density-based local reactivity descriptors such as Fukui functions were calculated to explain the chemical selectivity or reactivity site in this compound. On the basis of vibrational analyses, the thermodynamic properties of title compound at different temperatures have been calculated.

Superconductivity in three-dimensional spin-orbit coupled semimetals

NASA Astrophysics Data System (ADS)

Savary, Lucile; Ruhman, Jonathan; Venderbos, Jörn W. F.; Fu, Liang; Lee, Patrick A.

2017-12-01

Motivated by the experimental detection of superconductivity in the low-carrier density half-Heusler compound YPtBi, we study the pairing instabilities of three-dimensional strongly spin-orbit coupled semimetals with a quadratic band touching point. In these semimetals the electronic structure at the Fermi energy is described by spin j =3/2 quasiparticles, which are fundamentally different from those in ordinary metals with spin j =1/2 . For both local and nonlocal pairing channels in j =3/2 materials we develop a general approach to analyzing pairing instabilities, thereby providing the computational tools needed to investigate the physics of these systems beyond phenomenological considerations. Furthermore, applying our method to a generic density-density interaction, we establish that: (i) The pairing strengths in the different symmetry channels uniquely encode the j =3/2 nature of the Fermi surface band structure—a manifestation of the fundamental difference with ordinary metals. (ii) The leading odd-parity pairing instabilities are different for electron doping and hole doping. Finally, we argue that polar phonons, i.e., Coulomb interactions mediated by the long-ranged electric polarization of the optical phonon modes, provide a coupling strength large enough to account for a Kelvin-range transition temperature in the s -wave channel, and are likely to play an important role in the overall attraction in non-s -wave channels. Moreover, the explicit calculation of the coupling strengths allows us to conclude that the two largest non-s -wave contributions occur in nonlocal channels, in contrast with what has been commonly assumed.

Modelling of Resonantly Forced Density Waves in Dense Planetary Rings

NASA Astrophysics Data System (ADS)

Lehmann, M.; Schmidt, J.; Salo, H.

2014-04-01

Density wave theory, originally proposed to explain the spiral structure of galactic disks, has been applied to explain parts of the complex sub-structure in Saturn's rings, such as the wavetrains excited at the inner Lindblad resonances (ILR) of various satellites. The linear theory for the excitation and damping of density waves in Saturn's rings is fairly well developed (e.g. Goldreich & Tremaine [1979]; Shu [1984]). However, it fails to describe certain aspects of the observed waves. The non-applicability of the linear theory is already indicated by the "cusplike" shape of many of the observed wave profiles. This is a typical nonlinear feature which is also present in overstability wavetrains (Schmidt & Salo [2003]; Latter & Ogilvie [2010]). In particular, it turns out that the detailed damping mechanism, as well as the role of different nonlinear effects on the propagation of density waves remain intransparent. First attemps are being made to investigate the excitation and propagation of nonlinear density waves within a hydrodynamical formalism, which is also the natural formalism for describing linear density waves. A simple weakly nonlinear model, derived from a multiple-scale expansion of the hydrodynamic equations, is presented. This model describes the damping of "free" spiral density waves in a vertically integrated fluid disk with density dependent transport coefficients, where the effects of the hydrodynamic nonlinearities are included. The model predicts that density waves are linearly unstable in a ring region where the conditions for viscous overstability are met, which translates to a steep dependence of the shear viscosity with respect to the disk's surface density. The possibility that this dependence could lead to a growth of density waves with increasing distance from the resonance, was already mentioned in Goldreich & Tremaine [1978]. Sufficiently far away from the ILR, the surface density perturbation caused by the wave, is predicted to saturate to a constant value due to the effects of nonlinear viscous damping. A qualitatively similar behaviour has also been predicted for the damping of nonlinear density waves, as described within a streamline formalism (Borderies, Goldreich & Tremaine [1985]). The damping lengths which follow from the weakly nonlinear model depend more or less strongly on a set of different input parameters, such as the viscosity and the surface density of the unperturbed ring state. Further, they depend on the wave's amplitude at resonance. For a real wave, which has been excited by an external satellite, this amplitude can be deduced from the magnitude of the satellite's forcing potential. Appart from that, hydrodynamical simulations are being developed to study the nonlinear damping of resonantly forced density waves.

Quantum Multicriticality near the Dirac-Semimetal to Band-Insulator Critical Point in Two Dimensions: A Controlled Ascent from One Dimension

NASA Astrophysics Data System (ADS)

Roy, Bitan; Foster, Matthew S.

2018-01-01

We compute the effects of generic short-range interactions on gapless electrons residing at the quantum critical point separating a two-dimensional Dirac semimetal and a symmetry-preserving band insulator. The electronic dispersion at this critical point is anisotropic (Ek=±√{v2kx2+b2ky2 n } with n =2 ), which results in unconventional scaling of thermodynamic and transport quantities. Because of the vanishing density of states [ϱ (E )˜|E |1 /n ], this anisotropic semimetal (ASM) is stable against weak short-range interactions. However, for stronger interactions, the direct Dirac-semimetal to band-insulator transition can either (i) become a fluctuation-driven first-order transition (although unlikely in a particular microscopic model considered here, the anisotropic honeycomb lattice extended Hubbard model) or (ii) get avoided by an intervening broken-symmetry phase. We perform a controlled renormalization group analysis with the small parameter ɛ =1 /n , augmented with a 1 /n expansion (parametrically suppressing quantum fluctuations in the higher dimension) by perturbing away from the one-dimensional limit, realized by setting ɛ =0 and n →∞ . We identify charge density wave (CDW), antiferromagnet (AFM), and singlet s -wave superconductivity as the three dominant candidates for broken symmetry. The onset of any such order at strong coupling (˜ɛ ) takes place through a continuous quantum phase transition across an interacting multicritical point, where the ordered phase, band insulator, Dirac, and anisotropic semimetals meet. We also present the phase diagram of an extended Hubbard model for the ASM, obtained via the controlled deformation of its counterpart in one dimension. The latter displays spin-charge separation and instabilities to CDW, spin density wave, and Luther-Emery liquid phases at arbitrarily weak coupling. The spin density wave and Luther-Emery liquid phases deform into pseudospin SU(2)-symmetric quantum critical points separating the ASM from the AFM and superconducting orders, respectively. Our phase diagram shows an intriguing interplay among CDW, AFM, and s -wave paired states that can be germane for a uniaxially strained optical honeycomb lattice for ultracold fermion atoms, or the organic compound α -(BEDT -TTF )2I3 .

Effect of wave localization on plasma instabilities. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Levedahl, William Kirk

1987-01-01

The Anderson model of wave localization in random media is involved to study the effect of solar wind density turbulence on plasma processes associated with the solar type III radio burst. ISEE-3 satellite data indicate that a possible model for the type III process is the parametric decay of Langmuir waves excited by solar flare electron streams into daughter electromagnetic and ion acoustic waves. The threshold for this instability, however, is much higher than observed Langmuir wave levels because of rapid wave convection of the transverse electromagnetic daughter wave in the case where the solar wind is assumed homogeneous. Langmuir and transverse waves near critical density satisfy the Ioffe-Reigel criteria for wave localization in the solar wind with observed density fluctuations -1 percent. Numerical simulations of wave propagation in random media confirm the localization length predictions of Escande and Souillard for stationary density fluctations. For mobile density fluctuations localized wave packets spread at the propagation velocity of the density fluctuations rather than the group velocity of the waves. Computer simulations using a linearized hybrid code show that an electron beam will excite localized Langmuir waves in a plasma with density turbulence. An action principle approach is used to develop a theory of non-linear wave processes when waves are localized. A theory of resonant particles diffusion by localized waves is developed to explain the saturation of the beam-plasma instability. It is argued that localization of electromagnetic waves will allow the instability threshold to be exceeded for the parametric decay discussed above.

THE CM-, MM-, AND SUB-MM-WAVE SPECTRUM OF ALLYL ISOCYANIDE AND RADIOASTRONOMICAL OBSERVATIONS IN ORION KL AND THE SgrB2 LINE SURVEYS

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

Haykal, I.; Margulès, L.; Huet, T. R.

2013-11-10

Organic isocyanides have an interesting astrochemistry and some of these molecules have been detected in the interstellar medium (ISM). However, rotational spectral data for this class of compounds are still scarce. We provide laboratory spectra of the four-carbon allyl isocyanide covering the full microwave region, thus allowing a potential astrophysical identification in the ISM. We assigned the rotational spectrum of the two cis (synperiplanar) and gauche (anticlinal) conformations of allyl isocyanide in the centimeter-wave region (4-18 GHz), resolved its {sup 14}N nuclear quadrupole coupling (NQC) hyperfine structure, and extended the measurements into the millimeter and submillimeter-wave (150-900 GHz) ranges formore » the title compound. Rotational constants for all the monosubstituted {sup 13}C and {sup 15}N isotopologues are additionally provided. Laboratory observations are supplemented with initial radioastronomical observations. Following analysis of an extensive dataset (>11000 rotational transitions), accurate ground-state molecular parameters are reported for the cis and gauche conformations of the molecule, including rotational constants, NQC parameters, and centrifugal distortion terms up to octic contributions. Molecular parameters have also been obtained for the two first excited states of the cis conformation, with a dataset of more than 3300 lines. The isotopic data allowed determining substitution and effective structures for the title compound. We did not detect allyl isocyanide either in the IRAM 30 m line survey of Orion KL or in the PRIMOS survey toward SgrB2. Nevertheless, we provided an upper limit to its column density in Orion KL.« less

Damping of Resonantly Forced Density Waves in Dense Planetary Rings

NASA Astrophysics Data System (ADS)

Lehmann, Marius; Schmidt, Jürgen; Salo, Heikki

2016-10-01

We address the stability of resonantly forced density waves in dense planetary rings.Already by Goldreich and Tremaine (1978) it has been argued that density waves might be unstable, depending on the relationship between the ring's viscosity and the surface mass density. In the recent paper (Schmidt et al. 2016) we have pointed out that when - within a fluid description of the ring dynamics - the criterion for viscous overstability is satisfied, forced spiral density waves become unstable as well. In this case, linear theory fails to describe the damping.We apply the multiple scale formalism to derive a weakly nonlinear damping relation from a hydrodynamical model.This relation describes the resonant excitation and nonlinear viscous damping of spiral density waves in a vertically integrated fluid disk with density dependent transport coefficients. The model consistently predicts linear instability of density waves in a ring region where the conditions for viscous overstability are met. In this case, sufficiently far away from the Lindblad resonance, the surface mass density perturbation is predicted to saturate to a constant value due to nonlinear viscous damping. In general the model wave damping lengths depend on a set of input parameters, such as the distance to the threshold for viscous overstability and the ground state surface mass density.Our new model compares reasonably well with the streamline model for nonlinear density waves of Borderies et al. 1986.Deviations become substantial in the highly nonlinear regime, corresponding to strong satellite forcing.Nevertheless, we generally observe good or at least qualitative agreement between the wave amplitude profiles of both models. The streamline approach is superior at matching the total wave profile of waves observed in Saturn's rings, while our new damping relation is a comparably handy tool to gain insight in the evolution of the wave amplitude with distance from resonance, and the different regimes of wave formation and the dependence on the parameters of the model.

Electronic, magnetic properties and phase diagrams of system with Fe4N compound: An ab initio calculations and Monte Carlo study

NASA Astrophysics Data System (ADS)

Masrour, R.; Jabar, A.; Hlil, E. K.

2018-05-01

Self-consistent ab initio calculations, based on Density Functional Theory (DFT) approach and using Full potential Linear Augmented Plane Wave (FLAPW) method, are performed to investigate the electronic and magnetic properties of the Fe4N compound. Polarized spin and spin-orbit coupling are included in calculations within the framework of the ferromagnetic state between Fe(I) and Fe(II) in Fe4N compound. We have used the obtained data from abinitio calculations as an input in Monte Carlo simulation to calculate the magnetic properties of this compounds such as the ground state phase diagrams, total and partial magnetization of Fe(I) and Fe(II) as well as the transition temperatures are computed. The variation of magnetization with the crystal field are also studied. The magnetic hysteresis cycle of the same Fe4N compound are determined for different values of temperatures and crystal field values. The two-step hysteresis loop are evidenced, which is typical for Fe4N structure. The ferromagnetic and superparamagnetic phase is observed as well.

Optoelectronic and transport properties of LiBZ (B = Al, In, Ga and Z = Si, Ge, Sn) semiconductors

NASA Astrophysics Data System (ADS)

Shah, Syed Hatim; Khan, Shah Haider; Laref, A.; Murtaza, G.

2018-02-01

Half-Heusler compounds LiBZ (B = Al, In, Ga and Z = Si, Ge, Sn) are comprehensively investigated using state of the art full potential linearized augmented plane wave (FP-LAPW) method. Stable geometry of the compounds obtained through energy minimization procedure. Lattice constant increased while bulk modulus decreased in replacing the ions of size increasing from top to bottom of the periodic table. Band structure calculations show LiInGe and LiInSn as direct bandgap while LiAlSi, LiInGe and LiGaSn indirect bandgap semiconductors. Density of states demonstrates mixed s, p, d states of cations and anions in the valence and conduction bands. These compounds have mixed ionic and covalent bonding. Compounds show dominant optical response in the visible and low frequency ultraviolet energy region. The transport properties of the compounds are described in terms of Seebeck coefficient, electrical and thermal conductivities. The calculated figure of merit of LiAlSi is in good agreement with the recent experimental results.

In situ Observations of Magnetosonic Waves Modulated by Background Plasma Density

NASA Astrophysics Data System (ADS)

Yu, X.; Yuan, Z.; Huang, S.; Wang, D.; Funsten, H. O.

2017-12-01

We report in situ observations by the Van Allen Probe mission that magnetosonic (MS) waves are clearly relevant to appear relevant to the background plasma number density. As the satellite moved across dense and tenuous plasma alternatively, MS waves occurred only in lower density region. As the observed protons with 'ring' distributions provide free energy, local linear growth rates are calculated and show that magnetosonic waves can be locally excited in tenuous plasma. With variations of the background plasma density, the temporal variations of local wave growth rates calculated with the observed proton ring distributions, show a remarkable agreement with those of the observed wave amplitude. Therefore, the paper provides a direct proof that background plasma densities can modulate the amplitudes of magnetosonic waves through controlling the wave growth rates.

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

Aliev, Ziya S., E-mail: ziyasaliev@gmail.com; Institute of Physics, ANAS, H.Javid ave. 131, AZ1143 Baku; Donostia International Physics Center

Single crystals of the ternary copper compounds CuTlS and CuTlSe have been successfully grown from stoichiometric melt by using vertical Bridgman-Stockbarger method. The crystal structure of the both compounds has been determined by powder and single crystal X-Ray diffraction. They crystallize in the PbFCl structure type with two formula units in the tetragonal system, space group P4/nmm, a=3.922(2); c=8.123(6); Z=2 and a=4.087(6); c=8.195(19) Å; Z=2, respectively. The band structure of the reported compounds has been analyzed by means of full-potential linearized augmented plane-wave (FLAPW) method based on the density functional theory (DFT). Both compounds have similar band structures and aremore » narrow-gap semiconductors with indirect band gap. The resistivity measurements agree with a semiconductor behavior although anomalies are observed at low temperature. - Graphical abstract: The crystal structures of CuTl and CuTlSe are isostructural with the PbFCl-type and the superconductor LiFeAs-type tetragonal structure. The band structure calculations confirmed that they are narrow-gap semiconductors with indirect band gaps of 0.326 and 0.083 eV. The resistivity measurements, although confirming the semiconducting behavior of both compounds exhibit unusual anomalies at low temperatures. - Highlights: • Single crystals of CuTlS and CuTlSe have been successfully grown by Bridgman-Stockbarger method. • The crystal structure of the both compounds has been determined by single crystal XRD. • The band structure of the both compounds has been analyzed based on the density functional theory (DFT). • The resistivity measurements have been carried out from room temperature down to 10 K.« less

Explosively driven low-density foams and powders

DOEpatents

Viecelli, James A [Orinda, CA; Wood, Lowell L [Simi Valley, CA; Ishikawa, Muriel Y [Livermore, CA; Nuckolls, John H [Danville, CA; Pagoria, Phillip F [Livermore, CA

2010-05-04

Hollow RX-08HD cylindrical charges were loaded with boron and PTFE, in the form of low-bulk density powders or powders dispersed in a rigid foam matrix. Each charge was initiated by a Comp B booster at one end, producing a detonation wave propagating down the length of the cylinder, crushing the foam or bulk powder and collapsing the void spaces. The PdV work done in crushing the material heated it to high temperatures, expelling it in a high velocity fluid jet. In the case of boron particles supported in foam, framing camera photos, temperature measurements, and aluminum witness plates suggest that the boron was completely vaporized by the crush wave and that the boron vapor turbulently mixed with and burned in the surrounding air. In the case of PTFE powder, X-ray photoelectron spectroscopy of residues recovered from fragments of a granite target slab suggest that heating was sufficient to dissociate the PTFE to carbon vapor and molecular fluorine which reacted with the quartz and aluminum silicates in the granite to form aluminum oxide and mineral fluoride compounds.

Double-Q spin-density wave in iron arsenide superconductors

DOE PAGES

Allred, J. M.; Taddei, K. M.; Bugaris, D. E.; ...

2016-01-25

Elucidating the nature of the magnetic ground state of iron-based superconductors is of paramount importance in unveiling the mechanism behind their high temperature superconductivity. Until recently, it was thought that superconductivity emerges only from an orthorhombic antiferromagnetic stripe phase, which can in principle be described in terms of either localized or itinerant spins. However, we recently reported that tetragonal symmetry is restored inside the magnetically ordered state of certain hole-doped compounds, revealing the existence of a new magnetic phase at compositions close to the onset of superconductivity. Here, we present Mossbauer data that show that half of the iron sitesmore » in this tetragonal phase are non-magnetic, establishing conclusively the existence of a novel magnetic ground state with a non-uniform magnetization that is inconsistent with localized spins. Instead, this state is naturally explained as the interference between two commensurate spin density waves, a rare example of collinear double-Q magnetic order. Finally, our results demonstrate the itinerant character of the magnetism of the iron pnictides, and the primary role played by magnetic degrees of freedom in determining their phase diagram.« less

Optically generated ultrasound for enhanced drug delivery

DOEpatents

Visuri, Steven R.; Campbell, Heather L.; Da Silva, Luiz

2002-01-01

High frequency acoustic waves, analogous to ultrasound, can enhance the delivery of therapeutic compounds into cells. The compounds delivered may be chemotherapeutic drugs, antibiotics, photodynamic drugs or gene therapies. The therapeutic compounds are administered systemically, or preferably locally to the targeted site. Local delivery can be accomplished through a needle, cannula, or through a variety of vascular catheters, depending on the location of routes of access. To enhance the systemic or local delivery of the therapeutic compounds, high frequency acoustic waves are generated locally near the target site, and preferably near the site of compound administration. The acoustic waves are produced via laser radiation interaction with an absorbing media and can be produced via thermoelastic expansion, thermodynamic vaporization, material ablation, or plasma formation. Acoustic waves have the effect of temporarily permeabilizing the membranes of local cells, increasing the diffusion of the therapeutic compound into the cells, allowing for decreased total body dosages, decreased side effects, and enabling new therapies.

X-ray photoelectron spectrum and electronic properties of a noncentrosymmetric chalcopyrite compound HgGa(2)S(4): LDA, GGA, and EV-GGA.

PubMed

Reshak, Ali Hussain; Khenata, R; Kityk, I V; Plucinski, K J; Auluck, S

2009-04-30

An all electron full potential linearized augmented plane wave method has been applied for a theoretical study of the band structure, density of states, and electron charge density of a noncentrosymmetric chalcopyrite compound HgGa(2)S(4) using three different approximations for the exchange correlation potential. Our calculations show that the valence band maximum (VBM) and conduction band minimum (CBM) are located at Gamma resulting in a direct energy gap of about 2.0, 2.2, and 2.8 eV for local density approximation (LDA), generalized gradient approximation (GGA), and Engel-Vosko (EVGGA) compared to the experimental value of 2.84 eV. We notice that EVGGA shows excellent agreement with the experimental data. This agreement is attributed to the fact that the Engel-Vosko GGA formalism optimizes the corresponding potential for band structure calculations. We make a detailed comparison of the density of states deduced from the X-ray photoelectron spectra with our calculations. We find that there is a strong covalent bond between the Hg and S atoms and Ga and S atoms. The Hg-Hg, Ga-Ga, and S-S bonds are found to be weaker than the Hg-S and Ga-S bonds showing that a covalent bond exists between Hg and S atoms and Ga and S atoms.

Elastic, Optoelectronic and Thermoelectric Properties of the Lead-Free Halide Semiconductors Cs2AgBi X 6 ( X = Cl, Br): Ab Initio Investigation

NASA Astrophysics Data System (ADS)

Guechi, N.; Bouhemadou, A.; Bin-Omran, S.; Bourzami, A.; Louail, L.

2018-02-01

We report a detailed investigation of the elastic moduli, electronic band structure, density of states, chemical bonding, electron and hole effective masses, optical response functions and thermoelectric properties of the lead-free halide double perovskites Cs2AgBiCl6 and Cs2AgBiBr6 using the full potential linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA-PBEsol) and the Tran-Blaha modified Becke-Johnson (TB-mBJ) potential. Because of the presence of heavy elements in the studied compounds, we include the spin-orbit coupling (SOC) effect. Our calculated structural parameters agree very well with the available experimental and theoretical findings. Single-crystal and polycrystalline elastic constants are predicted using the total-energy versus strain approach. Three-dimensional representations of the crystallographic direction dependence on the shear modulus, Young's modulus and Poisson's ratio demonstrate a noticeable elastic anisotropy. The TB-mBJ potential with SOC yields an indirect band gap of 2.44 (1.93) eV for Cs2AgBiCl6 (Cs2AgBiBr6), in good agreement with the existing experimental data. The chemical bonding features are probed via density of states and valence electron density distribution calculations. Optical response functions were predicted from the calculated band structure. Both of the investigated compounds have a significant absorption coefficient (˜ 25 × 104 {cm}^{ - 1} ) in the visible range of sunlight. The thermoelectric properties of the title compounds were investigated using the FP-LAPW approach in combination with the semi-classical Boltzmann transport theory. The Cs2AgBiCl6 and Cs2AgBiBr6 compounds have a large thermopower S, which makes them potential candidates for thermoelectric applications.

Impact of density information on Rayleigh surface wave inversion results

NASA Astrophysics Data System (ADS)

Ivanov, Julian; Tsoflias, Georgios; Miller, Richard D.; Peterie, Shelby; Morton, Sarah; Xia, Jianghai

2016-12-01

We assessed the impact of density on the estimation of inverted shear-wave velocity (Vs) using the multi-channel analysis of surface waves (MASW) method. We considered the forward modeling theory, evaluated model sensitivity, and tested the effect of density information on the inversion of seismic data acquired in the Arctic. Theoretical review, numerical modeling and inversion of modeled and real data indicated that the density ratios between layers, not the actual density values, impact the determination of surface-wave phase velocities. Application on real data compared surface-wave inversion results using: a) constant density, the most common approach in practice, b) indirect density estimates derived from refraction compressional-wave velocity observations, and c) from direct density measurements in a borehole. The use of indirect density estimates reduced the final shear-wave velocity (Vs) results typically by 6-7% and the use of densities from a borehole reduced the final Vs estimates by 10-11% compared to those from assumed constant density. In addition to the improved absolute Vs accuracy, the resulting overall Vs changes were unevenly distributed laterally when viewed on a 2-D section leading to an overall Vs model structure that was more representative of the subsurface environment. It was observed that the use of constant density instead of increasing density with depth not only can lead to Vs overestimation but it can also create inaccurate model structures, such as a low-velocity layer. Thus, optimal Vs estimations can be best achieved using field estimates of subsurface density ratios.

Electrostatic lower hybrid waves excited by electromagnetic whistler mode waves scattering from planar magnetic-field-aligned plasma density irregularities

NASA Technical Reports Server (NTRS)

Bell, T. F.; Ngo, H. D.

1990-01-01

This paper presents a theoretical model for electrostatic lower hybrid waves excited by electromagnetic whistler mode waves propagating in regions of the magnetosphere and the topside ionosphere, where small-scale magnetic-field-aligned plasma density irregularities are thought to exist. In this model, the electrostatic waves are excited by linear mode coupling as the incident electromagnetic whistler mode waves scatter from the magnetic-field-aligned plasma density irregularities. Results indicate that high-amplitude short-wavelength (5 to 100 m) quasi-electrostatic whistler mode waves can be excited when electromagnetic whistler mode waves scatter from small-scale planar magnetic-field-aligned plasma density irregularities in the topside ionosphere and magnetosphere.

Molecular orbital studies (hardness, chemical potential, electronegativity and electrophilicity), vibrational spectroscopic investigation and normal coordinate analysis of 5-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,3-diol.

PubMed

Muthu, S; Renuga, S

2014-01-24

FT-IR and FT-Raman spectra of 5-{1-hydroxy-2-[(propan-2-yl) amino] ethyl} benzene-1,3-diol (abbrevi- 54 ated as HPAEBD) were recorded in the region 4000-450 cm(-1) and 4000-100 cm(-1) respectively. The structure of the molecule was optimized and the structural characteristics were determined by density functional theory (B3LYP) and HF method with 6-31 G(d,p) as basis set. The theoretical wave numbers were scaled and compared with experimental FT-IR and FT-Raman spectra. A detailed interpretation of the vibrational spectra of this compound has been made on the basis of the calculated Potential energy distribution (PED). Stability of the molecule arising from hyperconjugation and charge delocalization is confirmed by the natural bond orbital analysis (NBO). The results show that electron density (ED) in the σ antibonding orbitals and E (2) energies confirm the occurrence of intra molecular charge transfer (ICT) within the molecule. The molecule orbital contributions were studied by using the total (TDOS), sum of α and β electron (αβDOS) density of States. Mulliken population analysis of atomic charges is also calculated. The calculated HOMO and LUMO energy gap shows that charge transfer occurs within the molecule. The electron density-based local reactivity descriptors such as Fukui functions were calculated to explain the chemical selectivity or reactivity site in this compound. On the basis of vibrational analyses, the thermodynamic properties of title compound at different temperatures have been calculated. Copyright © 2013 Elsevier B.V. All rights reserved.

Investigation of half-metallic ferromagnetism in Heusler compounds Co2VZ (Z = Ga, Ge, As, Se)

NASA Astrophysics Data System (ADS)

Han, Jiajia; Wang, Zhengwei; Xu, Weiwei; Wang, Cuiping; Liu, Xingjun

2017-11-01

The electronic structures and magnetic properties of 3d transition metal-based full Heusler compounds Co2VZ (Z = Ga, Ge, As, Se) are investigated using the projector augmented wave (PAW) pseudopotential method. By considering the strong localization of Co 3d-states and V 3d-states at the Fermi level, these Co2VZ (Z = Ga, Ge, As, Se) compounds were treated in the framework of the generalized gradient approximation (GGA)+U method, and the results from the conventional GGA method are presented for comparison. The results that were obtained from the density of states with the GGA+U and GGA methods show that the Co2VGa compound is a half-metallic ferromagnet. For the Co2VGe and Co2VAs compounds, the GGA+U method predicts that these two compounds are half-metallic ferromagnetic by shifting the Fermi level to a lower value with respect to the gap in the minority states, when compared to the conventional GGA method. The energy gaps are determined to be 0.283 eV and 0.425 eV, respectively. However, these results show that the density of states of the Co2VSe compound has a metallic character, although the 3d states were corrected when using the GGA+U method. We found that the characteristic of half-metallic ferromagnetism is attributed to the interaction between the V 3d-states other than Co 3d-states. The calculated total magnetic moments are 2.046 μB, 3.054 μB and 4.012 μB respectively for the Co2VZ (Z = Ga, Ge, As) compounds with the GGA+U method. The relationship between total spin magnetic moment per formula unit and total number of valence electrons of these Heusler compounds is in agreement with the Slater-Pauling rule.

Pondermotive versus mirror force in creation of the filamentary cavities in auroral plasma

NASA Technical Reports Server (NTRS)

Singh, Nagendra

1994-01-01

Recently rocket observations on spikelets of lower-hybrid waves along with strong density cavities and transversely heated ions were reported. The observed thin filamentary cavities oriented along the magnetic field in the auroral plasma have density depletions up to several tens of percent. These observations have been interpreted in terms of a theory for lower-hybrid wave condensation and collapse. The modulational instability leading to the wave consensation of the lower-hybrid waves yields only weak density perturbations, which cannot explain the above strong density depletions. The wave collapse theory is based on the nonlinear pondermotive force in a homogeneous ambient plasma and the density depletion is determined by the balance between the wave pressure (pondermotive force) and the plasma pressure. In the auroral plasma, the balance is achieved in a time tau(sub wc) equal to or less than 1 ms. It is shown here that the mirror force, acting on the transversely heated ions at a relatively long time scale, is an effective mechanism for creating the strong plasma cavities. We suggest that the process of wave condensation, through the pondermotive force causing generation of short wavelength waves from relatively long wavelength waves, is a dominant process until the former waves evolve and become effective in the transverse heating of ions. As soon as this happens, mirror force on ions becomes an important factor in the creation of the density cavities, which may further trap and enhance the waves. Results from a model of cavity formation by transverse ion heating show that the observed depletions in the density cavities can be produced by the heating rates determined by the observed wave amplitudes near the lower-hybrid frequency. It is found that the creation of a strong density cavity takes a few minutes.

Electronic states of domain structure in 1T-TaS2-x Se x observed by STM/STS

NASA Astrophysics Data System (ADS)

Fujii, D.; Iwasaki, T.; Akiyama, K.; Fujisawa, Y.; Demura, S.; Sakata, H.

2018-03-01

We report on a systematic scanning tunneling microscopy and spectroscopy (STM/STS) study on 1T–TaS2-x Se x (x = 0, 0.3, 1.0) at 4.2 K. While the compounds with x = 0 and 0.3, which undergoes the Mott transition, showed the commensurate charge density wave (CDW) with the period of \\sqrt{13}{a}0× \\sqrt{13}{a}0 (a 0 is in-plane lattice constant), the compound with x=1, which shows superconductivity at 3.5 K, exhibits anomalous domain structure: The domain structure consists of regions with regular array of David-stars divided by bright contrasted walls at positive bias voltage. We found the domain wall showed the different electronic state from that of the domain.

Accurate critical pressures for structural phase transitions of group IV, III-V, and II-VI compounds from the SCAN density functional

NASA Astrophysics Data System (ADS)

Shahi, Chandra; Sun, Jianwei; Perdew, John P.

2018-03-01

Most of the group IV, III-V, and II-VI compounds crystallize in semiconductor structures under ambient conditions. Upon application of pressure, they undergo structural phase transitions to more closely packed structures, sometimes metallic phases. We have performed density functional calculations using projector augmented wave (PAW) pseudopotentials to determine the transition pressures for these transitions within the local density approximation (LDA), the Perdew-Burke-Ernzerhof (PBE) generalized gradient approximation (GGA), and the strongly constrained and appropriately normed (SCAN) meta-GGA. LDA underestimates the transition pressure for most of the studied materials. PBE under- or overestimates in many cases. SCAN typically corrects the errors of LDA and PBE for the transition pressure. The accuracy of SCAN is comparable to that of computationally expensive methods like the hybrid functional HSE06, the random phase approximation (RPA), and quantum Monte Carlo (QMC), in cases where calculations with these methods have been reported, but at a more modest computational cost. The improvement from LDA to PBE to SCAN is especially clearcut and dramatic for covalent semiconductor-metal transitions, as for Si and Ge, where it reflects the increasing relative stabilization of the covalent semiconducting phases under increasing functional sophistication.

Submillimeter wave spectroscopy of ethyl isocyanide and its searches in Orion

NASA Astrophysics Data System (ADS)

Margulès, L.; Tercero, B.; Guillemin, J. C.; Motiyenko, R. A.; Cernicharo, J.

2018-02-01

Context. About 40 cyanide compounds have been detected in the interstellar medium, but only 3 examples of organic isocyanide compounds were observed in this medium. Ethyl isocyanide is one of the best candidates for possible detection. Aim. To date, measurements of rotational spectra are limited to 40 GHz. The extrapolation of the prediction in the millimeter wave domain is inaccurate and does not permit an unambiguous detection. Methods: The rotational spectra were reinvestigated from 0.15 to 1 THz. Using the new prediction, we searched for the compound ethyl isocyanide in Orion KL and Sgr B2. Results: We newly assigned 2906 transitions and fitted these new data with those from previous studies, reaching quantum numbers up to J = 103 and Ka = 30. The asymmetric top Hamiltonian proposed by Watson in the Ir representation was used for the analysis, and both reductions A and S were tested. The search for CH3CH2NC in Sgr B2 (IRAM 30m) and Orion KL (IRAM 30m, ALMA Science Verification) result in a non-detection; upper limits to the column density were derived. Tables S1-S4 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/610/A44

Density variation effect on multi-ions with kinetic Alfven wave around cusp region—a kinetic approach

NASA Astrophysics Data System (ADS)

Tamrakar, Radha; Varma, P.; Tiwari, M. S.

2018-01-01

The kinetic Alfven waves in the presence of homogeneous magnetic field plasma with multi-ions effect are investigated. The dispersion relation and normalised damping rate are derived for low-β plasma using kinetic theory. The effect of density variation of H+, He+ and O+ ions is observed on frequency and damping rate of the wave. The variation of frequency (ω) and normalised damping rate (γ / Ω_{H^{ +}} ) of the wave are studied with respect to k_{ \\bot} ρj, where k_{ \\bot} is the perpendicular wave number, ρj is the ion gyroradius and j denotes H+, He+ and O+ ions. The variation with k_{ \\bot} ρj is considered over wide range. The parameters appropriate to cusp region are used for the explanation of results. It is found that with hydrogen and helium ions gyration, the frequency of wave is influenced by the density variation of H+ and He+ ions but remains insensitive to the change in density of O+ ions. For oxygen ion gyration, the frequency of wave varies over a short range only for O+ ion density variation. The wave shows damping at lower altitude due to variation in density of lighter H+ and He+ ions whereas at higher altitude only heavy O+ ions contribute in wave damping. The damping of wave may be due to landau damping or energy transfer from wave to particles. The present study signifies that the both lighter and heavier ions dominate differently to change the characteristics of kinetic Alfven wave and density variation is also an important parameter to understand wave phenomena in cusp region.

A Weakly Nonlinear Model for the Damping of Resonantly Forced Density Waves in Dense Planetary Rings

NASA Astrophysics Data System (ADS)

Lehmann, Marius; Schmidt, Jürgen; Salo, Heikki

2016-10-01

In this paper, we address the stability of resonantly forced density waves in dense planetary rings. Goldreich & Tremaine have already argued that density waves might be unstable, depending on the relationship between the ring’s viscosity and the surface mass density. In the recent paper Schmidt et al., we have pointed out that when—within a fluid description of the ring dynamics—the criterion for viscous overstability is satisfied, forced spiral density waves become unstable as well. In this case, linear theory fails to describe the damping, but nonlinearity of the underlying equations guarantees a finite amplitude and eventually a damping of the wave. We apply the multiple scale formalism to derive a weakly nonlinear damping relation from a hydrodynamical model. This relation describes the resonant excitation and nonlinear viscous damping of spiral density waves in a vertically integrated fluid disk with density dependent transport coefficients. The model consistently predicts density waves to be (linearly) unstable in a ring region where the conditions for viscous overstability are met. Sufficiently far away from the Lindblad resonance, the surface mass density perturbation is predicted to saturate to a constant value due to nonlinear viscous damping. The wave’s damping lengths of the model depend on certain input parameters, such as the distance to the threshold for viscous overstability in parameter space and the ground state surface mass density.

Laboratory-Scale Internal Wave Apparatus for Studying Copepod Behavior

NASA Astrophysics Data System (ADS)

Jung, S.; Webster, D. R.; Haas, K. A.; Yen, J.

2016-02-01

Internal waves are ubiquitous features in coastal marine environments and have been observed to mediate vertical distributions of zooplankton in situ. Internal waves create fine-scale hydrodynamic cues that copepods and other zooplankton are known to sense, such as fluid density gradients and velocity gradients (quantified as shear deformation rate). The role of copepod behavior in response to cues associated with internal waves is largely unknown. The objective is to provide insight to the bio-physical interaction and the role of biological versus physical forcing in mediating organism distributions. We constructed a laboratory-scale internal wave apparatus to facilitate fine-scale observations of copepod behavior in flows that replicate in situ conditions of internal waves in two-layer stratification. Two cases were chosen with density jump of 1 and 1.5 sigma-t units. Analytical analysis of the two-layer system provided guidance to the target forcing frequency needed to generate a standing internal wave with a single dominate frequency of oscillation. Flow visualization and signal processing of the interface location were used to quantify the wave characteristics. The results show a close match to the target wave parameters. Marine copepod (mixed population of Acartia tonsa, Temora longicornis, and Eurytemora affinis) behavior assays were conducted for three different physical arrangements: (1) no density stratification, (2) stagnant two-layer density stratification, and (3) two-layer density stratification with internal wave motion. Digitized trajectories of copepod swimming behavior indicate that in the control (case 1) the animals showed no preferential motion in terms of direction. In the stagnant density jump treatment (case 2) copepods preferentially moved horizontally, parallel to the density interface. In the internal wave treatment (case 3) copepods demonstrated orbital trajectories near the density interface.

Experimental studies of interactions between Alfv'en waves and striated density depletions in the LAPD

NASA Astrophysics Data System (ADS)

Auerbach, D. W.; Carter, T. A.; Vincena, S.

2008-11-01

Satellite measurements in the earth's magnetosphere have associated Alfv'en frequency fluctuations with density depletions striated along the geomagnetic field. This poster presents laboratory studies in the LADP experiment at UCLA modeling this phenomena. Density depletions are pre-formed in the plasma column by selectively blocking a portion of the drive beam, and Alfv'en waves are driven in the cavity by means of an inserted antenna. Relevant experimental parameters include an ion cyclotron radius around a mm, alfven parallel wavelength several meters, electron inertial length around 6 mm, and electron thermal speeds about a third of the alfv'en speed. We report here on modifications to the wave propagation due to the density depletion. We also report on the details of the interactions between the driven wave and the secondary drift-alfv'en wave instabilities that arise on the density boundary, including wave-wave interactions and possible turbulent broadening effects on the main wave.

Transmission of a detonation across a density interface

NASA Astrophysics Data System (ADS)

Tang Yuk, K. C.; Mi, X. C.; Lee, J. H. S.; Ng, H. D.

2018-05-01

The present study investigates the transmission of a detonation wave across a density interface. The problem is first studied theoretically considering an incident Chapman-Jouguet (CJ) detonation wave, neglecting its detailed reaction-zone structure. It is found that, if there is a density decrease at the interface, a transmitted strong detonation wave and a reflected expansion wave would be formed; if there is a density increase, one would obtain a transmitted CJ detonation wave followed by an expansion wave and a reflected shock wave. Numerical simulations are then performed considering that the incident detonation has the Zel'dovich-von Neumann-Döring reaction-zone structure. The transient process that occurs subsequently to the detonation-interface interaction has been captured by the simulations. The effects of the magnitude of density change across the interface and different reaction kinetics (i.e., single-step Arrhenius kinetics vs. two-step induction-reaction kinetics) on the dynamics of the transmission process are explored. After the transient relaxation process, the transmitted wave reaches the final state in the new medium. For the cases with two-step induction-reaction kinetics, the transmitted wave fails to evolve to a steady detonation wave if the magnitude of density increase is greater than a critical value. For the cases wherein the transmitted wave can evolve to a steady detonation, the numerical results for both reaction models give final propagation states that agree with the theoretical solutions.

Hardrock Elastic Physical Properties: Birch's Seismic Parameter Revisited

NASA Astrophysics Data System (ADS)

Wu, M.; Milkereit, B.

2014-12-01

Identifying rock composition and properties is imperative in a variety of fields including geotechnical engineering, mining, and petroleum exploration, in order to accurately make any petrophysical calculations. Density is, in particular, an important parameter that allows us to differentiate between lithologies and estimate or calculate other petrophysical properties. It is well established that compressional and shear wave velocities of common crystalline rocks increase with increasing densities (i.e. the Birch and Nafe-Drake relationships). Conventional empirical relations do not take into account S-wave velocity. Physical properties of Fe-oxides and massive sulfides, however, differ significantly from the empirical velocity-density relationships. Currently, acquiring in-situ density data is challenging and problematic, and therefore, developing an approximation for density based on seismic wave velocity and elastic moduli would be beneficial. With the goal of finding other possible or better relationships between density and the elastic moduli, a database of density, P-wave velocity, S-wave velocity, bulk modulus, shear modulus, Young's modulus, and Poisson's ratio was compiled based on a multitude of lab samples. The database is comprised of isotropic, non-porous metamorphic rock. Multi-parameter cross plots of the various elastic parameters have been analyzed in order to find a suitable parameter combination that reduces high density outliers. As expected, the P-wave velocity to S-wave velocity ratios show no correlation with density. However, Birch's seismic parameter, along with the bulk modulus, shows promise in providing a link between observed compressional and shear wave velocities and rock densities, including massive sulfides and Fe-oxides.

Theoretical investigation of the structural, electronic, dynamical and thermal properties of YSn3 and YPb3

NASA Astrophysics Data System (ADS)

Kılıçarslan, Aynur; Salmankurt, Bahadır; Duman, Sıtkı

2017-02-01

We have performed an ab initio study of the structural, electronic, dynamical and thermal properties of the cubic AuCu3-type YSn3 and YPb3 by using the density functional theory, plane-wave pseudopotential method and a linear response scheme, within the generalized gradient approximation. An analysis of the electronic density of states at the Fermi level is found to be governed by the p states of Sn and Pb atoms with some contributions from the d states of Y atoms. The obtained phonon figures indicate that these material are dynamically stable in the cubic structure. Due to the metallic behavior of the compounds, the calculated zone-center phonon modes are triply degenerate. Also the thermal properties have been examined.

Ab initio and density functional computations of the vibrational spectrum, molecular geometry and some molecular properties of the antidepressant drug sertraline (Zoloft) hydrochloride

NASA Astrophysics Data System (ADS)

Sagdinc, Seda; Kandemirli, Fatma; Bayari, Sevgi Haman

2007-02-01

Sertraline hydrochloride is a highly potent and selective inhibitor of serotonin (5HT). It is a basic compound of pharmaceutical application for antidepressant treatment (brand name: Zoloft). Ab initio and density functional computations of the vibrational (IR) spectrum, the molecular geometry, the atomic charges and polarizabilities were carried out. The infrared spectrum of sertraline is recorded in the solid state. The observed IR wave numbers were analysed in light of the computed vibrational spectrum. On the basis of the comparison between calculated and experimental results and the comparison with related molecules, assignments of fundamental vibrational modes are examined. The X-ray geometry and experimental frequencies are compared with the results of our theoretical calculations.

Local spin density functional investigations of a manganite with perovskite-type derived structures

NASA Astrophysics Data System (ADS)

Matar, S. F.; Studer, F.; Siberchicot, B.; Subramanian, M. A.; Demazeau, G.; Etourneau, J.

1998-11-01

The electronic and magnetic structures of the perovskite CaMnO3 are self-consistently calculated assuming two crystal structures at the same formula unit volume within the local spin density functional theory and the augmented spherical wave (ASW) method. From the comparisons of energy differences between the different magnetic states the ground state configuration is an insulator with G-type ordering. This result together with the magnitudes of the magnetic moments are in agreement with experiment. The influence of mixing between Mn and O is found spin dependent from the analysis of the crystal orbital overlap population (COOP) which enable to describe the chemical bond. The calculations underline a feature of a half metallic ferromagnet which could be connected with the colossal magnetoresistance (CMR) property of related compounds.

Magnetic Fluctuations in Pair-Density-Wave Superconductors

NASA Astrophysics Data System (ADS)

Christensen, Morten H.; Jacobsen, Henrik; Maier, Thomas A.; Andersen, Brian M.

2016-04-01

Pair-density-wave superconductivity constitutes a novel electronic condensate proposed to be realized in certain unconventional superconductors. Establishing its potential existence is important for our fundamental understanding of superconductivity in correlated materials. Here we compute the dynamical magnetic susceptibility in the presence of a pair-density-wave ordered state and study its fingerprints on the spin-wave spectrum including the neutron resonance. In contrast to the standard case of d -wave superconductivity, we show that the pair-density-wave phase exhibits neither a spin gap nor a magnetic resonance peak, in agreement with a recent neutron scattering experiment on underdoped La1.905 Ba0.095 CuO4 [Z. Xu et al., Phys. Rev. Lett. 113, 177002 (2014)].

The role of shock waves in the formation of organic compounds in the primeval atmosphere.

NASA Technical Reports Server (NTRS)

Hochstim, A. R.

1971-01-01

It is shown that shock waves from micrometeorites, meteors, meteorites, and thunder are of interest from the viewpoint of contributing significantly to the total accumulation of organic compounds in primeval times. The multitude of recombination reactions occurring in connection with shock waves could be an important factor in the formation of more complex compounds. Lower bound kinetic energies available to micrometeorites, cometary meteorites, stony and iron meteorites are calculated.

Dualism of the 5f electrons of the ferromagnetic superconductor UGe2 as seen in magnetic, transport, and specific-heat data

NASA Astrophysics Data System (ADS)

Troć, R.; Gajek, Z.; Pikul, A.

2012-12-01

Single-crystalline UGe2 was investigated by means of magnetic susceptibility, magnetization, electrical resistivity, magnetoresistivity, and specific-heat measurements, all carried out in wide temperature and magnetic-field ranges. An analysis of the obtained data points out the dual behavior of the 5f electrons in this compound, i.e., possessing simultaneously local and itinerant characters in two substates. The magnetic and thermal characteristics of the compound were modeled using the effective crystal field (CF) in the intermediate coupling scheme and initial parameters obtained in the angular overlap model. Various configurations of the localized 5fn (n = 1, 2, and 3) electrons on the uranium ion have been probed. The best results were obtained for the 5f2 (U4+) configuration. The CF parameters obtained in the paramagnetic region allowed us to reproduce satisfactorily the experimental findings in the whole temperature range including also the magnitude of the ordered magnetic moment of uranium at low temperature. The electrical resistivity data after subtraction of the phonon contribution reveal the presence of a Kondo-like interaction in UGe2 supporting the idea of partial localization of the 5f electrons in UGe2. On the other hand, magnetoresistivity and an excess of specific heat originated from the hybridized (itinerant) part of 5f states, apparent around the characteristic temperature T*, give a distinct signature for the presence of the coupled charge-density wave and spin-density wave fluctuations over all the ferromagnetic region with a maximum at T*, postulated earlier in the literature.

REVIEWS OF TOPICAL PROBLEMS: The modern view of the nature of the spiral structure of galaxies

NASA Astrophysics Data System (ADS)

Efremov, Yurii N.; Korchagin, V. I.; Marochnik, L. S.; Suchkov, A. A.

1989-04-01

The current state of the Lin-Shu density wave theory is discussed in the light of modern observational data. Much attention is paid to the problem of wave excitation and to the response of the interstellar gas to the wave gravitational potential. It is noted that the major predictions of the density wave theory—the galactic shock waves, the spiral velocity field of stars, and the age gradient across the spiral arms—have become fundamental observational facts at present, so that the density wave theory now has no competition from alternative theories. The nature of flocculent spirals is also discussed since, unlike regular spirals, they are probably not connected with density waves but with the effects of induced star formation in differentially rotating galactic disks.

Density waves in granular flow

NASA Astrophysics Data System (ADS)

Herrmann, H. J.; Flekkøy, E.; Nagel, K.; Peng, G.; Ristow, G.

Ample experimental evidence has shown the existence of spontaneous density waves in granular material flowing through pipes or hoppers. Using Molecular Dynamics Simulations we show that several types of waves exist and find that these density fluctuations follow a 1/f spectrum. We compare this behaviour to deterministic one-dimensional traffic models. If positions and velocities are continuous variables the model shows self-organized criticality driven by the slowest car. We also present Lattice Gas and Boltzmann Lattice Models which reproduce the experimentally observed effects. Density waves are spontaneously generated when the viscosity has a nonlinear dependence on density which characterizes granular flow.

Time-frequency energy density precipitation method for time-of-flight extraction of narrowband Lamb wave detection signals

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

Zhang, Y., E-mail: thuzhangyu@foxmail.com; Huang, S. L., E-mail: huangsling@tsinghua.edu.cn; Wang, S.

The time-of-flight of the Lamb wave provides an important basis for defect evaluation in metal plates and is the input signal for Lamb wave tomographic imaging. However, the time-of-flight can be difficult to acquire because of the Lamb wave dispersion characteristics. This work proposes a time-frequency energy density precipitation method to accurately extract the time-of-flight of narrowband Lamb wave detection signals in metal plates. In the proposed method, a discrete short-time Fourier transform is performed on the narrowband Lamb wave detection signals to obtain the corresponding discrete time-frequency energy density distribution. The energy density values at the center frequency formore » all discrete time points are then calculated by linear interpolation. Next, the time-domain energy density curve focused on that center frequency is precipitated by least squares fitting of the calculated energy density values. Finally, the peak times of the energy density curve obtained relative to the initial pulse signal are extracted as the time-of-flight for the narrowband Lamb wave detection signals. An experimental platform is established for time-of-flight extraction of narrowband Lamb wave detection signals, and sensitivity analysis of the proposed time-frequency energy density precipitation method is performed in terms of propagation distance, dispersion characteristics, center frequency, and plate thickness. For comparison, the widely used Hilbert–Huang transform method is also implemented for time-of-flight extraction. The results show that the time-frequency energy density precipitation method can accurately extract the time-of-flight with relative error of <1% and thus can act as a universal time-of-flight extraction method for narrowband Lamb wave detection signals.« less

Time-frequency energy density precipitation method for time-of-flight extraction of narrowband Lamb wave detection signals.

PubMed

Zhang, Y; Huang, S L; Wang, S; Zhao, W

2016-05-01

The time-of-flight of the Lamb wave provides an important basis for defect evaluation in metal plates and is the input signal for Lamb wave tomographic imaging. However, the time-of-flight can be difficult to acquire because of the Lamb wave dispersion characteristics. This work proposes a time-frequency energy density precipitation method to accurately extract the time-of-flight of narrowband Lamb wave detection signals in metal plates. In the proposed method, a discrete short-time Fourier transform is performed on the narrowband Lamb wave detection signals to obtain the corresponding discrete time-frequency energy density distribution. The energy density values at the center frequency for all discrete time points are then calculated by linear interpolation. Next, the time-domain energy density curve focused on that center frequency is precipitated by least squares fitting of the calculated energy density values. Finally, the peak times of the energy density curve obtained relative to the initial pulse signal are extracted as the time-of-flight for the narrowband Lamb wave detection signals. An experimental platform is established for time-of-flight extraction of narrowband Lamb wave detection signals, and sensitivity analysis of the proposed time-frequency energy density precipitation method is performed in terms of propagation distance, dispersion characteristics, center frequency, and plate thickness. For comparison, the widely used Hilbert-Huang transform method is also implemented for time-of-flight extraction. The results show that the time-frequency energy density precipitation method can accurately extract the time-of-flight with relative error of <1% and thus can act as a universal time-of-flight extraction method for narrowband Lamb wave detection signals.

Prestack density inversion using the Fatti equation constrained by the P- and S-wave impedance and density

NASA Astrophysics Data System (ADS)

Liang, Li-Feng; Zhang, Hong-Bing; Dan, Zhi-Wei; Xu, Zi-Qiang; Liu, Xiu-Juan; Cao, Cheng-Hao

2017-03-01

Simultaneous prestack inversion is based on the modified Fatti equation and uses the ratio of the P- and S-wave velocity as constraints. We use the relation of P-wave impedance and density (PID) and S-wave impedance and density (SID) to replace the constant Vp/Vs constraint, and we propose the improved constrained Fatti equation to overcome the effect of P-wave impedance on density. We compare the sensitivity of both methods using numerical simulations and conclude that the density inversion sensitivity improves when using the proposed method. In addition, the random conjugate-gradient method is used in the inversion because it is fast and produces global solutions. The use of synthetic and field data suggests that the proposed inversion method is effective in conventional and nonconventional lithologies.

Transition from Propagating Polariton Solitons to a Standing Wave Condensate Induced by Interactions

NASA Astrophysics Data System (ADS)

Sich, M.; Chana, J. K.; Egorov, O. A.; Sigurdsson, H.; Shelykh, I. A.; Skryabin, D. V.; Walker, P. M.; Clarke, E.; Royall, B.; Skolnick, M. S.; Krizhanovskii, D. N.

2018-04-01

We explore phase transitions of polariton wave packets, first, to a soliton and then to a standing wave polariton condensate in a multimode microwire system, mediated by nonlinear polariton interactions. At low excitation density, we observe ballistic propagation of the multimode polariton wave packets arising from the interference between different transverse modes. With increasing excitation density, the wave packets transform into single-mode bright solitons due to effects of both intermodal and intramodal polariton-polariton scattering. Further increase of the excitation density increases thermalization speed, leading to relaxation of the polariton density from a solitonic spectrum distribution in momentum space down to low momenta, with the resultant formation of a nonequilibrium condensate manifested by a standing wave pattern across the whole sample.

Transition from Propagating Polariton Solitons to a Standing Wave Condensate Induced by Interactions.

PubMed

Sich, M; Chana, J K; Egorov, O A; Sigurdsson, H; Shelykh, I A; Skryabin, D V; Walker, P M; Clarke, E; Royall, B; Skolnick, M S; Krizhanovskii, D N

2018-04-20

We explore phase transitions of polariton wave packets, first, to a soliton and then to a standing wave polariton condensate in a multimode microwire system, mediated by nonlinear polariton interactions. At low excitation density, we observe ballistic propagation of the multimode polariton wave packets arising from the interference between different transverse modes. With increasing excitation density, the wave packets transform into single-mode bright solitons due to effects of both intermodal and intramodal polariton-polariton scattering. Further increase of the excitation density increases thermalization speed, leading to relaxation of the polariton density from a solitonic spectrum distribution in momentum space down to low momenta, with the resultant formation of a nonequilibrium condensate manifested by a standing wave pattern across the whole sample.

The non-Gaussian joint probability density function of slope and elevation for a nonlinear gravity wave field. [in ocean surface

NASA Technical Reports Server (NTRS)

Huang, N. E.; Long, S. R.; Bliven, L. F.; Tung, C.-C.

1984-01-01

On the basis of the mapping method developed by Huang et al. (1983), an analytic expression for the non-Gaussian joint probability density function of slope and elevation for nonlinear gravity waves is derived. Various conditional and marginal density functions are also obtained through the joint density function. The analytic results are compared with a series of carefully controlled laboratory observations, and good agreement is noted. Furthermore, the laboratory wind wave field observations indicate that the capillary or capillary-gravity waves may not be the dominant components in determining the total roughness of the wave field. Thus, the analytic results, though derived specifically for the gravity waves, may have more general applications.

Particle simulation of electromagnetic emissions from electrostatic instability driven by an electron ring beam on the density gradient

NASA Astrophysics Data System (ADS)

Horký, Miroslav; Omura, Yoshiharu; Santolík, Ondřej

2018-04-01

This paper presents the wave mode conversion between electrostatic and electromagnetic waves on the plasma density gradient. We use 2-D electromagnetic code KEMPO2 implemented with the generation of density gradient to simulate such a conversion process. In the dense region, we use ring beam instability to generate electron Bernstein waves and we study the temporal evolution of wave spectra, velocity distributions, Poynting flux, and electric and magnetic energies to observe the wave mode conversion. Such a conversion process can be a source of electromagnetic emissions which are routinely measured by spacecraft on the plasmapause density gradient.

Nano-scale Stripe Structures on FeTe Observed by Low-temperature STM/STS

NASA Astrophysics Data System (ADS)

Sugimoto, A.; Ukita, R.; Ekino, T.

We have investigated the nano-scale stripe structures on a parent compound of the iron chalcogenide superconductor Fe1+dTe (d=0.033) by using low-temperature scanning tunneling microscopy (STM). The STM topographies and the dI/dV maps show clear stripe structures with the period of twice as large as the Te-Te atomic displacement (~0.76 nm = 2a0, a0 is lattice constant), in addition to weak modulation with the same period of lattice constant (~0.38 nm). The bias-voltage dependence of both STM topographies and dI/dV maps show the several kinds of the stripe structures. The 2a0 modulations are similar to the bicollinear spin order of the parent compound FeTe, indicating the possibility of the coupling with spin density wave and electronic structures.

First-principles prediction of Si-doped Fe carbide as one of the possible constituents of Earth's inner core

NASA Astrophysics Data System (ADS)

Das, Tilak; Chatterjee, Swastika; Ghosh, Sujoy; Saha-Dasgupta, Tanusri

2017-09-01

We perform a computational study based on first-principles calculations to investigate the relative stability and elastic properties of the doped and undoped Fe carbide compounds at 200-364 GPa. We find that upon doping a few weight percent of Si impurities at the carbon sites in Fe7C3 carbide phases, the values of Poisson's ratio and density increase while VP, and VS decrease compared to their undoped counterparts. This leads to marked improvement in the agreement of seismic parameters such as P wave and S wave velocity, Poisson's ratio, and density with the Preliminary Reference Earth Model (PREM) data. The agreement with PREM data is found to be better for the orthorhombic phase of iron carbide (o-Fe7C3) compared to hexagonal phase (h-Fe7C3). Our theoretical analysis indicates that Fe carbide containing Si impurities can be a possible constituent of the Earth's inner core. Since the density of undoped Fe7C3 is low compared to that of inner core, as discussed in a recent theoretical study, our proposal of Si-doped Fe7C3 can provide an alternative solution as an important component of the Earth's inner core.

Importance of Relativistic Effects and Electron Correlation in Structure Factors and Electron Density of Diphenyl Mercury and Triphenyl Bismuth.

PubMed

Bučinský, Lukáš; Jayatilaka, Dylan; Grabowsky, Simon

2016-08-25

This study investigates the possibility of detecting relativistic effects and electron correlation in single-crystal X-ray diffraction experiments using the examples of diphenyl mercury (HgPh2) and triphenyl bismuth (BiPh3). In detail, the importance of electron correlation (ECORR), relativistic effects (REL) [distinguishing between total, scalar and spin-orbit (SO) coupling relativistic effects] and picture change error (PCE) on the theoretical electron density, its topology and its Laplacian using infinite order two component (IOTC) wave functions is discussed. This is to develop an understanding of the order of magnitude and shape of these different effects as they manifest in the electron density. Subsequently, the same effects are considered for the theoretical structure factors. It becomes clear that SO and PCE are negligible, but ECORR and scalar REL are important in low- and medium-order reflections on absolute and relative scales-not in the high-order region. As a further step, Hirshfeld atom refinement (HAR) and subsequent X-ray constrained wavefunction (XCW) fitting have been performed for the compound HgPh2 with various relativistic and nonrelativistic wave functions against the experimental structure factors. IOTC calculations of theoretical structure factors and relativistic HAR as well as relativistic XCW fitting are presented for the first time, accounting for both scalar and spin-orbit relativistic effects.

Comparative thermodynamic properties, vibrational spectral studies, NBO and HOMO-LUMO analyses of 3-chloro-2,4,5,6-tetrafluoropyridine and 4-bromo-2,3,5,6-tetrafluoropyridine based on density functional theory.

PubMed

Selvarani, C; Balachandran, V; Vishwanathan, K

2014-11-11

Quantum mechanical calculations of energies, geometries and vibrational wave numbers of 3-chloro-2,4,5,6-tetrafluoropyridine and 4-bromo-2,3,5,6-tetrafluoropyridine have been performed by DFT level of theory using B3LYP/6-31+G(d) and B3LYP/6-311++G(d,p) as basis sets. The optimized geometrical parameters obtained by B3LYP method show good agreement with experimental data. The difference between the observed and scaled wave number values of most of the fundamentals is very small. A detailed interpretation of the FT-IR and FT-Raman spectra of 3-chloro-2,4,5,6-tetrafluoropyridine and 4-bromo-2,3,5,6-tetrafluoropyridine were also reported. Molecular stability and bond strength were investigated by applying the natural bond orbital analysis (NBO). The calculated HOMO and LUMO energies show that charge transfer occurs in the molecules. Information about the size, shape, charge density distribution, and site of chemical reactivity of the molecules has been obtained by mapping electron density isosurface with electrostatic potential (ESP). Thermodynamic properties (heat capacity, entropy and enthalpy and Gibb's free energy) of the title compounds at different temperatures were calculated. Copyright © 2014 Elsevier B.V. All rights reserved.

Pressure dependence of the optical properties of the charge-density-wave compound LaTe2

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

Lavagnini, M.; Sacchetti, A.; Degiorgi, L.

2009-12-14

We report the pressure dependence of the optical response of LaTe{sub 2}, which is deep in the charge-density-wave (CDW) ground state even at 300 K. The reflectivity spectrum is collected in the mid-infrared spectral range at room temperature and at pressures between 0 and 7 GPa. We extract the energy scale due to the single particle excitation across the CDW gap and the Drude weight. We establish that the gap decreases upon compressing the lattice, while the Drude weight increases. This signals a reduction in the quality of nesting upon applying pressure, therefore inducing a lesser impact of the CDWmore » condensate on the electronic properties of LaTe{sub 2}. The consequent suppression of the CDW gap leads to a release of additional charge carriers, manifested by the shift of weight from the gap feature into the metallic component of the optical response. On the contrary, the power-law behavior, seen in the optical conductivity at energies above the gap excitation and indicating a weakly interacting limit within the Tomonaga-Luttinger liquid scenario, seems to be only moderately dependent on pressure.« less

Laboratory Characterization of Talley Brick

DTIC Science & Technology

2011-08-01

specimen’s wet, bulk, or “as-tested” density. Results from these determinations are provided in Table 1. Measurements of posttest water content1...ASTM 2005d). Based on the appropriate values of posttest water content, wet density, and an assumed grain density of 2.89 Mg/m3, values of dry... Posttest Axial P Radial P Axial S Radial S Wet Water Dry Degree of ’Wave ’Wave ’Wave \\Vave Test Density Conte-nt, Density, Porosity, Saturation

Self-injection of electrons in a laser-wakefield accelerator by using longitudinal density ripple

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

Dahiya, Deepak; Sharma, A. K.; Sajal, Vivek

By introducing a longitudinal density ripple (periodic modulation in background plasma density), we demonstrate self-injection of electrons in a laser-wakefield accelerator. The wakefield driven plasma wave, in presence of density ripple excites two side band waves of same frequency but different wave numbers. One of these side bands, having smaller phase velocity compared to wakefield driven plasma wave, preaccelerates the background plasma electrons. Significant number of these preaccelerated electrons get trapped in the laser-wakefield and further accelerated to higher energies.

The role of density discontinuity in the inviscid instability of two-phase parallel flows

NASA Astrophysics Data System (ADS)

Behzad, M.; Ashgriz, N.

2014-02-01

We re-examine the inviscid instability of two-phase parallel flows with piecewise linear velocity profiles. Although such configuration has been theoretically investigated, we employ the concept of waves resonance to physically interpret the instability mechanism as well as the essential role of density discontinuity in the flow. Upon performing linear stability analysis, we demonstrate the existence of neutrally stable "density" and "density-vorticity" waves which are emerged due to the density jump in the flow, in addition to the well-known vorticity waves. Such waves are capable of resonating with each other to form unstable modes in the flow. Although unstable modes in this study are classified as the "shear instability" type, we demonstrate that they are not necessarily of the Rayleigh type. The results also show that the density can have both stabilizing and destabilizing effects on the flow stability. We verify that the difference in the resonating pair of neutral waves leads to such distinct behavior of the density variation.

Alfven resonance mode conversion in the Phaedrus-T current drive experiments: Modelling and density fluctuations measurements

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

Vukovic, M.; Harper, M.; Breun, R.

1995-12-31

Current drive experiments on the Phaedrus-T tokamak performed with a low field side two-strap fast wave antenna at frequencies below {omega}{sub cH} show loop volt drops of up to 30% with strap phasing (0, {pi}/2). RF induced density fluctuations in the plasma core have also been observed with a microwave reflectometer. It is believed that they are caused by kinetic Alfven waves generated by mode conversion of fast waves at the Alfven resonance. Correlation of the observed density fluctuations with the magnitude of the {Delta}V{sub loop} suggest that the {Delta}V{sub loop} is attributable to current drive/heating due to mode convertedmore » kinetic Alfven waves. The toroidal cold plasma wave code LION is used to model the Alfven resonance mode conversion surfaces in the experiments while the cylindrical hot plasma kinetic wave code ISMENE is used to model the behavior of kinetic Alfven waves at the Alfven resonance location. Initial results obtained from limited density, magnetic field, antenna phase, and impurity scans show good agreement between the RF induced density fluctuations and the predicted behavior of the kinetic Alfven waves. Detailed comparisons between the density fluctuations and the code predictions are presented.« less

Wave energy analysis based on simulation wave data in the China Sea

NASA Astrophysics Data System (ADS)

Gao, Zhan-sheng; Qian, Yu-hao; Sui, Yu-wei; Chen, Xuan; Zhang, Da

2018-05-01

In the current world, where human beings are severely plagued by environmental problems and energy crisis, the full and reasonable utilization of marine new energy resources will contribute to alleviating the energy crisis, contributing to global energy-saving, emission reduction and environmental protection, thus to promote sustainable development. In this study, we firstly simulated a 10-year (1991-2000) 6-hourly wave data of the China Sea, by using the Simulating WAves Nearshore (SWAN) wave model nested with WAVEWATCH-III (WW3) wave model forced with Cross-Calibrated, Multi-Platform (CCMP) wind data. Considering the value size and stability of the wave energy density, we analyzed the overall characteristics of the China Sea wave energy with using the simulation wave data. Results show that: (1) The wave energy density in January and October is distinctly higher than that in April and July. The large center of annual average Wave energy density is located in the north of the South China Sea (of about 12-16 kW/m). (2) Synthetically considering the value size and stability of the wave energy density and stability, the energy-rich area is found to be located in the north region of the South China Sea.

Estimating the densities of benzene-derived explosives using atomic volumes.

PubMed

Ghule, Vikas D; Nirwan, Ayushi; Devi, Alka

2018-02-09

The application of average atomic volumes to predict the crystal densities of benzene-derived energetic compounds of general formula C a H b N c O d is presented, along with the reliability of this method. The densities of 119 neutral nitrobenzenes, energetic salts, and cocrystals with diverse compositions were estimated and compared with experimental data. Of the 74 nitrobenzenes for which direct comparisons could be made, the % error in the estimated density was within 0-3% for 54 compounds, 3-5% for 12 compounds, and 5-8% for the remaining 8 compounds. Among 45 energetic salts and cocrystals, the % error in the estimated density was within 0-3% for 25 compounds, 3-5% for 13 compounds, and 5-7.4% for 7 compounds. The absolute error surpassed 0.05 g/cm 3 for 27 of the 119 compounds (22%). The largest errors occurred for compounds containing fused rings and for compounds with three -NH 2 or -OH groups. Overall, the present approach for estimating the densities of benzene-derived explosives with different functional groups was found to be reliable. Graphical abstract Application and reliability of average atom volume in the crystal density prediction of energetic compounds containing benzene ring.

Ion neutral mass spectrometer results from the first flyby of Titan.

PubMed

Waite, J Hunter; Niemann, Hasso; Yelle, Roger V; Kasprzak, Wayne T; Cravens, Thomas E; Luhmann, Janet G; McNutt, Ralph L; Ip, Wing-Huen; Gell, David; De La Haye, Virginie; Müller-Wordag, Ingo; Magee, Brian; Borggren, Nathan; Ledvina, Steve; Fletcher, Greg; Walter, Erin; Miller, Ryan; Scherer, Stefan; Thorpe, Rob; Xu, Jing; Block, Bruce; Arnett, Ken

2005-05-13

The Cassini Ion Neutral Mass Spectrometer (INMS) has obtained the first in situ composition measurements of the neutral densities of molecular nitrogen, methane, molecular hydrogen, argon, and a host of stable carbon-nitrile compounds in Titan's upper atmosphere. INMS in situ mass spectrometry has also provided evidence for atmospheric waves in the upper atmosphere and the first direct measurements of isotopes of nitrogen, carbon, and argon, which reveal interesting clues about the evolution of the atmosphere. The bulk composition and thermal structure of the moon's upper atmosphere do not appear to have changed considerably since the Voyager 1 flyby.

Observation of helicon wave with m = 0 antenna in a weakly magnetized inductively coupled plasma source

NASA Astrophysics Data System (ADS)

Ellingboe, Bert; Sirse, Nishant; Moloney, Rachel; McCarthy, John

2015-09-01

Bounded whistler wave, called ``helicon wave,'' is known to produce high-density plasmas and has been exploited as a high density plasma source for many applications, including electric propulsion for spacecraft. In a helicon plasma source, an antenna wrapped around the magnetized plasma column launches a low frequency wave, ωce/2 >ωhelicon >ωce/100, in the plasma which is responsible for maintaining high density plasma. Several antenna designs have been proposed in order to match efficiently the wave modes. In our experiment, helicon wave mode is observed using an m = 0 antenna. A floating B dot probe, compensated to the capacitively coupled E field, is employed to measure axial-wave-field-profiles (z, r, and θ components) in the plasma at multiple radial positions as a function of rf power and pressure. The Bθ component of the rf-field is observed to be unaffected as the wave propagates in the axial direction. Power coupling between the antenna and the plasma column is identified and agrees with the E, H, and wave coupling regimes previously seen in M =1 antenna systems. That is, the Bz component of the rf-field is observed at low plasma density as the Bz component from the antenna penetrates the plasma. The Bz component becomes very small at medium density due to shielding at the centre of the plasma column; however, with increasing density, a sudden ``jump'' occurs in the Bz component above which a standing wave under the antenna with a propagating wave away from the antenna are observed.

Blast-wave density measurements

NASA Astrophysics Data System (ADS)

Ritzel, D. V.

Applications of a densitometer to obtain time-resolved data on the total density in blast-wave flows are described. A beta-source (promethium-147) is separated by a gap from a scintillator and a photomultiplier tube (PMT). Attenuation of the radiation beam by the passing blast wave is due to the total density in the gap volume during the wave passage. Signal conditioning and filtering methods permit the system to output linearized data. Results are provided from use of the system to monitor blast waves emitted by detonation of a 10.7 m diameter fiberglass sphere containing 609 tons of ammonium nitrate/fuel oil at a 50.6 m height. Blast wave density data are provided for peak overpressure levels of 245, 172 and 70 kPa and distances of 183, 201 and 314 m from ground zero. Data resolution was of high enough quality to encourage efforts to discriminate dust and gasdynamic phenomena within passing blast waves.

Lower hybrid wave phenomena associated with density depletions

NASA Technical Reports Server (NTRS)

Seyler, C. E.

1994-01-01

A fluid description of lower hybrid, whistler and magnetosonic waves is applied to study wave phenomena near the lower hybrid resonance associated with plasma density depletions. The goal is to understand the nature of lower hybrid cavitons and spikelets often associated with transverse ion acceleration events in the auroral ionosphere. Three-dimensional simulations show the ponderomotive force leads to the formation of a density cavity (caviton) in which lower hybrid wave energy is concentrated (spikelet) resulting in a three-dimensional collapse of the configuration. Plasma density depletions of the order of a few percent are shown to greatly modify the homogeneous linear properties of lower hybrid waves and account for many of the observed features of lower hybrid spikelets.

Theory of spiral structure.

NASA Technical Reports Server (NTRS)

Lin, C. C.

1971-01-01

The question whether the galactic spiral arms are material objects or wave patterns is discussed. A semiempirical approach is adopted in presenting the concept of density waves. The theory of density waves is considered, giving attention to a survey of theoretical developments by analytical methods, the implication of a spiral pattern of density waves, spirals with moderately small pitch angle, and the origin and permanence of galactic spirals. The theoretical aspects discussed are tested against more detailed observations in the Milky Way system. It is pointed out that the density wave concept introduced by Lindblad, including the material concentration of both gas and stars, is the essential basis for the spiral structure of disk-shaped galaxies.

Cassini RSS occultation observations of density waves in Saturn's rings

NASA Astrophysics Data System (ADS)

McGhee, C. A.; French, R. G.; Marouf, E. A.; Rappaport, N. J.; Schinder, P. J.; Anabtawi, A.; Asmar, S.; Barbinis, E.; Fleischman, D.; Goltz, G.; Johnston, D.; Rochblatt, D.

2005-08-01

On May 3, 2005, the first of a series of eight nearly diametric occultations by Saturn's rings and atmosphere took place, observed by the Cassini Radio Science (RSS) team. Simultaneous high SNR measurements at the Deep Space Network (DSN) at S, X, and Ka bands (λ = 13, 3.6, and 0.9 cm) have provided a remarkably detailed look at the radial structure and particle scattering behavior of the rings. By virtue of the relatively large ring opening angle (B=-23.6o), the slant path optical depth of the rings was much lower than during the Voyager epoch (B=5.9o), making it possible to detect many density waves and other ring features in the Cassini RSS data that were lost in the noise in the Voyager RSS experiment. Ultimately, diffraction correction of the ring optical depth profiles will yield radial resolution as small as tens of meters for the highest SNR data. At Ka band, the Fresnel scale is only 1--1.5 km, and thus even without diffraction correction, the ring profiles show a stunning array of density waves. The A ring is replete with dozens of Pandora and Prometheus inner Lindblad resonance features, and the Janus 2:1 density wave in the B ring is revealed with exceptional clarity for the first time at radio wavelengths. Weaker waves are abundant as well, and multiple occultation chords sample a variety of wave phases. We estimate the surface mass density of the rings from linear density wave models of the weaker waves. For stronger waves, non-linear models are required, providing more accurate estimates of the wave dispersion relation, the ring surface mass density, and the angular momentum exchange between the rings and satellite. We thank the DSN staff for their superb support of these complex observations.

A numerical study of shock wave reflections on low density foam

NASA Astrophysics Data System (ADS)

Baer, M. R.

1992-06-01

A continuum mixture theory is used to describe shock wave reflections on low density open-cell polyurethane foam. Numerical simulations are compared to the shock tube experiments of Skews (1991) and detailed wave fields are shown of a shock wave interacting with a layer of foam adjacent to a rigid wall boundary. These comparisons demonstrate that a continuum mixture theory describes well the shock interactions with low density foam.

Gravity waves

NASA Technical Reports Server (NTRS)

Fritts, David

1987-01-01

Gravity waves contributed to the establishment of the thermal structure, small scale (80 to 100 km) fluctuations in velocity (50 to 80 m/sec) and density (20 to 30%, 0 to peak). Dominant gravity wave spectrum in the middle atmosphere: x-scale, less than 100 km; z-scale, greater than 10 km; t-scale, less than 2 hr. Theorists are beginning to understand middle atmosphere motions. There are two classes: Planetary waves and equatorial motions, gravity waves and tidal motions. The former give rise to variability at large scales, which may alter apparent mean structure. Effects include density and velocity fluctuations, induced mean motions, and stratospheric warmings which lead to the breakup of the polar vortex and cooling of the mesosphere. On this scale are also equatorial quasi-biennial and semi-annual oscillations. Gravity wave and tidal motions produce large rms fluctuations in density and velocity. The magnitude of the density fluctuations compared to the mean density is of the order of the vertical wavelength, which grows with height. Relative density fluctuations are less than, or of the order of 30% below the mesopause. Such motions may cause significant and variable convection, and wind shear. There is a strong seasonal variation in gravity wave amplitude. Additional observations are needed to address and quantify mean and fluctuation statistics of both density and mean velocity, variability of the mean and fluctuations, and to identify dominant gravity wave scales and sources as well as causes of variability, both temporal and geographic.

Full-Potential Calculation of Structural, Electronic, and Thermodynamic Properties of Fluoroperovskite { CsMF}3 (M = Be and Mg)

NASA Astrophysics Data System (ADS)

Harmel, M.; Khachai, H.; Ameri, A.; Baki, N.; Haddou, A.; Khalfa, M.; Abbar, B.; Omran, S. Bin; Uğur, G.; Uğur, Ş.; Khenata, R.

2012-12-01

The structural and electronic properties of the cubic fluoroperoveskite { CsBeF}3 and { CsMgF}3 have been investigated using the full-potential-linearized augmented plane wave method within the density functional theory. The exchange-correlation potential was treated with the local density approximation and the generalized gradient approximation. The calculations of the electronic band structures show that { CsBeF}_{3 } has an indirect bandgap, whereas { CsMgF}3 has a direct bandgap. Through the quasi-harmonic Debye model, in which the phononic effects are considered, the effect of pressure P and temperature T on the lattice parameter, bulk modulus, thermal expansion coefficient, Debye temperature, and the heat capacity for { CsBeF}3 and { CsMgF}3 compounds are investigated for the first time.

Hydrodynamic electronic fluid instability in GaAs MESFETs at terahertz frequencies

NASA Astrophysics Data System (ADS)

Li, Kang; Hao, Yue; Jin, Xiaoqi; Lu, Wu

2018-01-01

III-V compound semiconductor field effect transistors (FETs) are potential candidates as solid state THz emitters and detectors due to plasma wave instability in these devices. Using a 2D hydrodynamic model, here we present the numerical studies of electron fluid instability in a FET structure. The model is implemented in a GaAs MESFET structure with a gate length of 0.2 µm as a testbed by taking into account the non-equilibrium transport and multi-valley non-parabolicity energy bands. The results show that the electronic density instability in the channel can produce stable periodic oscillations at THz frequencies. Along with stable oscillations, negative differential resistance in output characteristics is observed. The THz emission energy density increases monotonically with the drain bias. The emission frequency of electron density oscillations can be tuned by both gate and drain biases. The results suggest that III-V FETs can be a kind of versatile THz devices with good tunability on both radiative power and emission frequency.

Barium-strontium-titanate etching characteristics in chlorinated discharges

NASA Astrophysics Data System (ADS)

Stafford, Luc; Margot, Joëlle; Langlois, Olivier; Chaker, Mohamed

2003-07-01

The etching characteristics of barium-strontium-titanate (BST) were investigated using a high-density plasma sustained by surface waves at 190 MHz in Ar/Cl2 gas mixtures. The etch rate was examined as a function of both the total gas pressure and the Cl2 fraction in Ar/Cl2 using a wafer temperature of 10 °C. The results were correlated to positive ion density and plasma composition obtained from Langmuir probes and mass spectrometry. The BST etch rate was found to increase linearly with the positive ion density and to decrease with increasing chlorine atom concentration. This result indicates that for the temperature conditions used, the interaction between chlorine and BST yields compounds having a volatility that is lower than the original material. As a consequence, the contribution of neutral atomic Cl atoms to the etch mechanism is detrimental, thereby reducing the etch rate. As the wafer temperature increases, the role of chemistry in the etching process is enhanced.

Axisymmetric Density Waves in Saturn's Rings

NASA Astrophysics Data System (ADS)

Hedman, Matthew; Nicholson, Philip

2018-04-01

Density waves in Saturn's rings are typically tightly wrapped spiral patterns generated by resonances with either Saturn's moons or structures inside the planet. However, between the Barnard and Bessel Gaps in the Cassini Division (i.e. between 120,240 and 120,300 km), there are density variations that appear to form an axisymmetric density wave, which consists of concentric regions of varying density that propagate radially through the rings. Such a wave requires some process that forces ring particles at all longitudes to pass through pericenter at the same time, and so cannot be generated by satellite resonances. Instead this particular wave appears to be excited by interference between a nearby satellite resonance and normal mode oscillations on the inner edge of the Barnard Gap. Similar axisymmetric waves may exist within the Dawes ringlet and the outermost part of the B ring, which are also just interior to resonantly confined edges that exhibit a large number of normal modes. These waves may therefore provide new insights into how resonant perturbations near an edge can propagate through a disk of material.

Synthesis, spectroscopic investigations (FT-IR, NMR, UV-Vis, and TD-DFT), and molecular docking of (E)-1-(benzo[d][1, 3]dioxol-6-yl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one

NASA Astrophysics Data System (ADS)

Therasa Alphonsa, A.; Loganathan, C.; Athavan Alias Anand, S.; Kabilan, S.

2017-02-01

The compound (E)-1-(benzo [d] [1, 3] dioxol-6-yl)-3-(6-methoxy naphthalen-2-yl) prop-2-en-1-one (AKN) was synthesized and characterized by FT-IR, NMR, and UV-Vis spectrometer. The optimized molecular geometry, bond lengths, bond angles, atomic charges, harmonic vibrational wave numbers and intensities of vibrational bonds of the title compound have been investigated by Time dependent- Density Functional Theory (TD-DFT) using a standard B3LYP method with 6-31 G (d, p) basis set available in the Gaussian 09W package. 1H and 13C NMR chemical shifts of the molecule were calculated using Gauge-independent atomic orbital method (GIAO). Experimental excitation energies of the molecules were matched with the theoretically calculated energies. The atomic charge distributions of the various atoms present in the AKN were obtained by Mulliken charge population analysis. The Molecular Electrostatic Potential (MEP) analysis reveals the sites for electrophilic attack and nucleophilic reactions in the molecule. The difference between the observed and scaled frequencies was small. The HOMO to LUMO transition implies an electron density transfer. The intramolecular contacts have been interpreted using Natural Bond Orbital (NBO) analysis. The calculation results were applied to simulate spectra of the title compound, which show excellent agreement with observed spectra. To provide information about the interactions between human cytochrome protein and the novel compound theoretically, docking studies were carried out using Schrödinger software.

125Te NMR shielding and optoelectronic spectra in XTe3O8 (X = Ti, Zr, Sn and Hf) compounds: Ab initio calculations

NASA Astrophysics Data System (ADS)

Bashi, M.; Rahnamaye Aliabad, H. A.; Mowlavi, A. A.; Ahmad, Iftikhar

2017-11-01

We have calculated the NMR shielding, structural properties and optoelectronic spectra of XTe3O8 (X = Ti, Zr, Sn and Hf) compounds. The full potential linearized augmented plane wave (FP-LAPW) method and the modified Becke-Johnson (mBJ) are used by density functional theory schemes. The calculated shielding and measured shifts are arranged in a straight line and the tensors of magnetic shielding have a low symmetry and the shielding along the x direction is greater than the y and z directions. Obtained results show that the X ions have the most important influence on the 125Te chemical shift. Calculated chemical shielding components (σii) decrease from Ti to Sn then increases from Sn to Hf so that these behaviors are vice versa for 125Te isotropic chemical shift (δiso). Density of states spectra show that the X-p and d states play key role in the optical and NMR calculations. Optical results illustrate that there is a direct relation between the chemical shielding components for Te atom and the static dielectric function, refractive index and Plasmon energies.

Pair density waves in superconducting vortex halos

NASA Astrophysics Data System (ADS)

Wang, Yuxuan; Edkins, Stephen D.; Hamidian, Mohammad H.; Davis, J. C. Séamus; Fradkin, Eduardo; Kivelson, Steven A.

2018-05-01

We analyze the interplay between a d -wave uniform superconducting and a pair-density-wave (PDW) order parameter in the neighborhood of a vortex. We develop a phenomenological nonlinear sigma model, solve the saddle-point equation for the order-parameter configuration, and compute the resulting local density of states in the vortex halo. The intertwining of the two superconducting orders leads to a charge density modulation with the same periodicity as the PDW, which is twice the period of the charge density wave that arises as a second harmonic of the PDW itself. We discuss key features of the charge density modulation that can be directly compared with recent results from scanning tunneling microscopy and speculate on the role PDW order may play in the global phase diagram of the hole-doped cuprates.

Sensitivity of Rogue Waves Predictions to the Oceanic Stratification

NASA Astrophysics Data System (ADS)

Guo, Qiuchen; Alam, Mohammad-Reza

2014-11-01

Oceanic rogue waves are short-lived very large amplitude waves (a giant crest typically followed or preceded by a deep trough) that appear and disappear suddenly in the ocean causing damages to ships and offshore structures. Assuming that the state of the ocean at the present time is perfectly known, then the upcoming rogue waves can be predicted via numerically solving the equations that govern the evolution of the waves. The state of the art radar technology can now provide accurate wave height measurement over large spatial domains and when combined with advanced wave-field reconstruction techniques together render deterministic details of the current state of the ocean (i.e. surface elevation and velocity field) at any given moment of the time with a very high accuracy. The ocean water density is, however, stratified (mainly due to the salinity and temperature differences). This density stratification, with today's technology, is very difficult to be measured accurately. As a result in most predictive schemes these density variations are neglected. While the overall effect of the stratification on the average state of the ocean may not be significant, here we show that these density variations can strongly affect the prediction of oceanic rogue waves. Specifically, we consider a broadband oceanic spectrum in a two-layer density stratified fluid, and study via extensive statistical analysis the effects of strength of the stratification (difference between densities) and the depth of the thermocline on the prediction of upcoming rogue waves.

Phase mixing of Alfvén waves in axisymmetric non-reflective magnetic plasma configurations

NASA Astrophysics Data System (ADS)

Petrukhin, N. S.; Ruderman, M. S.; Shurgalina, E. G.

2018-02-01

We study damping of phase-mixed Alfvén waves propagating in non-reflective axisymmetric magnetic plasma configurations. We derive the general equation describing the attenuation of the Alfvén wave amplitude. Then we applied the general theory to a particular case with the exponentially divergent magnetic field lines. The condition that the configuration is non-reflective determines the variation of the plasma density along the magnetic field lines. The density profiles exponentially decreasing with the height are not among non-reflective density profiles. However, we managed to find non-reflective profiles that fairly well approximate exponentially decreasing density. We calculate the variation of the total wave energy flux with the height for various values of shear viscosity. We found that to have a substantial amount of wave energy dissipated at the lower corona, one needs to increase shear viscosity by seven orders of magnitude in comparison with the value given by the classical plasma theory. An important result that we obtained is that the efficiency of the wave damping strongly depends on the density variation with the height. The stronger the density decrease, the weaker the wave damping is. On the basis of this result, we suggested a physical explanation of the phenomenon of the enhanced wave damping in equilibrium configurations with exponentially diverging magnetic field lines.

The Mass of Saturn's B ring from hidden density waves

NASA Astrophysics Data System (ADS)

Hedman, M. M.; Nicholson, P. D.

2015-12-01

The B ring is Saturn's brightest and most opaque ring, but many of its fundamental parameters, including its total mass, are not well constrained. Elsewhere in the rings, the best mass density estimates come from spiral waves driven by mean-motion resonances with Saturn's various moons, but such waves have been hard to find in the B ring. We have developed a new wavelet-based technique, for combining data from multiple stellar occultations that allows us to isolate the density wave signals from other ring structures. This method has been applied to 5 density waves using 17 occultations of the star gamma Crucis observed by the Visual and Infrared Mapping Spectrometer (VIMS) onboard the Cassini spacecraft. Two of these waves (generated by the Janus 2:1 and Mimas 5:2 Inner Lindblad Resonances) are visible in individual occultation profiles, but the other three wave signatures ( associated with the Janus 3:2, Enceladus 3:1 and Pandora 3:2 Inner Lindblad Resonances ) are not visible in individual profiles and can only be detected in the combined dataset. Estimates of the ring's surface mass density derived from these five waves fall between 40 and 140 g/cm^2. Surprisingly, these mass density estimates show no obvious correlation with the ring's optical depth. Furthermore, these data indicate that the total mass of the B ring is probably between one-third and two-thirds the mass of Saturn's moon Mimas.

Pulse wave imaging using coherent compounding in a phantom and in vivo

NASA Astrophysics Data System (ADS)

Zacharias Apostolakis, Iason; McGarry, Matthew D. J.; Bunting, Ethan A.; Konofagou, Elisa E.

2017-03-01

Pulse wave velocity (PWV) is a surrogate marker of arterial stiffness linked to cardiovascular morbidity. Pulse wave imaging (PWI) is a technique developed by our group for imaging the pulse wave propagation in vivo. PWI requires high temporal and spatial resolution, which conventional ultrasonic imaging is unable to simultaneously provide. Coherent compounding is known to address this tradeoff and provides full aperture images at high frame rates. This study aims to implement PWI using coherent compounding within a GPU-accelerated framework. The results of the implemented method were validated using a silicone phantom against static mechanical testing. Reproducibility of the measured PWVs was assessed in the right common carotid of six healthy subjects (n  =  6) approximately 10-15 mm before the bifurcation during two cardiac cycles over the course of 1-3 d. Good agreement of the measured PWVs (3.97  ±  1.21 m s-1, 4.08  ±  1.15 m s-1, p  =  0.74) was obtained. The effects of frame rate, transmission angle and number of compounded plane waves on PWI performance were investigated in the six healthy volunteers. Performance metrics such as the reproducibility of the PWVs, the coefficient of determination (r 2), the SNR of the PWI axial wall velocities (\\text{SN}{{\\text{R}}{{\\text{v}_{\\text{PWI}}}}} ) and the percentage of lateral positions where the pulse wave appears to arrive at the same time-point, indicating inadequacy of the temporal resolution (i.e. temporal resolution misses) were used to evaluate the effect of each parameter. Compounding plane waves transmitted at 1° increments with a linear array yielded optimal performance, generating significantly higher r 2 and \\text{SN}{{\\text{R}}{{\\text{v}_{\\text{PWI}}}}} values (p  ⩽  0.05). Higher frame rates (⩾1667 Hz) produced improvements with significant gains in the r 2 coefficient (p  ⩽  0.05) and significant increase in both r 2 and \\text{SN}{{\\text{R}}{{\\text{v}_{\\text{PWI}}}}} from single plane wave imaging to 3-plane wave compounding (p  ⩽  0.05). Optimal performance was established at 2778 Hz with 3 plane waves and at 1667 Hz with 5 plane waves.

Time resolved interferometric study of the plasma plume induced shock wave in confined geometry: Two-dimensional mapping of the ambient and plasma density

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

Choudhury, Kaushik; Singh, R. K.; Kumar, Ajai, E-mail: ajai@ipr.res.in

2016-04-15

An experimental investigation of the laser produced plasma induced shock wave in the presence of confining walls placed along the axial as well as the lateral direction has been performed. A time resolved Mach Zehnder interferometer is set up to track the primary as well as the reflected shock waves and its effect on the evolving plasma plume has been studied. An attempt has been made to discriminate the electronic and medium density contributions towards the changes in the refractive index of the medium. Two dimensional spatial distributions for both ambient medium density and plasma density (electron density) have beenmore » obtained by employing customised inversion technique and algorithm on the recorded interferograms. The observed density pattern of the surrounding medium in the presence of confining walls is correlated with the reflected shock wave propagation in the medium. Further, the shock wave plasma interaction and the subsequent changes in the shape and density of the plasma plume in confined geometry are briefly described.« less

Waves generated in the plasma plume of helicon magnetic nozzle

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

Singh, Nagendra; Rao, Sathyanarayan; Ranganath, Praveen

2013-03-15

Experimental measurements have shown that the plasma plume created in a helicon plasma device contains a conical structure in the plasma density and a U-shaped double layer (US-DL) tightly confined near the throat where plasma begins to expand from the source. Recently reported two-dimensional particle-in-cell simulations verified these density and US-DL features of the plasma plume. Simulations also showed that the plasma in the plume develops non-thermal feature consisting of radial ion beams with large densities near the conical surface of the density structure. The plasma waves that are generated by the radial ion beams affecting the structure of themore » plasma plume are studied here. We find that most intense waves persist in the high-density regions of the conical density structure, where the transversely accelerated ions in the radial electric fields in the plume are reflected setting up counter-streaming. The waves generated are primarily ion Bernstein modes. The nonlinear evolution of the waves leads to magnetic field-aligned striations in the fields and the plasma near the conical surface of the density structure.« less

Is the bulk mode conversion important in high density helicon plasma?

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

Isayama, Shogo; Hada, Tohru; Shinohara, Shunjiro

2016-06-15

In a high-density helicon plasma production process, a contribution of Trivelpiece-Gould (TG) wave for surface power deposition is widely accepted. The TG wave can be excited either due to an abrupt density gradient near the plasma edge (surface conversion) or due to linear mode conversion from the helicon wave in a density gradient in the bulk region (bulk mode conversion). By numerically solving the boundary value problem of linear coupling between the helicon and the TG waves in a background with density gradient, we show that the efficiency of the bulk mode conversion strongly depends on the dissipation included inmore » the plasma, and the bulk mode conversion is important when the dissipation is small. Also, by performing FDTD simulation, we show the time evolution of energy flux associated with the helicon and the TG waves.« less

Observation of a Charge Density Wave Incommensuration Near the Superconducting Dome in Cu x TiSe 2

DOE PAGES

Kogar, A.; de la Pena, G. A.; Lee, Sangjun; ...

2017-01-11

X-ray diffraction was employed to study the evolution of the charge density wave (CDW) in Cu xTiSe 2 as a function of copper intercalation in order to clarify the relationship between the CDW and superconductivity. In this paper, the results show a CDW incommensuration arising at an intercalation value coincident with the onset of superconductivity at around x = 0.055(5) . Additionally, it was found that the charge density wave persists to higher intercalant concentrations than previously assumed, demonstrating that the CDW does not terminate inside the superconducting dome. A charge density wave peak was observed in samples up tomore » x = 0.091(6) , the highest copper concentration examined in this study. Lastly, the phase diagram established in this work suggests that charge density wave incommensuration may play a role in the formation of the superconducting state.« less

Role of modified Becke-Johnson potential in computation of electronic and optical properties of mixed crystals CdxZn1-xSe

NASA Astrophysics Data System (ADS)

Talreja, Sonal; Ahuja, B. L.

2015-08-01

Electronic and optical properties of CdxZn1-xSe (x = 0, 0.25, 0.5, 0.75, 1) compounds are investigated using the first-principles full potential linearized augmented plane wave method. In particular, we have used modified version of the exchange potential of Becke and Johnson, so called mBJ potential. We have discussed the energy bands, density of states, and optical properties such as dielectric constants, refractive indices, reflection spectra, extinction coefficients of all the CdxZn1-xSe compounds. Our mBJ potential based data are found to be in excellent agreement with the available experimental data, which unambiguously validates the applicability of orbital independent exchange-correlation potential in mixed semiconductor crystals. The optical properties are discussed in terms of applicability of Cd-Zn-Se system in light-emitting diodes, UV detectors and filters, etc.

First-principles study of structural stability, electronic, optical and elastic properties of binary intermetallic: PtZr

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

Pagare, Gitanjali, E-mail: gita-pagare@yahoo.co.in; Jain, Ekta, E-mail: jainekta05@gmail.com; Sanyal, S. P., E-mail: sps.physicsbu@gmail.com

2016-05-06

Structural, electronic, optical and elastic properties of PtZr have been studied using the full-potential linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT). The energy against volume and enthalpy vs. pressure variation in three different structures i.e. B{sub 1}, B{sub 2} and B{sub 3} for PtZr has been presented. The equilibrium lattice parameter, bulk modulus and its pressure derivative have been obtained using optimization method for all the three phases. Furthermore, electronic structure was discussed to reveal the metallic character of the present compound. The linear optical properties are also studied under zero pressure for the first time.more » Results on elastic properties are obtained using generalized gradient approximation (GGA) for exchange correlation potentials. Ductile nature of PtZr compound is predicted in accordance with Pugh’s criteria.« less

FP-LAPW study of structural, electronic, elastic, mechanical and thermal properties of AlFe intermetallic

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

Jain, Ekta, E-mail: jainekta05@gmail.com; Pagare, Gitanjali, E-mail: gita-pagare@yahoo.co.in; Sanyal, S. P., E-mail: sps.physicsbu@gmail.com

2016-05-06

The structural, electronic, elastic, mechanical and thermal properties of AlFe intermetallic compound in B{sub 2}-type (CsCl) structure have been investigated using first-principles calculations. The exchange-correlation term was treated within generalized gradient approximation. Ground state properties i.e. lattice constants (a{sub 0}), bulk modulus (B) and first-order pressure derivative of bulk modulus (B’) are presented. The density of states are derived which show the metallic character of present compound. Our results for C{sub 11}, C{sub 12} and C{sub 44} agree well with previous theoretical data. Using Pugh’s criteria (B/G{sub H} < 1.75), brittle character of AlFe is satisfied. In addition shear modulusmore » (G{sub H}), Young’s modulus (E), sound wave velocities and Debye temperature (θ{sub D}) have also been estimated.« less

Magneto-optical spectroscopy of Co{sub 2}FeSi Heusler compound

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

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

2014-05-07

Magneto-optical and electronic properties of the Co{sub 2}FeSi Heusler compound were studied by polar Kerr magneto-optical spectroscopy and ab-initio calculations. The thin-film samples were grown by dc/rf magnetron co-sputtering on MgO(100) substrates. A Cr seed layer was deposited prior to the Co{sub 2}FeSi layer to achieve its epitaxial growth. The magneto-optical spectroscopy was carried out using generalized magneto-optical ellipsometry with rotating analyzer in the photon energy range from 1.4 to 5.5 eV with an applied magnetic field of up to 1.2 T. The polar Kerr spectra showed a smooth spectral behavior up to 5.5 eV indicating nearly free charge carriers. Experimental data weremore » compared with ab-initio calculations based on density functional theory employing the full-potential linearized augmented plane wave method.« less

Theoretical and lidar studies of the density response of the mesospheric sodium layer to gravity wave perturbations

NASA Technical Reports Server (NTRS)

Shelton, J. D.; Gardner, C. S.

1981-01-01

The density response of atmospheric layers to gravity waves is developed in two forms, an exact solution and a perturbation series solution. The degree of nonlinearity in the layer density response is described by the series solution whereas the exact solution gives insight into the nature of the responses. Density perturbation in an atmospheric layer are shown to be substantially greater than the atmospheric density perturbation associated with the propagation of a gravity wave. Because of the density gradients present in atmospheric layers, interesting effects were observed such as a phase reversal in the linear layer response which occurs near the layer peak. Once the layer response is understood, the sodium layer can be used as a tracer of atmospheric wave motions. A two dimensional digital signal processing technique was developed. Both spatial and temporal filtering are utilized to enhance the resolution by decreasing shot noise by more han 10 dB. Many of the features associated with a layer density response to gravity waves were observed in high resolution density profiles of the mesospheric sodium layer. These include nonlinearities as well as the phase reversal in the linear layer response.

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

PubMed

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

2010-11-01

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

Probability function of breaking-limited surface elevation. [wind generated waves of ocean

NASA Technical Reports Server (NTRS)

Tung, C. C.; Huang, N. E.; Yuan, Y.; Long, S. R.

1989-01-01

The effect of wave breaking on the probability function of surface elevation is examined. The surface elevation limited by wave breaking zeta sub b(t) is first related to the original wave elevation zeta(t) and its second derivative. An approximate, second-order, nonlinear, non-Gaussian model for zeta(t) of arbitrary but moderate bandwidth is presented, and an expression for the probability density function zeta sub b(t) is derived. The results show clearly that the effect of wave breaking on the probability density function of surface elevation is to introduce a secondary hump on the positive side of the probability density function, a phenomenon also observed in wind wave tank experiments.

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

Bugaris, Daniel E.; Malliakas, Christos D.; Han, Fei

A new polymorph of the RE 2Ru 3Ge 5 (RE = Pr, Sm, Dy) compounds has been grown as single crystals via an indium flux. These compounds crystallize in tetragonal space group P4/mnc with the Sc 2Fe 3Si 5-type structure, having lattice parameters a = 11.020(2) Å and c = 5.853(1) Å for RE = Pr, a = 10.982(2) Å and c = 5.777(1) Å for RE = Sm, and a = 10.927(2) Å and c = 5.697(1) Å for RE = Dy. These materials exhibit a structural transition at low temperature, which is attributed to an apparent charge densitymore » wave (CDW). Both the high-temperature average crystal structure and the low-temperature incommensurately modulated crystal structure (for Sm 2Ru 3Ge 5 as a representative) have been solved. The charge density wave order is manifested by periodic distortions of the onedimensional zigzag Ge chains. From X-ray diffraction, charge transport (electrical resistivity, Hall effect, magnetoresistance), magnetic measurements, and heat capacity, the ordering temperatures (T CDW) observed in the Pr and Sm analogues are ~200 and ~175 K, respectively. The charge transport measurement results indicate an electronic state transition happening simultaneously with the CDW transition. X-ray absorption near-edge spectroscopy (XANES) and electronic band structure results are also reported.« less

Ultrasonic Imaging in Solids Using Wave Mode Beamforming.

PubMed

di Scalea, Francesco Lanza; Sternini, Simone; Nguyen, Thompson Vu

2017-03-01

This paper discusses some improvements to ultrasonic synthetic imaging in solids with primary applications to nondestructive testing of materials and structures. Specifically, the study proposes new adaptive weights applied to the beamforming array that are based on the physics of the propagating waves, specifically the displacement structure of the propagating longitudinal (L) mode and shear (S) mode that are naturally coexisting in a solid. The wave mode structures can be combined with the wave geometrical spreading to better filter the array (in a matched filter approach) and improve its focusing ability compared to static array weights. This paper also proposes compounding, or summing, images obtained from the different wave modes to further improve the array gain without increasing its physical aperture. The wave mode compounding can be performed either incoherently or coherently, in analogy with compounding multiple frequencies or multiple excitations. Numerical simulations and experimental testing demonstrate the potential improvements obtainable by the wave structure adaptive weights compared to either static weights in conventional delay-and-sum focusing, or adaptive weights based on geometrical spreading alone in minimum-variance distortionless response focusing.

Characteristics of VLF wave propagation in the Earth's magnetosphere in the presence of an artificial density duct

NASA Astrophysics Data System (ADS)

Pasmanik, Dmitry; Demekhov, Andrei

We study the propagation of VLF waves in the Earth's ionosphere and magnetosphere in the presence of large-scale artificial plasma inhomogeneities which can be created by HF heating facilities like HAARP and ``Sura''. A region with enhanced cold plasma density can be formed due to the action of HF heating. This region is extended along geomagnetic field (up to altitudes of several thousand km) and has rather small size across magnetic field (about 1 degree). The geometric-optical approximation is used to study wave propagation. The plasma density and ion composition are calculated with the use of SAMI2 model, which was modified to take the effect of HF heating into account. We calculate ray trajectories of waves with different initial frequency and wave-normal angles and originating at altitudes of about 100 km in the region near the heating area. The source of such waves could be the lightning discharges, modulated HF heating of the ionosphere, or VLF transmitters. Variation of the wave amplitude along the ray trajectories due to refraction is considered and spatial distribution of wave intensity in the magnetosphere is analyzed. We show that the presence of such a density disturbances can lead to significant changes of wave propagation trajectories, in particular, to efficient guiding of VLF waves in this region. This can result in a drastic increase of the VLF-wave intensity in the density duct. The dependence of wave propagation properties on parameters of heating facility operation regime is considered. We study the variation of the spatial distribution of VLF wave intensity related to the slow evolution of the artificial inhomogeneity during the heating.

Lung mass density analysis using deep neural network and lung ultrasound surface wave elastography.

PubMed

Zhou, Boran; Zhang, Xiaoming

2018-05-23

Lung mass density is directly associated with lung pathology. Computed Tomography (CT) evaluates lung pathology using the Hounsfield unit (HU) but not lung density directly. We have developed a lung ultrasound surface wave elastography (LUSWE) technique to measure the surface wave speed of superficial lung tissue. The objective of this study was to develop a method for analyzing lung mass density of superficial lung tissue using a deep neural network (DNN) and synthetic data of wave speed measurements with LUSWE. The synthetic training dataset of surface wave speed, excitation frequency, lung mass density, and viscoelasticity from LUSWE (788,000 in total) was used to train the DNN model. The DNN was composed of 3 hidden layers of 1024 neurons for each layer and trained for 10 epochs with a batch size of 4096 and a learning rate of 0.001 with three types of optimizers. The test dataset (4000) of wave speeds at three excitation frequencies (100, 150, and 200 Hz) and shear elasticity of superficial lung tissue was used to predict the lung density and evaluate its accuracy compared with predefined lung mass densities. This technique was then validated on a sponge phantom experiment. The obtained results showed that predictions matched well with test dataset (validation accuracy is 0.992) and experimental data in the sponge phantom experiment. This method may be useful to analyze lung mass density by using the DNN model together with the surface wave speed and lung stiffness measurements. Copyright © 2018 Elsevier B.V. All rights reserved.

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

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

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

1979-12-01

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

Spatial distribution of the wave field of the surface modes sustaining filamentary discharges

NASA Astrophysics Data System (ADS)

Lishev, St.; Shivarova, A.; Tarnev, Kh.

2008-01-01

The study presents the electrodynamical description of surface-wave-sustained discharges contracted in filamentary structures. The results are for the spatial distribution of the wave field and for the wave propagation characteristics obtained from a two-dimensional model developed for describing surface-wave behavior in plasmas with an arbitrary distribution of the plasma density. In accordance with the experimental observations of filamentary discharges, the plasma density distribution considered is completed by cylindrically shaped gas-discharge channels extended along the discharge length and positioned in the out-of-center region of the discharge, equidistantly in an azimuthal direction. Due to the two-dimensional inhomogeneity of the plasma density of the filamentary structure, the eigen surface mode of the structure is a hybrid wave, with all—six—field components. For identification of its behavior, the surface wave properties in the limiting cases of a plasma ring and a single filament—both radially inhomogeneous—are involved in the discussions. The presentation of the results is for filamentary structures with a decreasing number of filaments (from 10 to 2) starting with the plasma ring, the latter supporting propagation of an azimuthally symmetric wave. Due to the resonance absorption of the surface waves, always present because of the smooth variation of the plasma density, the contours of the critical density are those guiding the surface wave propagation. Decreasing number of filaments in the structure leads to localization of the amplitudes of the wave-field components around the filaments. By analogy with the spatial distribution of the wave field in the plasma ring, the strong resonance enhancement of the wave-field components is along that part of the contour of the critical density which is far off the center of the filamentary structure. The analysis of the spatial distribution of the field components of the filamentary structure shows that the hybrid wave is an eigenmode of the whole structure, i.e., the wave field does not appear as a superposition of fields of eigenmodes of the separated filaments completing it. It is stressed that the spatial distribution of the field components of the eigen hybrid mode of the filamentary structure has an azimuthally symmetric background field.

Localization of ultra-low frequency waves in multi-ion plasmas of the planetary magnetosphere

DOE PAGES

Kim, Eun -Hwa; Johnson, Jay R.; Lee, Dong -Hun

2015-01-01

By adopting a 2D time-dependent wave code, we investigate how mode-converted waves at the Ion-Ion Hybrid (IIH) resonance and compressional waves propagate in 2D density structures with a wide range of field-aligned wavenumbers to background magnetic fields. The simulation results show that the mode-converted waves have continuous bands across the field line consistent with previous numerical studies. These waves also have harmonic structures in frequency domain and are localized in the field-aligned heavy ion density well. Lastly, our results thus emphasize the importance of a field-aligned heavy ion density structure for ultra-low frequency wave propagation, and suggest that IIH wavesmore » can be localized in different locations along the field line.« less

Ultrafast Harmonic Coherent Compound (UHCC) imaging for high frame rate echocardiography and Shear Wave Elastography

PubMed Central

Correia, Mafalda; Provost, Jean; Chatelin, Simon; Villemain, Olivier; Tanter, Mickael; Pernot, Mathieu

2016-01-01

Transthoracic shear wave elastography of the myocardium remains very challenging due to the poor quality of transthoracic ultrafast imaging and the presence of clutter noise, jitter, phase aberration, and ultrasound reverberation. Several approaches, such as, e.g., diverging-wave coherent compounding or focused harmonic imaging have been proposed to improve the imaging quality. In this study, we introduce ultrafast harmonic coherent compounding (UHCC), in which pulse-inverted diverging-waves are emitted and coherently compounded, and show that such an approach can be used to enhance both Shear Wave Elastography (SWE) and high frame rate B-mode Imaging. UHCC SWE was first tested in phantoms containing an aberrating layer and was compared against pulse-inversion harmonic imaging and against ultrafast coherent compounding (UCC) imaging at the fundamental frequency. In-vivo feasibility of the technique was then evaluated in six healthy volunteers by measuring myocardial stiffness during diastole in transthoracic imaging. We also demonstrated that improvements in imaging quality could be achieved using UHCC B-mode imaging in healthy volunteers. The quality of transthoracic images of the heart was found to be improved with the number of pulse-inverted diverging waves with reduction of the imaging mean clutter level up to 13.8-dB when compared against UCC at the fundamental frequency. These results demonstrated that UHCC B-mode imaging is promising for imaging deep tissues exposed to aberration sources with a high frame-rate. PMID:26890730

Synthesis, crystal structure analysis, spectral investigations, DFT computations and molecular dynamics and docking study of 4-benzyl-5-oxomorpholine-3-carbamide, a potential bioactive agent

NASA Astrophysics Data System (ADS)

Murthy, P. Krishna; Sheena Mary, Y.; Shyma Mary, Y.; Panicker, C. Yohannan; Suneetha, V.; Armaković, Stevan; Armaković, Sanja J.; Van Alsenoy, C.; Suchetan, P. A.

2017-04-01

4-benzyl-5-oxomorpholine-3-carbamide has been synthesized; single crystals were grown by slow evaporation solution growth technique at room temperature and characterized by single crystal X-ray diffraction, FT-IR, FT-Raman and 1H-NMR. The compound crystallizes in the monoclinic space group P21/n. The molecular geometry of the compound was optimized by using Density Functional Theory (DFT/B3LYP) method with 6-311++G(d,p) basis set in the ground state and geometric parameters are in agreement with the X-ray analysis results of the structure. The experimental vibrational spectra were compared with the calculated spectra and each vibrational wave number was assigned on the basis of potential energy distribution (PED). The electronic and charge transfer properties have been explained on the basis of highest occupied molecular orbital's (HOMOs) and lowest unoccupied molecular orbital's (LUMOs). Besides molecular electrostatic potential (MEP), frontier molecular orbital's (FMOs), some global reactivity descriptors, thermodynamic properties, non-linear optical (NLO) behavior and Mullikan charge analysis of the title compound were computed with the same method in gas phase, theoretically. Potential reactive sites of the title compound have been identified by average local ionization energy and Fukui functions, both mapped to the electron density surface. Bond dissociation energies for all single acyclic bonds have been calculated in order to investigate autoxidation and degradation properties of the title compound. Atoms with pronounced interactions with water molecules have been detected by calculations of radial distribution functions after molecular dynamics simulations. The experimental results are compared with the theoretical calculations using DFT methods for the fortification of the paper. Further the docking studies revealed that the title compound as a docked ligand forms a stable complex with pyrrole inhibitor with a binding affinity value of -7.5 kcal/mol. This suggests that the title compound might exhibit inhibitory activity against pyrrole inhibitor. To confirm the potential practical applicability of the title compound antimicrobial activity was tested against gram negative and gram positive bacteria.

μSR and NMR study of the superconducting Heusler compound YPd2Sn

NASA Astrophysics Data System (ADS)

Saadaoui, H.; Shiroka, T.; Amato, A.; Baines, C.; Luetkens, H.; Pomjakushina, E.; Pomjakushin, V.; Mesot, J.; Pikulski, M.; Morenzoni, E.

2013-09-01

We report on muon-spin rotation and relaxation (μSR) and 119Sn nuclear magnetic resonance (NMR) measurements to study the microscopic superconducting and magnetic properties of the Heusler compound with the highest superconducting transition temperature, YPd2Sn (Tc=5.4 K). Measurements in the vortex state provide the temperature dependence of the effective magnetic penetration depth λ(T) and the field dependence of the superconducting gap Δ(0). The results are consistent with a very dirty s-wave BCS superconductor with a gap Δ(0)=0.85(3) meV, λ(0)=212(1) nm, and a Ginzburg-Landau coherence length ξGL(0)≅23 nm. In spite of its very dirty character, the effective density of condensed charge carriers is high compared to that in the normal state. The μSR data in a broad range of applied fields are well reproduced by taking into account a field-related reduction of the effective superconducting gap. Zero-field μSR measurements, sensitive to the possible presence of very small magnetic moments, do not show any indications of magnetism in this compound.

Structures of cycloserine and 2-oxazolidinone probed by X-ray photoelectron spectroscopy: theory and experiment.

PubMed

Ahmed, Marawan; Wang, Feng; Acres, Robert G; Prince, Kevin C

2014-05-22

The electronic structures and properties of 2-oxazolidinone and the related compound cycloserine (CS) have been investigated using theoretical calculations and core and valence photoelectron spectroscopy. Isomerization of the central oxazolidine heterocycle and the addition of an amino group yield cycloserine. Theory correctly predicts the C, N, and O 1s core spectra, and additionally, we report theoretical natural bond orbital (NBO) charges. The valence ionization energies are also in agreement with theory and previous measurements. Although the lowest binding energy part of the spectra of the two compounds shows superficial similarities, further analysis of the charge densities of the frontier orbitals indicates substantial reorganization of the wave functions as a result of isomerization. The highest occupied molecular orbital (HOMO) of CS shows leading carbonyl π character with contributions from other heavy (non-H) atoms in the molecule, while the HOMO of 2-oxazolidinone (OX2) has leading nitrogen, carbon, and oxygen pπ characters. The present study further theoretically predicts bond resonance effects of the compounds, evidence for which is provided by our experimental measurements and published crystallographic data.

A promising high-energy-density material.

PubMed

Zhang, Wenquan; Zhang, Jiaheng; Deng, Mucong; Qi, Xiujuan; Nie, Fude; Zhang, Qinghua

2017-08-03

High-energy density materials represent a significant class of advanced materials and have been the focus of energetic materials community. The main challenge in this field is to design and synthesize energetic compounds with a highest possible density and a maximum possible chemical stability. Here we show an energetic compound, [2,2'-bi(1,3,4-oxadiazole)]-5,5'-dinitramide, is synthesized through a two-step reaction from commercially available reagents. It exhibits a surprisingly high density (1.99 g cm -3 at 298 K), poor solubility in water and most organic solvents, decent thermal stability, a positive heat of formation and excellent detonation properties. The solid-state structural features of the synthesized compound are also investigated via X-ray diffraction and several theoretical techniques. The energetic and sensitivity properties of the explosive compound are similar to those of 2, 4, 6, 8, 10, 12-(hexanitrohexaaza)cyclododecane (CL-20), and the developed compound shows a great promise for potential applications as a high-energy density material.High energy density materials are of interest, but density is the limiting factor for many organic compounds. Here the authors show the formation of a high density energetic compound from a two-step reaction between commercially available compounds that exhibit good heat thermal stability and detonation properties.

Inverse procedure for simultaneous evaluation of viscosity and density of Newtonian liquids from dispersion curves of Love waves

NASA Astrophysics Data System (ADS)

Kiełczyński, P.; Szalewski, M.; Balcerzak, A.

2014-07-01

Simultaneous determination of the viscosity and density of liquids is of great importance in the monitoring of technological processes in the chemical, petroleum, and pharmaceutical industry, as well as in geophysics. In this paper, the authors present the application of Love waves for simultaneous inverse determination of the viscosity and density of liquids. The inversion procedure is based on measurements of the dispersion curves of phase velocity and attenuation of ultrasonic Love waves. The direct problem of the Love wave propagation in a layered waveguide covered by a viscous liquid was formulated and solved. Love waves propagate in an elastic layered waveguide covered on its surface with a viscous (Newtonian) liquid. The inverse problem is formulated as an optimization problem with appropriately constructed objective function that depends on the material properties of an elastic waveguide of the Love wave, material parameters of a liquid (i.e., viscosity and density), and the experimental data. The results of numerical calculations show that Love waves can be efficiently applied to determine simultaneously the physical properties of liquids (i.e., viscosity and density). Sensors based on this method can be very attractive for industrial applications to monitor on-line the parameters (density and viscosity) of process liquid during the course of technological processes, e.g., in polymer industry.

Electronic structures of Plutonium compounds with the NaCl-type monochalcogenides structure

NASA Astrophysics Data System (ADS)

Maehira, Takahiro; Tatetsu, Yasutomi

2012-12-01

We calculate the energy band structure and the Fermi surface of PuS, PuSe and PuTe by using a self-consistent relativistic linear augmented-plane-wave method with the exchange and correlation potential in a local density approximation. It is found in common that the energy bands in the vicinity of the Fermi level are mainly due to the hybridization between Pu 5/ and monochalcogenide p electrons. The obtained main Fermi surfaces are composed of two hole sheets and one electron sheet, all of which are constructed from the band having the Pu 5/ state and the monochalcogenide p state.

Electronic nature of the lock-in magnetic transition in Ce X Al4Si2

NASA Astrophysics Data System (ADS)

Gunasekera, J.; Harriger, L.; Dahal, A.; Maurya, A.; Heitmann, T.; Disseler, S. M.; Thamizhavel, A.; Dhar, S.; Singh, D. J.; Singh, D. K.

2016-04-01

We have investigated the underlying magnetism in newly discovered single crystal Kondo lattices Ce X Al4Si2 , where X = Rh, Ir. We show that the compound undergoes an incommensurate-to-commensurate magnetic transition at Tc=9.19 K (10.75 K in Ir). The spin correlation in the incommensurate phase is described by a spin density wave configuration of Ce ions, which locks in to the long-range antiferromagnetic order at T =Tc. The analysis of the experimental data, combined with the calculation of the electronic properties, suggests the role of the Fermi surface nesting as the primary mechanism behind this phenomenon.

The density of alcohol outlets and adolescent alcohol consumption: An Australian longitudinal analysis.

PubMed

Rowland, B; Evans-Whipp, Tracy; Hemphill, Sheryl; Leung, Rachel; Livingston, M; Toumbourou, J W

2016-01-01

Higher density of alcohol outlets has been linked to increased levels of adolescent alcohol-related behaviour. Research to date has been cross-sectional. A longitudinal design using two waves of annual survey data from the Australian arm of the International Youth Development Study was used. The sample comprised 2835 individuals with average age at wave 2 of 14 years (SD=1.67; range=11-17 years). GSEM was used to examine how absolute levels of alcohol outlet density was associated with student-reported alcohol use one year later, while controlling for prior alcohol use, risk factors at wave one and changes in density over the 2 years. Adolescents' perception of alcohol availability and friends' alcohol use were tested as potential mediators of the association between alcohol outlet density and adolescent alcohol use. Elasticity modelling identified a 10% increase in overall density at wave one was associated with an approximately 17% increase in odds of adolescent alcohol consumption at wave two. Living in areas with a higher density of outlets was associated with a statistically significant increase in the likelihood of adolescents developing early age alcohol consumption. Copyright © 2015 Elsevier Ltd. All rights reserved.

Genesis of charge orders in high temperature superconductors

PubMed Central

Tu, Wei-Lin; Lee, Ting-Kuo

2016-01-01

One of the most puzzling facts about cuprate high-temperature superconductors in the lightly doped regime is the coexistence of uniform superconductivity and/or antiferromagnetism with many low-energy charge-ordered states in a unidirectional charge density wave or a bidirectional checkerboard structure. Recent experiments have discovered that these charge density waves exhibit different symmetries in their intra-unit-cell form factors for different cuprate families. Using a renormalized mean-field theory for a well-known, strongly correlated model of cuprates, we obtain a number of charge-ordered states with nearly degenerate energies without invoking special features of the Fermi surface. All of these self-consistent solutions have a pair density wave intertwined with a charge density wave and sometimes a spin density wave. Most of these states vanish in the underdoped regime, except for one with a large d-form factor that vanishes at approximately 19% doping of the holes, as reported by experiments. Furthermore, these states could be modified to have a global superconducting order, with a nodal-like density of states at low energy. PMID:26732076

Density Shock Waves in Confined Microswimmers

NASA Astrophysics Data System (ADS)

Tsang, Alan Cheng Hou; Kanso, Eva

2016-01-01

Motile and driven particles confined in microfluidic channels exhibit interesting emergent behavior, from propagating density bands to density shock waves. A deeper understanding of the physical mechanisms responsible for these emergent structures is relevant to a number of physical and biomedical applications. Here, we study the formation of density shock waves in the context of an idealized model of microswimmers confined in a narrow channel and subject to a uniform external flow. Interestingly, these density shock waves exhibit a transition from "subsonic" with compression at the back to "supersonic" with compression at the front of the population as the intensity of the external flow increases. This behavior is the result of a nontrivial interplay between hydrodynamic interactions and geometric confinement, and it is confirmed by a novel quasilinear wave model that properly captures the dependence of the shock formation on the external flow. These findings can be used to guide the development of novel mechanisms for controlling the emergent density distribution and the average population speed, with potentially profound implications on various processes in industry and biotechnology, such as the transport and sorting of cells in flow channels.

Energy decomposition analysis of single bonds within Kohn-Sham density functional theory.

PubMed

Levine, Daniel S; Head-Gordon, Martin

2017-11-28

An energy decomposition analysis (EDA) for single chemical bonds is presented within the framework of Kohn-Sham density functional theory based on spin projection equations that are exact within wave function theory. Chemical bond energies can then be understood in terms of stabilization caused by spin-coupling augmented by dispersion, polarization, and charge transfer in competition with destabilizing Pauli repulsions. The EDA reveals distinguishing features of chemical bonds ranging across nonpolar, polar, ionic, and charge-shift bonds. The effect of electron correlation is assessed by comparison with Hartree-Fock results. Substituent effects are illustrated by comparing the C-C bond in ethane against that in bis(diamantane), and dispersion stabilization in the latter is quantified. Finally, three metal-metal bonds in experimentally characterized compounds are examined: a [Formula: see text]-[Formula: see text] dimer, the [Formula: see text]-[Formula: see text] bond in dizincocene, and the Mn-Mn bond in dimanganese decacarbonyl.

Density Waves in Saturn's Rings from Cassini Radio Occultations

NASA Astrophysics Data System (ADS)

French, R. G.; Rappaport, N. J.; Marouf, E. A.; McGhee, C. A.

2005-12-01

The Cassini Radio Science Team conducted a set of optimized diametric occultations by Saturn and its rings from May to September 2005, providing 11 separate probes of Saturn's ionosphere and atmosphere, and 12 optical depth profiles of the complete ring system. Each event was observed by the stations of the Deep Space Net (DSN) at three radio frequencies (S, X, Ka bands, with corresponding wavelengths of ? = 13, 3.6, and 0.9 cm). Very accurate pointing by the spacecraft and ground antennas resulted in stable baseline signal levels, and the relatively large ring opening angle (B=19-25°) permitted us to probe even quite dense ring regions with excellent SNR. The RSS occultation technique enables us to recover very fine detailed radial structure by correcting for diffraction effects. Multiple occultation chords, covering a variety of ring longitudes and ring opening angles, reveal the structure of the rings in remarkable detail, including density and bending waves, satellite wakes, and subtle variations at the 100-m radius scale. Janus and Epimetheus are responsible for a particularly rich set of density waves, and their coorbital interactions result in a complex interplay of time-variable ring structure over the 8-year libration period of the two satellites. We compare the first-order 2:1, 4:3, 5:4, and 6:5 coorbital density waves from multiple occultation chords to linear density wave models based on a dynamical model of the orbital exchange between the moons. From the observed dispersion relation of the wave crests, we infer the surface mass density and eccentricity gradient of particle streamlines, and match the detailed shapes of the wave crests using a non-linear analysis. Second-order coorbital features are also evident, and there are even hints of third-order density waves in the high SNR radio occultation data.

Quantum oscillations in a biaxial pair density wave state.

PubMed

Norman, M R; Davis, J C Séamus

2018-05-22

There has been growing speculation that a pair density wave state is a key component of the phenomenology of the pseudogap phase in the cuprates. Recently, direct evidence for such a state has emerged from an analysis of scanning tunneling microscopy data in halos around the vortex cores. By extrapolation, these vortex halos would then overlap at a magnetic-field scale where quantum oscillations have been observed. Here, we show that a biaxial pair density wave state gives a unique description of the quantum oscillation data, bolstering the case that the pseudogap phase in the cuprates may be a pair density wave state. Copyright © 2018 the Author(s). Published by PNAS.

Enhanced coherent oscillations in the superconducting state of underdoped YB a 2 C u 3 O 6 + x induced via ultrafast terahertz excitation

DOE PAGES

Dakovski, Georgi L.; Lee, Wei -Sheng; Hawthorn, David G.; ...

2015-06-24

We utilize intense, single-cycle terahertz pulses to induce collective excitations in the charge-density-wave-ordered underdoped cuprate YBa 2Cu 3O 6+x. These excitations manifest themselves as pronounced coherent oscillations of the optical reflectivity in the transient state, accompanied by minimal incoherent quasiparticle relaxation dynamics. The oscillations occur at frequencies consistent with soft phonon energies associated with the charge-density-wave, but vanish above the superconducting transition temperature rather than that at the charge-density-wave transition. These results indicate an intimate relationship of the terahertz excitation with the underlying charge-density-wave and the superconducting condensate itself.

Pc-5 wave power in the plasmasphere and trough: CRRES observations

NASA Astrophysics Data System (ADS)

Hartinger, M.; Moldwin, M.; Angelopoulos, V.; Takahashi, K.; Singer, H. J.; Anderson, R. R.

2009-12-01

The CRRES (Combined Release and Radiation Effects Satellite) mission provides an opportunity to study the distribution of MHD wave power in the inner magnetosphere both inside the high-density plasmasphere and in the low-density trough. We present a statistical survey of Pc-5 wave power using CRRES magnetometer and plasma wave data separated into plasmasphere and trough intervals. Using a database of plasmapause crossings, we examined differences in power spectral density between the plasmasphere and trough regions. We found significant differences between the plasmasphere and trough in the radial profiles of Pc-5 wave power. On average, wave power was higher in the trough, but the difference in power depended on magnetic local time. Our study shows that determining the plasmapause location is important for understanding and modeling the MHD wave environment in the Pc-5 frequency band.

Spin waves and magnetic exchange interactions in the spin-ladder compound RbFe 2 Se 3

DOE PAGES

Wang, Meng; Yi, Ming; Jin, Shangjian; ...

2016-07-20

In this paper, we report an inelastic neutron scattering study of the spin waves of the one-dimensional antiferromagnetic spin ladder compound RbFe 2Se 3. The results reveal that the products, SJ's, of the spin S and the magnetic exchange interaction J along the antiferromagnetic (leg) direction and the ferromagnetic (rung) direction are comparable with those for the stripe ordered phase of the parent compounds of the iron-based superconductors. Also, the universality of the SJ's implies nearly universal spin wave dynamics and the irrelevance of the fermiology for the existence of the stripe antiferromagnetic order among various Fe-based materials.

Metal-ligand delocalization and spin density in the CuCl2 and [CuCl4](2-) molecules: Some insights from wave function theory.

PubMed

Giner, Emmanuel; Angeli, Celestino

2015-09-28

The aim of this paper is to unravel the physical phenomena involved in the calculation of the spin density of the CuCl2 and [CuCl4](2-) systems using wave function methods. Various types of wave functions are used here, both variational and perturbative, to analyse the effects impacting the spin density. It is found that the spin density on the chlorine ligands strongly depends on the mixing between two types of valence bond structures. It is demonstrated that the main difficulties found in most of the previous studies based on wave function methods come from the fact that each valence bond structure requires a different set of molecular orbitals and that using a unique set of molecular orbitals in a variational procedure leads to the removal of one of them from the wave function. Starting from these results, a method to compute the spin density at a reasonable computational cost is proposed.

Controlling of the electromagnetic solitary waves generation in the wake of a two-color laser

NASA Astrophysics Data System (ADS)

Pan, K. Q.; Li, S. W.; Guo, L.; Yang, D.; Li, Z. C.; Zheng, C. Y.; Jiang, S. E.; Zhang, B. H.; He, X. T.

2018-05-01

Electromagnetic solitary waves generated by a two-color laser interaction with an underdense plasma are investigated. It is shown that, when the former wave packet of the two-color laser is intense enough, it will excite nonlinear wakefields and generate electron density cavities. The latter wave packets will beat with the nonlinear wakefield and generate both high-frequency and low-frequency components. When the peak density of the cavities exceeds the critical density of the low-frequency component, this part of the electromagnetic field will be trapped to generate electromagnetic solitary waves. By changing the laser and plasma parameters, we can control the wakefield generation, which will also control the generation of the solitary waves. One-dimensional particle-in-cell simulations are performed to prove the controlling of the solitary waves. The simulation results also show that solitary waves generated by higher laser intensities will become moving solitary waves. The two-dimensional particle-in-cell also shows the generation of the solitary waves. In the two-dimensional case, solitary waves are distributed in the transverse directions because of the filamentation instability.

Emergence of charge density waves and a pseudogap in single-layer TiTe2.

PubMed

Chen, P; Pai, Woei Wu; Chan, Y-H; Takayama, A; Xu, C-Z; Karn, A; Hasegawa, S; Chou, M Y; Mo, S-K; Fedorov, A-V; Chiang, T-C

2017-09-11

Two-dimensional materials constitute a promising platform for developing nanoscale devices and systems. Their physical properties can be very different from those of the corresponding three-dimensional materials because of extreme quantum confinement and dimensional reduction. Here we report a study of TiTe 2 from the single-layer to the bulk limit. Using angle-resolved photoemission spectroscopy and scanning tunneling microscopy and spectroscopy, we observed the emergence of a (2 × 2) charge density wave order in single-layer TiTe 2 with a transition temperature of 92 ± 3 K. Also observed was a pseudogap of about 28 meV at the Fermi level at 4.2 K. Surprisingly, no charge density wave transitions were observed in two-layer and multi-layer TiTe 2 , despite the quasi-two-dimensional nature of the material in the bulk. The unique charge density wave phenomenon in the single layer raises intriguing questions that challenge the prevailing thinking about the mechanisms of charge density wave formation.Due to reduced dimensionality, the properties of 2D materials are often different from their 3D counterparts. Here, the authors identify the emergence of a unique charge density wave (CDW) order in monolayer TiTe 2 that challenges the current understanding of CDW formation.

Orbitally limited pair-density-wave phase of multilayer superconductors

NASA Astrophysics Data System (ADS)

Möckli, David; Yanase, Youichi; Sigrist, Manfred

2018-04-01

We investigate the magnetic field dependence of an ideal superconducting vortex lattice in the parity-mixed pair-density-wave phase of multilayer superconductors within a circular cell Ginzburg-Landau approach. In multilayer systems, due to local inversion symmetry breaking, a Rashba spin-orbit coupling is induced at the outer layers. This combined with a perpendicular paramagnetic (Pauli) limiting magnetic field stabilizes a staggered layer dependent pair-density-wave phase in the superconducting singlet channel. The high-field pair-density-wave phase is separated from the low-field BCS phase by a first-order phase transition. The motivating guiding question in this paper is: What is the minimal necessary Maki parameter αM for the appearance of the pair-density-wave phase of a superconducting trilayer system? To address this problem we generalize the circular cell method for the regular flux-line lattice of a type-II superconductor to include paramagnetic depairing effects. Then, we apply the model to the trilayer system, where each of the layers are characterized by Ginzburg-Landau parameter κ0 and a Maki parameter αM. We find that when the spin-orbit Rashba interaction compares to the superconducting condensation energy, the orbitally limited pair-density-wave phase stabilizes for Maki parameters αM>10 .

Bernstein wave aided laser third harmonic generation in a plasma

NASA Astrophysics Data System (ADS)

Tyagi, Yachna; Tripathi, Deepak; Kumar, Ashok

2016-09-01

The process of Bernstein wave aided resonant third harmonic generation of laser in a magnetized plasma is investigated. The extra-ordinary mode (X-mode) laser of frequency ω 0 and wave number k → 0 , travelling across the magnetic field in a plasma, exerts a second harmonic ponderomotive force on the electrons imparting them an oscillatory velocity v → 2 ω0 , 2 k → 0 . This velocity beats with the density perturbation due to the Bernstein wave to produce a density perturbation at cyclotron frequency shifted second harmonic. The density perturbation couples with the oscillatory velocity v → ω0 , k → 0 of X-mode of the laser to produce the cyclotron frequency shifted third harmonic current density leading to harmonic radiation. The phase matching condition for the up shifted frequency is satisfied when the Bernstein wave is nearly counter-propagating to the laser. As the transverse wave number of the Bernstein wave is large, it is effective in the phase matched third harmonic generation, when the laser frequency is not too far from the upper hybrid frequency.

Energy propagation by transverse waves in multiple flux tube systems using filling factors

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

Van Doorsselaere, T.; Gijsen, S. E.; Andries, J.

2014-11-01

In the last few years, it has been found that transverse waves are present at all times in coronal loops or spicules. Their energy has been estimated with an expression derived for bulk Alfvén waves in homogeneous media, with correspondingly uniform wave energy density and flux. The kink mode, however, is localized in space with the energy density and flux dependent on the position in the cross-sectional plane. The more relevant quantities for the kink mode are the integrals of the energy density and flux over the cross-sectional plane. The present paper provides an approximation to the energy propagated bymore » kink modes in an ensemble of flux tubes by means of combining the analysis of single flux tube kink oscillations with a filling factor for the tube cross-sectional area. This finally allows one to compare the expressions for energy flux of Alfvén waves with an ensemble of kink waves. We find that the correction factor for the energy in kink waves, compared to the bulk Alfvén waves, is between f and 2f, where f is the density filling factor of the ensemble of flux tubes.« less

Model Parameterization and P-wave AVA Direct Inversion for Young's Impedance

NASA Astrophysics Data System (ADS)

Zong, Zhaoyun; Yin, Xingyao

2017-05-01

AVA inversion is an important tool for elastic parameters estimation to guide the lithology prediction and "sweet spot" identification of hydrocarbon reservoirs. The product of the Young's modulus and density (named as Young's impedance in this study) is known as an effective lithology and brittleness indicator of unconventional hydrocarbon reservoirs. Density is difficult to predict from seismic data, which renders the estimation of the Young's impedance inaccurate in conventional approaches. In this study, a pragmatic seismic AVA inversion approach with only P-wave pre-stack seismic data is proposed to estimate the Young's impedance to avoid the uncertainty brought by density. First, based on the linearized P-wave approximate reflectivity equation in terms of P-wave and S-wave moduli, the P-wave approximate reflectivity equation in terms of the Young's impedance is derived according to the relationship between P-wave modulus, S-wave modulus, Young's modulus and Poisson ratio. This equation is further compared to the exact Zoeppritz equation and the linearized P-wave approximate reflectivity equation in terms of P- and S-wave velocities and density, which illustrates that this equation is accurate enough to be used for AVA inversion when the incident angle is within the critical angle. Parameter sensitivity analysis illustrates that the high correlation between the Young's impedance and density render the estimation of the Young's impedance difficult. Therefore, a de-correlation scheme is used in the pragmatic AVA inversion with Bayesian inference to estimate Young's impedance only with pre-stack P-wave seismic data. Synthetic examples demonstrate that the proposed approach is able to predict the Young's impedance stably even with moderate noise and the field data examples verify the effectiveness of the proposed approach in Young's impedance estimation and "sweet spots" evaluation.

DFT study on the crystal, electronic and magnetic structures of tantalum based double perovskite oxides Ba2MTaO6 (M = Cr, Mn, Fe) via GGA and GGA + U

NASA Astrophysics Data System (ADS)

Saad, H.-E.; Musa, M.; Elhag, Ahmed

2018-06-01

In this paper, we study the crystal, electronic and magnetic structures of three tantalum based double perovskite oxides Ba2MTaO6 (M = Cr, Mn, Fe). All calculations were performed using the full-potential linear augmented plane-wave (PF-LAPW) method based on the first-principles density functional theory (DFT). For the exchange correlation potential, the generalized gradient approximation (GGA) and GGA plus on-site Coulomb parameter (GGA + U) were employed. The structural optimization reveals that the three compounds are stable in cubic structure (space group Fm-3m; tilt system a0a0a0). The band structure, density of states (DOS), charge density and spin magnetic moments were calculated and analyzed in details. By analysis the band structure and DOS, Ba2MTaO6 exhibits an insulating behavior (M = Cr, Fe) and a half-metallic (HM) nature (M = Mn). GGA + U method yields quite accurate results for the band-gap (Eg) as compared with GGA. We found that all three compounds have stable ferromagnetic (FM) ground state within GGA and GGA + U calculations. The M3+ (3d) ions contribute the majority in the total spin magnetic-moments, while, the empty T5+ (5d) ions carry very small induced magnetic moment via the M (3d)-O (2p)-Ta (5d) hybridization.

High Contrast Ultrafast Imaging of the Human Heart

PubMed Central

Papadacci, Clement; Pernot, Mathieu; Couade, Mathieu; Fink, Mathias; Tanter, Mickael

2014-01-01

Non-invasive ultrafast imaging for human cardiac applications is a big challenge to image intrinsic waves such as electromechanical waves or remotely induced shear waves in elastography imaging techniques. In this paper we propose to perform ultrafast imaging of the heart with adapted sector size by using diverging waves emitted from a classical transthoracic cardiac phased array probe. As in ultrafast imaging with plane wave coherent compounding, diverging waves can be summed coherently to obtain high-quality images of the entire heart at high frame rate in a full field-of-view. To image shear waves propagation at high SNR, the field-of-view can be adapted by changing the angular aperture of the transmitted wave. Backscattered echoes from successive circular wave acquisitions are coherently summed at every location in the image to improve the image quality while maintaining very high frame rates. The transmitted diverging waves, angular apertures and subapertures size are tested in simulation and ultrafast coherent compounding is implemented on a commercial scanner. The improvement of the imaging quality is quantified in phantom and in vivo on human heart. Imaging shear wave propagation at 2500 frame/s using 5 diverging waves provides a strong increase of the Signal to noise ratio of the tissue velocity estimates while maintaining a high frame rate. Finally, ultrafast imaging with a 1 to 5 diverging waves is used to image the human heart at a frame rate of 900 frames/s over an entire cardiac cycle. Thanks to spatial coherent compounding, a strong improvement of imaging quality is obtained with a small number of transmitted diverging waves and a high frame rate, which allows imaging the propagation of electromechanical and shear waves with good image quality. PMID:24474135

Upper hybrid wave excitation due to O-mode interaction with density gradient in the ionosphere

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

Antani, S.N.; Kaup, D.J.; Rao, N.N.

1995-12-31

It has been well recognized that upper hybrid (UH) waves play a key role in various wave processes occurring in the upper hybrid resonance (UHR) region of the ionosphere leading to the observed stimulated electromagnetic emissions (SEE) during artificial heating by ordinary mode (O-mode) electromagnetic waves. Hence it is important to investigate how the UH waves get excited from the incident O-mode. It has been generally suggested that the UH waves are excited by O-mode interaction with nonuniform ionospheric plasma. For instance, direct conversion of the O-mode into UH waves due to pre-existing short scale irregularities was reported earlier. Heremore » the authors consider the role of large-scale, smooth density gradient in exciting the UH waves from the O-mode. The model used is that of a driven harmonic oscillator in which the source term arises from the O-mode interaction with local density gradient. For a slab model with density gradient in the x-direction, and the geomagnetic field in the z-direction, they obtain an inhomogeneous fourth order ordinary differential equation governing the UH wave excitation. This equation has been analyzed in the vicinity of the UHR. The pertinent solutions will be presented and discussed for the typical parameters of heating experiments.« less

Nonlinear interactions between electromagnetic waves and electron plasma oscillations in quantum plasmas.

PubMed

Shukla, P K; Eliasson, B

2007-08-31

We consider nonlinear interactions between intense circularly polarized electromagnetic (CPEM) waves and electron plasma oscillations (EPOs) in a dense quantum plasma, taking into account the electron density response in the presence of the relativistic ponderomotive force and mass increase in the CPEM wave fields. The dynamics of the CPEM waves and EPOs is governed by the two coupled nonlinear Schrödinger equations and Poisson's equation. The nonlinear equations admit the modulational instability of an intense CPEM pump wave against EPOs, leading to the formation and trapping of localized CPEM wave pipes in the electron density hole that is associated with a positive potential distribution in our dense plasma. The relevance of our investigation to the next generation intense laser-solid density plasma interaction experiments is discussed.

Spatial distribution of the wave field of the surface modes sustaining filamentary discharges

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

Lishev, St.; Shivarova, A.; Tarnev, Kh.

2008-01-01

The study presents the electrodynamical description of surface-wave-sustained discharges contracted in filamentary structures. The results are for the spatial distribution of the wave field and for the wave propagation characteristics obtained from a two-dimensional model developed for describing surface-wave behavior in plasmas with an arbitrary distribution of the plasma density. In accordance with the experimental observations of filamentary discharges, the plasma density distribution considered is completed by cylindrically shaped gas-discharge channels extended along the discharge length and positioned in the out-of-center region of the discharge, equidistantly in an azimuthal direction. Due to the two-dimensional inhomogeneity of the plasma density ofmore » the filamentary structure, the eigen surface mode of the structure is a hybrid wave, with all--six--field components. For identification of its behavior, the surface wave properties in the limiting cases of a plasma ring and a single filament--both radially inhomogeneous--are involved in the discussions. The presentation of the results is for filamentary structures with a decreasing number of filaments (from 10 to 2) starting with the plasma ring, the latter supporting propagation of an azimuthally symmetric wave. Due to the resonance absorption of the surface waves, always present because of the smooth variation of the plasma density, the contours of the critical density are those guiding the surface wave propagation. Decreasing number of filaments in the structure leads to localization of the amplitudes of the wave-field components around the filaments. By analogy with the spatial distribution of the wave field in the plasma ring, the strong resonance enhancement of the wave-field components is along that part of the contour of the critical density which is far off the center of the filamentary structure. The analysis of the spatial distribution of the field components of the filamentary structure shows that the hybrid wave is an eigenmode of the whole structure, i.e., the wave field does not appear as a superposition of fields of eigenmodes of the separated filaments completing it. It is stressed that the spatial distribution of the field components of the eigen hybrid mode of the filamentary structure has an azimuthally symmetric background field.« less

Soliton and kink jams in traffic flow with open boundaries.

PubMed

Muramatsu, M; Nagatani, T

1999-07-01

Soliton density wave is investigated numerically and analytically in the optimal velocity model (a car-following model) of a one-dimensional traffic flow with open boundaries. Soliton density wave is distinguished from the kink density wave. It is shown that the soliton density wave appears only at the threshold of occurrence of traffic jams. The Korteweg-de Vries (KdV) equation is derived from the optimal velocity model by the use of the nonlinear analysis. It is found that the traffic soliton appears only near the neutral stability line. The soliton solution is analytically obtained from the perturbed KdV equation. It is shown that the soliton solution obtained from the nonlinear analysis is consistent with that of the numerical simulation.

Characterizing Bonding Patterns in Diradicals and Triradicals by Density-Based Wave Function Analysis: A Uniform Approach.

PubMed

Orms, Natalie; Rehn, Dirk R; Dreuw, Andreas; Krylov, Anna I

2018-02-13

Density-based wave function analysis enables unambiguous comparisons of the electronic structure computed by different methods and removes ambiguity of orbital choices. We use this tool to investigate the performance of different spin-flip methods for several prototypical diradicals and triradicals. In contrast to previous calibration studies that focused on energy gaps between high- and low spin-states, we focus on the properties of the underlying wave functions, such as the number of effectively unpaired electrons. Comparison of different density functional and wave function theory results provides insight into the performance of the different methods when applied to strongly correlated systems such as polyradicals. We show that canonical molecular orbitals for species like large copper-containing diradicals fail to correctly represent the underlying electronic structure due to highly non-Koopmans character, while density-based analysis of the same wave function delivers a clear picture of the bonding pattern.

Control of ULF Wave Accessibility to the Inner Magnetosphere by the Convection of Plasma Density

NASA Astrophysics Data System (ADS)

Degeling, A. W.; Rae, I. J.; Watt, C. E. J.; Shi, Q. Q.; Rankin, R.; Zong, Q.-G.

2018-02-01

During periods of storm activity and enhanced convection, the plasma density in the afternoon sector of the magnetosphere is highly dynamic due to the development of plasmaspheric drainage plume (PDP) structure. This significantly affects the local Alfvén speed and alters the propagation of ULF waves launched from the magnetopause. Therefore, it can be expected that the accessibility of ULF wave power for radiation belt energization is sensitively dependent on the recent history of magnetospheric convection and the stage of development of the PDP. This is investigated using a 3-D model for ULF waves within the magnetosphere in which the plasma density distribution is evolved using an advection model for cold plasma, driven by a (VollandStern) convection electrostatic field (resulting in PDP structure). The wave model includes magnetic field day/night asymmetry and extends to a paraboloid dayside magnetopause, from which ULF waves are launched at various stages during the PDP development. We find that the plume structure significantly alters the field line resonance location, and the turning point for MHD fast waves, introducing strong asymmetry in the ULF wave distribution across the noon meridian. Moreover, the density enhancement within the PDP creates a waveguide or local cavity for MHD fast waves, such that eigenmodes formed allow the penetration of ULF wave power to much lower L within the plume than outside, providing an avenue for electron energization.

The effect of plasma inhomogeneities on (i) radio emission generation by non-gyrotropic electron beams and (ii) particle acceleration by Langmuir waves

NASA Astrophysics Data System (ADS)

Tsiklauri, D.

2014-12-01

Extensive particle-in-cell simulations of fast electron beams injected in a background magnetised plasma with a decreasing density profile were carried out. These simulations were intended to further shed light on a newly proposed mechanism for the generation of electromagnetic waves in type III solar radio bursts [1]. Here recent progress in an alternative to the plasma emission model using Particle-In-Cell, self-consistent electromagnetic wave emission simulations of solar type III radio bursts will be presented. In particular, (i) Fourier space drift (refraction) of non-gyrotropic electron beam-generated wave packets, caused by the density gradient [1,2], (ii) parameter space investigation of numerical runs [3], (iii) concurrent generation of whistler waves [4] and a separate problem of (iv) electron acceleration by Langmuir waves in a background magnetised plasma with an increasing density profile [5] will be discussed. In all considered cases the density inhomogeneity-induced wave refraction plays a crucial role. In the case of non-gyrotropic electron beam, the wave refaction transforms the generated wave packets from standing into freely escaping EM radiation. In the case of electron acceleration by Langmuir waves, a positive density gradient in the direction of wave propagation causes a decrease in the wavenumber, and hence a higher phase velocity vph=ω/k. The k-shifted wave is then subject to absorption by a faster electron by wave-particle interaction. The overall effect is an increased number of high energy electrons in the energy spectrum. [1] D. Tsiklauri, Phys. Plasmas 18, 052903 (2011) [2] H. Schmitz, D. Tsiklauri, Phys. Plasmas 20, 062903 (2013) [3] R. Pechhacker, D. Tsiklauri, Phys. Plasmas 19, 112903 (2012) [4] M. Skender, D. Tsiklauri, Phys. Plasmas 21, 042904 (2014) [5] R. Pechhacker, D. Tsiklauri, Phys. Plasmas 21, 012903 (2014)

A diffusion approximation for ocean wave scatterings by randomly distributed ice floes

NASA Astrophysics Data System (ADS)

Zhao, Xin; Shen, Hayley

2016-11-01

This study presents a continuum approach using a diffusion approximation method to solve the scattering of ocean waves by randomly distributed ice floes. In order to model both strong and weak scattering, the proposed method decomposes the wave action density function into two parts: the transmitted part and the scattered part. For a given wave direction, the transmitted part of the wave action density is defined as the part of wave action density in the same direction before the scattering; and the scattered part is a first order Fourier series approximation for the directional spreading caused by scattering. An additional approximation is also adopted for simplification, in which the net directional redistribution of wave action by a single scatterer is assumed to be the reflected wave action of a normally incident wave into a semi-infinite ice cover. Other required input includes the mean shear modulus, diameter and thickness of ice floes, and the ice concentration. The directional spreading of wave energy from the diffusion approximation is found to be in reasonable agreement with the previous solution using the Boltzmann equation. The diffusion model provides an alternative method to implement wave scattering into an operational wave model.

Merlon-type density waves in a compartmentalized conveyor system

NASA Astrophysics Data System (ADS)

Kanellopoulos, G.; van derWeele, K.

2016-09-01

Multi-particle flow through a cyclic array of K connected compartments with a preferential direction is known to be able to organize itself in the form of density waves [Kanellopoulos, Van der Meer, and Van der Weele, Phys. Rev. E 92, 022205 (2015)]. In this brief note we focus on the intriguing shape these waves take when K is even, in which case they travel through alternatingly dense and diluted compartments. We call them "merlon waves", since the sequence of high and low densities is reminiscent of the merlons and crenels on the battlements of medieval castles.

Modeling and observations of ULF waves trapped in a plasmaspheric density plume

NASA Astrophysics Data System (ADS)

Degeling, A. W.; Zhang, S.; Foster, J. C.; Shi, Q.; Zong, Q. G.; Rankin, R.

2017-12-01

In order for ULF waves to effectively energise radiation belt electrons by drift-resonance, wave power must be significant in regions within the magnetosphere where the ULF wave phase propagation and electron drift directions are roughly aligned. For waves launched along the dayside magnetopause, such a region would be located in the afternoon - dusk sector of the inner magnetosphere. During periods of storm activity and enhanced convection, the plasma density in this region is highly dynamic due to the development of plasmaspheric drainage plume (PDP) structure. This significantly affects the local Alfvén speed, and alters the propagation of ULF waves launched from the magnetopause. It can therefore be expected that the accessibility of ULF wave power for radiation belt energisation is sensitively dependent on the recent history of magnetospheric convection, and the stage of development of the PDP. This is investigated using a 3D model for ULF waves within the magnetosphere in which the plasma density distribution is evolved using an advection model for cold plasma, driven by a (Volland - Stern) convection electrostatic field (resulting in PDP structure). The wave model includes magnetic-field day/night asymmetry, and extends to a paraboloid dayside magnetopause, from which ULF waves are launched at various stages during the PDP development. We find that the plume structure significantly alters the field line resonance (FLR) location, and the turning point for MHD fast waves, introducing strong asymmetry in the ULF wave distribution across the noon meridian. Moreover, the density enhancement within the PDP creates a waveguide or local cavity for MHD fast waves, such that eigenmodes formed allow the penetration of ULF wave power to much lower L within the plume than outside. This may explain satellite observations of the appearance of ULF wave activity within localized density enhancements associated with a PDP. Such an example, made by THEMIS following a geomagnetic storm on October 9, 2013, is described, and compared against the ULF wave model results, for which inputs are constrained by available observations.

Density waves at the interface of a binary complex plasma

NASA Astrophysics Data System (ADS)

Yang, Li; Schwabe, Mierk; Zhdanov, Sergey; Thomas, Hubertus M.; Lipaev, Andrey M.; Molotkov, Vladimir I.; Fortov, Vladimir E.; Zhang, Jing; Du, Cheng-Ran

2017-01-01

Density waves were studied in a phase-separated binary complex plasma under microgravity conditions. For the big particles, waves were self-excited by the two-stream instability, while for small particles, they were excited by heartbeat instability with the presence of reversed propagating pulses of a different frequency. By studying the dynamics of wave crests at the interface, we recognize a “collision zone” and a “merger zone” before and after the interface, respectively. The results provide a generic picture of wave-wave interaction at the interface between two “mediums”.

Design of a novel high efficiency antenna for helicon plasma sources

NASA Astrophysics Data System (ADS)

Fazelpour, S.; Chakhmachi, A.; Iraji, D.

2018-06-01

A new configuration for an antenna, which increases the absorption power and plasma density, is proposed for helicon plasma sources. The influence of the electromagnetic wave pattern symmetry on the plasma density and absorption power in a helicon plasma source with a common antenna (Nagoya) is analysed by using the standard COMSOL Multiphysics 5.3 software. In contrast to the theoretical model prediction, the electromagnetic wave does not represent a symmetric pattern for the common Nagoya antenna. In this work, a new configuration for an antenna is proposed which refines the asymmetries of the wave pattern in helicon plasma sources. The plasma parameters such as plasma density and absorption rate for a common Nagoya antenna and our proposed antenna under the same conditions are studied using simulations. In addition, the plasma density of seven operational helicon plasma source devices, having a common Nagoya antenna, is compared with the simulation results of our proposed antenna and the common Nagoya antenna. The simulation results show that the density of the plasma, which is produced by using our proposed antenna, is approximately twice in comparison to the plasma density produced by using the common Nagoya antenna. In fact, the simulation results indicate that the electric and magnetic fields symmetry of the helicon wave plays a vital role in increasing wave-particle coupling. As a result, wave-particle energy exchange and the plasma density of helicon plasma sources will be increased.

Method of filtering a target compound from a first solvent that is above its critical density

DOEpatents

Phelps, Max R [Richland, WA; Yonker, Clement R [Kennewick, WA; Fulton, John L [Richland, WA; Bowman, Lawrence E [Richland, WA

2001-07-24

The present invention is a method of separating a first compound having a macromolecular structure from a mixture. The first solvent is a fluid that is a gas at standard temperature and pressure and is at a density greater than a critical density of the fluid. A macromolecular structure containing a first compound is dissolved therein as a mixture. The mixture is contacted onto a selective barrier and the first solvent passed through the selective barrier thereby retaining the first compound, followed by recovering the first compound. By using a fluid that is a gas at standard temperature and pressure at a density greater than its critical density, separation without depressurization is fast and efficient.

One-Dimensional Full Wave Simulation of Equatorial Magnetosonic Wave Propagation in an Inhomogeneous Magnetosphere

NASA Astrophysics Data System (ADS)

Liu, Xu; Chen, Lunjin; Yang, Lixia; Xia, Zhiyang; Malaspina, David M.

2018-01-01

The effect of the plasmapause on equatorially radially propagating fast magnetosonic (MS) waves in the Earth's dipole magnetic field is studied by using finite difference time domain method. We run 1-D simulation for three different density profiles: (1) no plasmapause, (2) with a plasmapause, and (3) with a plasmapause accompanied with fine-scale density irregularity. We find that (1) without plasmapause the radially inward propagating MS wave can reach ionosphere and continuously propagate to lower altitude if no damping mechanism is considered. The wave properties follow the cold plasma dispersion relation locally along its trajectory. (2) For simulation with a plasmapause with a scale length of 0.006 RE compared to wavelength, only a small fraction of the MS wave power is reflected by the plasmapause. WKB approximation is generally valid for such plasmapause. (3) The multiple fine-scale density irregularities near the outer edge of plasmapause can effectively block the MS wave propagation, resulting in a terminating boundary for MS waves near the plasmapause.

Alternative route to charge density wave formation in multiband systems

PubMed Central

Eiter, Hans-Martin; Lavagnini, Michela; Hackl, Rudi; Nowadnick, Elizabeth A.; Kemper, Alexander F.; Devereaux, Thomas P.; Chu, Jiun-Haw; Analytis, James G.; Fisher, Ian R.; Degiorgi, Leonardo

2013-01-01

Charge and spin density waves, periodic modulations of the electron, and magnetization densities, respectively, are among the most abundant and nontrivial low-temperature ordered phases in condensed matter. The ordering direction is widely believed to result from the Fermi surface topology. However, several recent studies indicate that this common view needs to be supplemented. Here, we show how an enhanced electron–lattice interaction can contribute to or even determine the selection of the ordering vector in the model charge density wave system ErTe3. Our joint experimental and theoretical study allows us to establish a relation between the selection rules of the electronic light scattering spectra and the enhanced electron–phonon coupling in the vicinity of band degeneracy points. This alternative proposal for charge density wave formation may be of general relevance for driving phase transitions into other broken-symmetry ground states, particularly in multiband systems, such as the iron-based superconductors. PMID:23248317

Local spin-density-wave order inside vortex cores in multiband superconductors

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

Mishra, Vivek; Koshelev, Alexei E.

Coexistence of antiferromagnetic order with superconductivity in many families of newly discovered iron-based superconductors has renewed interest to this old problem. Due to competition between the two types of order, one can expect appearance of the antiferromagnetism inside the cores of the vortices generated by the external magnetic field. The structure of a vortex in type II superconductors holds significant importance from the theoretical and the application points of view. In this paper, we consider the internal vortex structure in a two-band s± superconductor near a spin-density-wave instability. We treat the problem in a completely self-consistent manner within the quasiclassicalmore » Eilenberger formalism. We study the structure of the s± superconducting order and magnetic field-induced spin-density-wave order near an isolated vortex. Finally, we examine the effect of this spin-density-wave state inside the vortex cores on the local density of states.« less

Local spin-density-wave order inside vortex cores in multiband superconductors

DOE PAGES

Mishra, Vivek; Koshelev, Alexei E.

2015-08-13

Coexistence of antiferromagnetic order with superconductivity in many families of newly discovered iron-based superconductors has renewed interest to this old problem. Due to competition between the two types of order, one can expect appearance of the antiferromagnetism inside the cores of the vortices generated by the external magnetic field. The structure of a vortex in type II superconductors holds significant importance from the theoretical and the application points of view. In this paper, we consider the internal vortex structure in a two-band s± superconductor near a spin-density-wave instability. We treat the problem in a completely self-consistent manner within the quasiclassicalmore » Eilenberger formalism. We study the structure of the s± superconducting order and magnetic field-induced spin-density-wave order near an isolated vortex. Finally, we examine the effect of this spin-density-wave state inside the vortex cores on the local density of states.« less

Alternative route to charge density wave formation in multiband systems.

PubMed

Eiter, Hans-Martin; Lavagnini, Michela; Hackl, Rudi; Nowadnick, Elizabeth A; Kemper, Alexander F; Devereaux, Thomas P; Chu, Jiun-Haw; Analytis, James G; Fisher, Ian R; Degiorgi, Leonardo

2013-01-02

Charge and spin density waves, periodic modulations of the electron, and magnetization densities, respectively, are among the most abundant and nontrivial low-temperature ordered phases in condensed matter. The ordering direction is widely believed to result from the Fermi surface topology. However, several recent studies indicate that this common view needs to be supplemented. Here, we show how an enhanced electron-lattice interaction can contribute to or even determine the selection of the ordering vector in the model charge density wave system ErTe(3). Our joint experimental and theoretical study allows us to establish a relation between the selection rules of the electronic light scattering spectra and the enhanced electron-phonon coupling in the vicinity of band degeneracy points. This alternative proposal for charge density wave formation may be of general relevance for driving phase transitions into other broken-symmetry ground states, particularly in multiband systems, such as the iron-based superconductors.

On the mechanism of self gravitating Rossby interfacial waves in proto-stellar accretion discs

NASA Astrophysics Data System (ADS)

Yellin-Bergovoy, Ron; Heifetz, Eyal; Umurhan, Orkan M.

2016-05-01

The dynamical response of edge waves under the influence of self-gravity is examined in an idealised two-dimensional model of a proto-stellar disc, characterised in steady state as a rotating vertically infinite cylinder of fluid with constant density except for a single density interface at some radius ?. The fluid in basic state is prescribed to rotate with a Keplerian profile ? modified by some additional azimuthal sheared flow. A linear analysis shows that there are two azimuthally propagating edge waves, kin to the familiar Rossby waves and surface gravity waves in terrestrial studies, which move opposite to one another with respect to the local basic state rotation rate at the interface. Instability only occurs if the radial pressure gradient is opposite to that of the density jump (unstably stratified) where self-gravity acts as a wave stabiliser irrespective of the stratification of the system. The propagation properties of the waves are discussed in detail in the language of vorticity edge waves. The roles of both Boussinesq and non-Boussinesq effects upon the stability and propagation of these waves with and without the inclusion of self-gravity are then quantified. The dynamics involved with self-gravity non-Boussinesq effect is shown to be a source of vorticity production where there is a jump in the basic state density In addition, self-gravity also alters the dynamics via the radial main pressure gradient, which is a Boussinesq effect. Further applications of these mechanical insights are presented in the conclusion including the ways in which multiple density jumps or gaps may or may not be stable.

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

Jacobson, Paul T; Hagerman, George; Scott, George

This project estimates the naturally available and technically recoverable U.S. wave energy resources, using a 51-month Wavewatch III hindcast database developed especially for this study by National Oceanographic and Atmospheric Administration's (NOAA's) National Centers for Environmental Prediction. For total resource estimation, wave power density in terms of kilowatts per meter is aggregated across a unit diameter circle. This approach is fully consistent with accepted global practice and includes the resource made available by the lateral transfer of wave energy along wave crests, which enables wave diffraction to substantially reestablish wave power densities within a few kilometers of a linear array,more » even for fixed terminator devices. The total available wave energy resource along the U.S. continental shelf edge, based on accumulating unit circle wave power densities, is estimated to be 2,640 TWh/yr, broken down as follows: 590 TWh/yr for the West Coast, 240 TWh/yr for the East Coast, 80 TWh/yr for the Gulf of Mexico, 1570 TWh/yr for Alaska, 130 TWh/yr for Hawaii, and 30 TWh/yr for Puerto Rico. The total recoverable wave energy resource, as constrained by an array capacity packing density of 15 megawatts per kilometer of coastline, with a 100-fold operating range between threshold and maximum operating conditions in terms of input wave power density available to such arrays, yields a total recoverable resource along the U.S. continental shelf edge of 1,170 TWh/yr, broken down as follows: 250 TWh/yr for the West Coast, 160 TWh/yr for the East Coast, 60 TWh/yr for the Gulf of Mexico, 620 TWh/yr for Alaska, 80 TWh/yr for Hawaii, and 20 TWh/yr for Puerto Rico.« less

A Finite-Difference Time-Domain Model of Artificial Ionospheric Modification

NASA Astrophysics Data System (ADS)

Cannon, Patrick; Honary, Farideh; Borisov, Nikolay

Experiments in the artificial modification of the ionosphere via a radio frequency pump wave have observed a wide range of non-linear phenomena near the reflection height of an O-mode wave. These effects exhibit a strong aspect-angle dependence thought to be associated with the process by which, for a narrow range of off-vertical launch angles, the O-mode pump wave can propagate beyond the standard reflection height at X=1 as a Z-mode wave and excite additional plasma activity. A numerical model based on Finite-Difference Time-Domain method has been developed to simulate the interaction of the pump wave with an ionospheric plasma and investigate different non-linear processes involved in modification experiments. The effects on wave propagation due to plasma inhomogeneity and anisotropy are introduced through coupling of the Lorentz equation of motion for electrons and ions to Maxwell’s wave equations in the FDTD formulation, leading to a model that is capable of exciting a variety of plasma waves including Langmuir and upper-hybrid waves. Additionally, discretized equations describing the time-dependent evolution of the plasma fluid temperature and density are included in the FDTD update scheme. This model is used to calculate the aspect angle dependence and angular size of the radio window for which Z-mode excitation occurs, and the results compared favourably with both theoretical predictions and experimental observations. The simulation results are found to reproduce the angular dependence on electron density and temperature enhancement observed experimentally. The model is used to investigate the effect of different initial plasma density conditions on the evolution of non-linear effects, and demonstrates that the inclusion of features such as small field-aligned density perturbations can have a significant influence on wave propagation and the magnitude of temperature and density enhancements.

General analytic results for nonlinear waves and solitons in molecular clouds

NASA Technical Reports Server (NTRS)

Adams, Fred C.; Fatuzzo, Marco; Watkins, Richard

1994-01-01

We study nonlinear wave phenomena in self-gravitating fluid systems, with a particular emphasis on applications to molecular clouds. This paper presents analytical results for one spatial dimension. We show that a large class of physical systems can be described by theories with a 'charge density' q(rho); this quantity replaces the density on the right-hand side of the Poisson equation for the gravitational potential. We use this formulation to prove general results about nonlinear wave motions in self-gravitating systems. We show that in order for stationary waves to exist, the total charge (the integral of the charge density over the wave profile) must vanish. This 'no-charge' property for solitary waves is related to the capability of a system to be stable to gravitational perturbations for arbitrarily long wavelengths. We find necessary and sufficient conditions on the charge density for the existence of solitary waves and stationary waves. We study nonlinear wave motions for Jeans-type theories (where q(rho) = rho-rho(sub 0)) and find that nonlinear waves of large amplitude are confined to a rather narrow range of wavelengths. We also study wave motions for molecular clouds threaded by magnetic fields and show how the allowed range of wavelengths is affected by the field strength. Since the gravitational force in one spatial dimension does not fall off with distance, we consider two classes of models with more realistic gravity: Yukawa potentials and a pseudo two-dimensional treatment. We study the allowed types of wave behavior for these models. Finally, we discuss the implications of this work for molecular cloud structure. We argue that molecular clouds can support a wide variety of wave motions and suggest that stationary waves (such as those considered in this paper) may have already been observed.

DENSITY PERTURBATION BY ALFVÉN WAVES IN MAGNETO-PLASMA

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

Kumar, S.; Moon, Y.-J.; Sharma, R. P.

In this article, we attempt to investigate the density perturbations along magnetic field by ponderomotive effects due to inertial Alfvén waves (AWs) in auroral ionosphere. For this study, we take high-frequency inertial AWs (pump) and their nonlinear interactions with low-frequency slow modes of AWs in that region. The dynamical equations representing these wave modes are known as the Zakharov like equation, and are solved numerically. From the results presented here, we notice the density perturbations in the direction of background magnetic fields. We also find that the deepest density cavity is associated with the strongest magnetic fields. The main reasonmore » for these nonlinear structures could be the ponderomotive effects due to the pump waves. The amplitude of these density structures varies with time until the modulation instability saturates. From our results, we estimate the amplitude of most intense cavity as ∼15% of the unperturbed plasma number density n {sub 0}, which is consistent with the observations. These density structures could be the locations for particle energizations in this region.« less

Delay-Encoded Harmonic Imaging (DE-HI) in Multiplane-Wave Compounding.

PubMed

Gong, Ping; Song, Pengfei; Chen, Shigao

2017-04-01

The development of ultrafast ultrasound imaging brings great opportunities to improve imaging technologies such as shear wave elastography and ultrafast Doppler imaging. In ultrafast imaging, several tilted plane or diverging wave images are coherently combined to form a compounded image, leading to trade-offs among image signal-to-noise ratio (SNR), resolution, and post-compounded frame rate. Multiplane wave (MW) imaging is proposed to solve this trade-off by encoding multiple plane waves with Hadamard matrix during one transmission event (i.e. pulse-echo event), to improve image SNR without sacrificing the resolution or frame rate. However, it suffers from stronger reverberation artifacts in B-mode images compared to standard plane wave compounding due to longer transmitted pulses. If harmonic imaging can be combined with MW imaging, the reverberation artifacts and other clutter noises such as sidelobes and multipath scattering clutters should be suppressed. The challenge, however, is that the Hadamard codes used in MW imaging cannot encode the 2 nd harmonic component by inversing the pulse polarity. In this paper, we propose a delay-encoded harmonic imaging (DE-HI) technique to encode the 2 nd harmonic with a one quarter period delay calculated at the transmit center frequency, rather than reversing the pulse polarity during multiplane wave emissions. Received DE-HI signals can then be decoded in the frequency domain to recover the signals as in single plane wave emissions, but mainly with improved SNR at the 2 nd harmonic component instead of the fundamental component. DE-HI was tested experimentally with a point target, a B-mode imaging phantom, and in-vivo human liver imaging. Improvements in image contrast-to-noise ratio (CNR), spatial resolution, and lesion-signal-to-noise ratio ( l SNR) have been achieved compared to standard plane wave compounding, MW imaging, and standard harmonic imaging (maximal improvement of 116% on CNR and 115% on l SNR as compared to standard HI around 55 mm depth in the B-mode imaging phantom study). The potential high frame rate and the stability of encoding and decoding processes of DE-HI were also demonstrated, which made DE-HI promising for a wide spectrum of imaging applications.

Density waves in Saturn's rings

NASA Technical Reports Server (NTRS)

Cuzzi, J. N.; Lissauer, J. J.; Shu, F. H.

1981-01-01

Certain radial brightness variations in the outer Cassini division of Saturn's rings may be spiral density waves driven by Saturn's large moon Iapetus, in which case a value of approximately 16 g/sq cm for the surface density is calculated in the region where the waves are seen. The kinematic viscosity in the same region is approximately 170 sq cm/s and the vertical scale height of the ring is estimated to be a maximum of approximately 40 m.

Noninvasive method for determining the liquid level and density inside of a container

DOEpatents

Sinha, Dipen N.

2000-01-01

Noninvasive method for determining the liquid level and density inside of a container having arbitrary dimension and shape. By generating a flexural acoustic wave in the container shell and measuring the phase difference of the detected flexural wave from that of the originally generated wave a small distance from the generated wave, while moving the generation and detection means through the liquid/vapor interface, this interface can be detected. Both the wave generation and wave detection may be achieved by transducers on the surface of the container. A change in the phase difference over the outer surface of the vessel signifies that a liquid/vapor interface has been crossed, while the magnitude of the phase difference can be related to fluid density immediately opposite the measurement position on the surface of the vessel.

Normal Mode Derived Models of the Physical Properties of Earth's Outer Core

NASA Astrophysics Data System (ADS)

Irving, J. C. E.; Cottaar, S.; Lekic, V.; Wu, W.

2017-12-01

Earth's outer core, the largest reservoir of metal in our planet, is comprised of an iron alloy of an uncertain composition. Its dynamical behaviour is responsible for the generation of Earth's magnetic field, with convection driven both by thermal and chemical buoyancy fluxes. Existing models of the seismic velocity and density of the outer core exhibit some variation, and there are only a small number of models which aim to represent the outer core's density.It is therefore important that we develop a better understanding of the physical properties of the outer core. Though most of the outer core is likely to be well mixed, it is possible that the uppermost outer core is stably stratified: it may be enriched in light elements released during the growth of the solid, iron enriched, inner core; by elements dissolved from the mantle into the outer core; or by exsolution of compounds previously dissolved in the liquid metal which will eventually be swept into the mantle. The stratified layer may host MAC or Rossby waves and it could impede communication between the chemically differentiated mantle and outer core, including screening out some of the geodynamo's signal. We use normal mode center frequencies to estimate the physical properties of the outer core in a Bayesian framework. We estimate the mineral physical parameters needed to best produce velocity and density models of the outer core which are consistent with the normal mode observations. We require that our models satisfy realistic physical constraints. We create models of the outer core with and without a distinct uppermost layer and assess the importance of this region.Our normal mode-derived models are compared with observations of body waves which travel through the outer core. In particular, we consider SmKS waves which are especially sensitive to the uppermost outer core and are therefore an important way to understand the robustness of our models.

Lattice constant changes leading to significant changes of the spin-gapless features and physical nature in a inverse Heusler compound Zr2MnGa

NASA Astrophysics Data System (ADS)

Wang, Xiaotian; Cheng, Zhenxiang; Khenata, Rabah; Wu, Yang; Wang, Liying; Liu, Guodong

2017-12-01

The spin-gapless semiconductors with parabolic energy dispersions [1-3] have been recently proposed as a new class of materials for potential applications in spintronic devices. In this work, according to the Slater-Pauling rule, we report the fully-compensated ferrimagnetic (FCF) behavior and spin-gapless semiconducting (SGS) properties for a new inverse Heusler compound Zr2MnGa by means of the plane-wave pseudo-potential method based on density functional theory. With the help of GGA-PBE, the electronic structures and the magnetism of Zr2MnGa compound at its equilibrium and strained lattice constants are systematically studied. The calculated results show that the Zr2MnGa is a new SGS at its equilibrium lattice constant: there is an energy gap between the conduction and valence bands for both the majority and minority electrons, while there is no gap between the majority electrons in the valence band and the minority electrons in the conduction band. Remarkably, not only a diverse physical nature transition, but also different types of spin-gapless features can be observed with the change of the lattice constants. Our calculated results of Zr2MnGa compound indicate that this material has great application potential in spintronic devices.

Copper(II) and zinc(II) as metal-carboxylate coordination complexes based on (1-methyl-1H-benzo[d]imidazol-2-yl) methanol derivative: Synthesis, crystal structure, spectroscopy, DFT calculations and antioxidant activity

NASA Astrophysics Data System (ADS)

Benhassine, Anfel; Boulebd, Houssem; Anak, Barkahem; Bouraiou, Abdelmalek; Bouacida, Sofiane; Bencharif, Mustapha; Belfaitah, Ali

2018-05-01

This work presents a combined experimental and theoretical study of two new metal-carboxylate coordination compounds. These complexes were prepared from (1-methyl-1H-benzimidazol-2-yl)methanol under mild conditions. The structures of the prepared compounds were characterized by single-crystal X-ray analysis, FTIR and UV-Vis spectroscopy. In the Cupper complex, the Cu(II) ion is coordinated by two ligands, which act as bidentate chelator through the non-substituted N and O atoms, and two carboxylicg oxygen atoms, displaying a hexa-coordinated compound in a distorted octahedral geometry, while in the Zinc complex the ligand is ligated to the Zn(II) ion in monodentate fashion through the N atom, and the metal ion is also bonded to carboxylic oxygen atoms. The tetra-coordinated compound displays a distorted tetrahedral shape. The density functional theory calculations are carried out for the determination of the optimized structures. The electronic transitions and fundamental vibrational wave numbers are calculated and are in good agreement with experimental. In addition, the ligand and its Cu(II) and Zn(II) complexes were screened and evaluated for their potential as DPPH radical scavenger.

Dynamics of the Trapped Electron Phase Space Density in Relation to the Wave Activity in the Inner Magnetosphere

NASA Astrophysics Data System (ADS)

Vassiliadis, D.; Green, J.

2008-05-01

The phase space density fe of the radiation belt electron population is reconstructed based on measurements made by POLAR/HIST. The density peaks in invariant space (mu, K, L*) are shown to be responding to changes in the solar wind velocity and density, and the interplanetary magnetic field. We have associated specific types of storms with the appearance of peaks thereby producing a climatology of fe. We will report on comparing the phase space density changes during these storms to the ULF wave power in the inner magnetosphere remote- sensed by the IMAGE magnetometer array and related properties of the wave environment.

Spontaneous density fluctuations in granular flow and traffic

NASA Astrophysics Data System (ADS)

Herrmann, Hans J.

It is known that spontaneous density waves appear in granular material flowing through pipes or hoppers. A similar phenomenon is known from traffic jams on highways. Using numerical simulations we show that several types of waves exist and find that the density fluctuations follow a power law spectrum. We also investigate one-dimensional traffic models. If positions and velocities are continuous variables the model shows self-organized criticality driven by the slowest car. Lattice gas and lattice Boltzmann models reproduce the experimentally observed effects. Density waves are spontaneously generated when the viscosity has a non-linear dependence on density or shear rate as it is the case in traffic or granular flow.

Metal-ligand delocalization and spin density in the CuCl{sub 2} and [CuCl{sub 4}]{sup 2−} molecules: Some insights from wave function theory

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

Giner, Emmanuel, E-mail: gnrmnl@unife.it; Angeli, Celestino, E-mail: anc@unife.it

2015-09-28

The aim of this paper is to unravel the physical phenomena involved in the calculation of the spin density of the CuCl{sub 2} and [CuCl{sub 4}]{sup 2−} systems using wave function methods. Various types of wave functions are used here, both variational and perturbative, to analyse the effects impacting the spin density. It is found that the spin density on the chlorine ligands strongly depends on the mixing between two types of valence bond structures. It is demonstrated that the main difficulties found in most of the previous studies based on wave function methods come from the fact that eachmore » valence bond structure requires a different set of molecular orbitals and that using a unique set of molecular orbitals in a variational procedure leads to the removal of one of them from the wave function. Starting from these results, a method to compute the spin density at a reasonable computational cost is proposed.« less

Emergence of charge density waves and a pseudogap in single-layer TiTe 2

DOE PAGES

Chen, P.; Pai, Woei Wu; Chan, Y. -H.; ...

2017-09-11

Two-dimensional materials constitute a promising platform for developing nanoscale devices and systems. Their physical properties can be very different from those of the corresponding three-dimensional materials because of extreme quantum confinement and dimensional reduction. Here in this paper we report a study of TiTe 2 from the single-layer to the bulk limit. Using angle-resolved photoemission spectroscopy and scanning tunneling microscopy and spectroscopy, we observed the emergence of a (2 × 2) charge density wave order in single-layer TiTe 2 with a transition temperature of 92 ± 3 K. Also observed was a pseudogap of about 28 meV at the Fermimore » level at 4.2 K. Surprisingly, no charge density wave transitions were observed in two-layer and multi-layer TiTe 2 , despite the quasi-two-dimensional nature of the material in the bulk. The unique charge density wave phenomenon in the single layer raises intriguing questions that challenge the prevailing thinking about the mechanisms of charge density wave formation.« less

A physical model study of scattering of waves by aligned cracks: Comparison between experiment and theory

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

Ass'ad, J.M.; McDonald, J.A.; Kusky, T.M.

1993-04-01

An approximation to plane-wave propagation through a composite material is examined using a physical model with oriented but randomly distributed penny-shaped rubber inclusions within an isotropic epoxy resin matrix. A pulse transmission method is used to determine velocities of shear and compressional waves as a function of angle of incidence and crack density. The experimental and theoretical results of Hudson were compared and limitations within the crack parameters used in this study have been determined. Results from both polarized shear waves (S1, S2) compare favorably with the theory for a composite with up to 7% crack density, but theory andmore » experiment diverge at higher crack densities. On the other hand, compressional-wave velocities at low crack densities (1% and 3%) compare favorably with the theory. It is also shown that the velocity ratio V[sub p]/V[sub s] for two extreme cases, i.e. propagation normal and parallel to the cracks, as a function of crack density and porosity, has a strong directional dependence.« less

Spin dynamics of possible density wave states in the pseudogap phase of high-temperature superconductors

NASA Astrophysics Data System (ADS)

Hsu, Chen-Hsuan; Wang, Zhiqiang; Chakravarty, Sudip

2012-12-01

In a recent inelastic neutron scattering experiment in the pseudogap state of the high-temperature superconductor YBa2Cu3O6.6, an unusual “vertical” dispersion of the spin excitations with a large in-plane anisotropy was observed. In this paper, we discuss in detail the spin susceptibility of the singlet d-density wave, the triplet d-density wave as well as the more common spin density wave orders with hopping anisotropies. From numerical calculations within the framework of random phase approximation, we find nearly vertical dispersion relations for spin excitations with anisotropic incommensurability at low energy ω≤90meV, which are reminiscent of the experiments. At very high energy ω≥165meV, we also find energy-dependent incommensurability. Although there are some important differences between the three cases, unpolarized neutron measurements cannot discriminate between these alternate possibilities; the vertical dispersion, however, is a distinct feature of all three density wave states in contrast to the superconducting state, which shows an hour-glass shape dispersion.

Dynamics and Afterglow Light Curves of Gamma-Ray Burst Blast Waves Encountering a Density Bump or Void

NASA Astrophysics Data System (ADS)

Uhm, Z. Lucas; Zhang, Bing

2014-07-01

We investigate the dynamics and afterglow light curves of gamma-ray burst blast waves that encounter various density structures (such as bumps, voids, or steps) in the surrounding ambient medium. We present and explain the characteristic response features that each type of density structure in the medium leaves on the forward shock (FS) and reverse shock (RS) dynamics for blast waves with either a long-lived or short-lived RS. We show that when the ambient medium density drops, the blast waves exhibit in some cases a period of an actual acceleration (even during their deceleration stage) due to adiabatic cooling of blast waves. Comparing numerical examples that have different shapes of bumps or voids, we propose a number of consistency tests that must be satisfied by correct modeling of blast waves. Our model results successfully pass these tests. Employing a Lagrangian description of blast waves, we perform a sophisticated calculation of afterglow emission. We show that as a response to density structures in the ambient medium, the RS light curves produce more significant variations than the FS light curves. Some observed features (such as rebrightenings, dips, or slow wiggles) can be more easily explained within the RS model. We also discuss the origin of these different features imprinted on the FS and RS light curves.

Dynamics and afterglow light curves of gamma-ray burst blast waves encountering a density bump or void

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

Uhm, Z. Lucas; Zhang, Bing, E-mail: uhm@pku.edu.cn, E-mail: zhang@physics.unlv.edu

2014-07-01

We investigate the dynamics and afterglow light curves of gamma-ray burst blast waves that encounter various density structures (such as bumps, voids, or steps) in the surrounding ambient medium. We present and explain the characteristic response features that each type of density structure in the medium leaves on the forward shock (FS) and reverse shock (RS) dynamics for blast waves with either a long-lived or short-lived RS. We show that when the ambient medium density drops, the blast waves exhibit in some cases a period of an actual acceleration (even during their deceleration stage) due to adiabatic cooling of blastmore » waves. Comparing numerical examples that have different shapes of bumps or voids, we propose a number of consistency tests that must be satisfied by correct modeling of blast waves. Our model results successfully pass these tests. Employing a Lagrangian description of blast waves, we perform a sophisticated calculation of afterglow emission. We show that as a response to density structures in the ambient medium, the RS light curves produce more significant variations than the FS light curves. Some observed features (such as rebrightenings, dips, or slow wiggles) can be more easily explained within the RS model. We also discuss the origin of these different features imprinted on the FS and RS light curves.« less

The Riemann problem for the relativistic full Euler system with generalized Chaplygin proper energy density-pressure relation

NASA Astrophysics Data System (ADS)

Shao, Zhiqiang

2018-04-01

The relativistic full Euler system with generalized Chaplygin proper energy density-pressure relation is studied. The Riemann problem is solved constructively. The delta shock wave arises in the Riemann solutions, provided that the initial data satisfy some certain conditions, although the system is strictly hyperbolic and the first and third characteristic fields are genuinely nonlinear, while the second one is linearly degenerate. There are five kinds of Riemann solutions, in which four only consist of a shock wave and a centered rarefaction wave or two shock waves or two centered rarefaction waves, and a contact discontinuity between the constant states (precisely speaking, the solutions consist in general of three waves), and the other involves delta shocks on which both the rest mass density and the proper energy density simultaneously contain the Dirac delta function. It is quite different from the previous ones on which only one state variable contains the Dirac delta function. The formation mechanism, generalized Rankine-Hugoniot relation and entropy condition are clarified for this type of delta shock wave. Under the generalized Rankine-Hugoniot relation and entropy condition, we establish the existence and uniqueness of solutions involving delta shocks for the Riemann problem.

Copepod Behavior Response in an Internal Wave Apparatus

NASA Astrophysics Data System (ADS)

Webster, D. R.; Jung, S.; Haas, K. A.

2017-11-01

This study is motivated to understand the bio-physical forcing in zooplankton transport in and near internal waves, where high levels of zooplankton densities have been observed in situ. A laboratory-scale internal wave apparatus was designed to create a standing internal wave for various physical arrangements that mimic conditions observed in the field. A theoretical analysis of a standing internal wave inside a two-layer stratification system including non-linear wave effects was conducted to derive the expressions for the independent variables controlling the wave motion. Focusing on a case with a density jump of 1.0 σt, a standing internal wave was generated with a clean interface and minimal mixing across the pycnocline. Spatial and frequency domain measurements of the internal wave were evaluated in the context of the theoretical analysis. Behavioral assays with a mixed population of three marine copepods were conducted in control (stagnant homogeneous fluid), stagnant density jump interface, and internal wave flow configurations. In the internal wave treatment, the copepods showed an acrobatic, orbital-like motion in and around the internal wave region (bounded by the crests and the troughs of the waves). Trajectories of passive, neutrally-buoyant particles in the internal wave flow reveal that they generally oscillate back-and-forth along fixed paths. Thus, we conclude that the looping, orbital trajectories of copepods in the region near the internal wave interface are due to animal behavior rather than passive transport.

Planning for coordinated space and ground-based ionospheric modification experiments

NASA Technical Reports Server (NTRS)

Lee, M. C.; Burke, William J.; Carlson, Herbert C.; Heckscher, John L.; Kossey, Paul A.; Weber, E. J.; Kuo, S. P.

1990-01-01

The planning and conduction of coordinated space and ground-based ionospheric modification experiments are discussed. The purpose of these experiments is to discuss: (1) the nonlinear VLF wave interaction with the ionospheric plasmas; and (2) the nonlinear propagation of VLF waves in the HF-modified ionosphere. It is expected that the HF-induced ionospheric density striations can render the nonlinear mode conversion of VLF waved into lower hybrid waves. Lower hybrid waves can also be excited parametrically by the VLF waves in the absence of the density striations if the VLF waves are intense enough. Laboratory experiments are planned for crosschecking the results obtained from the field experiments.

Structural characterization of drug-like compounds by ion mobility mass spectrometry: comparison of theoretical and experimentally derived nitrogen collision cross sections.

PubMed

Campuzano, Iain; Bush, Matthew F; Robinson, Carol V; Beaumont, Claire; Richardson, Keith; Kim, Hyungjun; Kim, Hugh I

2012-01-17

We present the use of drug-like molecules as a traveling wave (T-wave) ion mobility (IM) calibration sample set, covering the m/z range of 122.1-609.3, the nitrogen collision cross-section (Ω(N(2))) range of 124.5-254.3 Å(2) and the helium collision cross-section (Ω(He)) range of 63.0-178.8 Å(2). Absolute Ω(N(2)) and Ω(He) values for the drug-like calibrants and two diastereomers were measured using a drift-tube instrument with radio frequency (RF) ion confinement. T-wave drift-times for the protonated diastereomers betamethasone and dexamethasone are reproducibly different. Calibration of these drift-times yields T-wave Ω(N(2)) values of 189.4 and 190.4 Å(2), respectively. These results demonstrate the ability of T-wave IM spectrometry to differentiate diastereomers differing in Ω(N(2)) value by only 1 Å(2), even though the resolution of these IM experiments were ∼40 (Ω/ΔΩ). Demonstrated through density functional theory optimized geometries and ionic electrostatic surface potential analysis, the small but measurable mobility difference between the two diastereomers is mainly due to short-range van der Waals interactions with the neutral buffer gas and not long-range charge-induced dipole interactions. The experimental RF-confining drift-tube and T-wave Ω(N(2)) values were also evaluated using a nitrogen based trajectory method, optimized for T-wave operating temperature and pressures, incorporating additional scaling factors to the Lennard-Jones potentials. Experimental Ω(He) values were also compared to the original and optimized helium based trajectory methods.

Assigning the Cerium Oxidation State for CH2CeF2 and OCeF2 Based on Multireference Wave Function Analysis.

PubMed

Mooßen, Oliver; Dolg, Michael

2016-06-09

The geometric and electronic structure of the recently experimentally studied molecules ZCeF2 (Z = CH2, O) was investigated by density functional theory (DFT) and wave function-based ab initio methods. Special attention was paid to the Ce-Z metal-ligand bonding, especially to the nature of the interaction between the Ce 4f and the Z 2p orbitals and the possible multiconfigurational character arising from it, as well as to the assignment of an oxidation state of Ce reflecting the electronic structure. Complete active space self-consistent field (CASSCF) calculations were performed, followed by orbital rotations in the active orbital space. The methylene compound CH2CeF2 has an open-shell singlet ground state, which is characterized by a two-configurational wave function in the basis of the strongly mixed natural CASSCF orbitals. The system can also be described in a very compact way by the dominant Ce 4f(1) C 2p(1) configuration, if nearly pure Ce 4f and C 2p orbitals are used. In the basis of these localized orbitals, the molecule is almost monoconfigurational and should be best described as a Ce(III) system. The singlet ground state of the oxygen OCeF2 complex is of closed-shell character when a monoconfigurational wave function with very strongly mixed Ce 4f and O 2p CASSCF natural orbitals is used for the description. The transformation to orbitals localized on the cerium and oxygen atoms leads to a multiconfigurational wave function and reveals characteristics of a mixed valent Ce(IV)/Ce(III) compound. Additionally, the interactions of the localized active orbitals were analyzed by evaluating the expectation values of the charge fluctuation operator and the local spin operator. The Ce 4f and C 2p orbital interaction of the CH2CeF2 compound is weakly covalent and resembles the interaction of the H 1s orbitals in a stretched hydrogen dimer. In contrast, the interaction of the localized active orbitals for OCeF2 shows ionic character. Calculated vibrational Ce-C and Ce-O stretching frequencies at the DFT, CASSCF, second-order Rayleigh-Schrödinger perturbation theory (RS2C), multireference configuration interaction (MRCI), as well as single, doubles, and perturbative triples coupled cluster (CCSD(T)) level are reported and compared to experimental infrared absorption data in a Ne and Ar matrix.

Moreton wave, "EIT wave", and type II radio burst as manifestations of a single wave front

NASA Astrophysics Data System (ADS)

Kuzmenko, I. V.; Grechnev, V. V.; Uralov, A. M.

2011-12-01

We show that a Moreton wave, an "EIT wave," and a type II radio burst observed during a solar flare of July 13, 2004, might have been a manifestation of a single front of a decelerating shock wave, which appeared in an active region (AR) during a filament eruption. We propose describing a quasi-spheroidal wave propagating upward and along the solar surface by using relations known from a theory of a point-like explosion in a gas whose density changes along the radius according to a power law. By applying this law to fit the drop in density of the coronal plasma enveloping the solar active region, we first managed to bring the measured positions and velocities of surface Moreton wave and "EIT wave" into correspondence with the observed frequency drift rate of the meter type II radio burst. The exponent of the vertical coronal density falloff is selected by fitting the power law to the Newkirk and Saito empirical distributions in the height range of interest. Formal use of such a dependence in the horizontal direction with a different exponent appears to be reasonable up to distances of less than 200 Mm around the eruption center. It is possible to assume that the near-surface shock wave weakens when leaving this radius and finally the active region, entering the region of the quiet Sun where the coronal plasma density and the fast-mode speed are almost constant along the horizontal.

Simulations of Atmospheric Neutral Wave Coupling to the Ionosphere

NASA Astrophysics Data System (ADS)

Siefring, C. L.; Bernhardt, P. A.

2005-12-01

The densities in the E- and F-layer plasmas are much less than the density of background neutral atmosphere. Atmospheric neutral waves are primary sources of plasma density fluctuations and are the sources for triggering plasma instabilities. The neutral atmosphere supports acoustic waves, acoustic gravity waves, and Kelvin Helmholtz waves from wind shears. These waves help determine the structure of the ionosphere by changes in neutral density that affect ion-electron recombination and by neutral velocities that couple to the plasma via ion-neutral collisions. Neutral acoustic disturbances can arise from thunderstorms, chemical factory explosions and intentional high-explosive tests. Based on conservation of energy, acoustic waves grow in amplitude as they propagate upwards to lower atmospheric densities. Shock waves can form in an acoustic pulse that is eventually damped by viscosity. Ionospheric effects from acoustic waves include transient perturbations of E- and F-Regions and triggering of E-Region instabilities. Acoustic-gravity waves affect the ionosphere over large distances. Gravity wave sources include thunderstorms, auroral region disturbances, Space Shuttle launches and possibly solar eclipses. Low frequency acoustic-gravity waves propagate to yield traveling ionospheric disturbances (TID's), triggering of Equatorial bubbles, and possible periodic structuring of the E-Region. Gravity wave triggering of equatorial bubbles is studied numerically by solving the equations for plasma continuity and ion velocity along with Ohms law to provide an equation for the induced electric potential. Slow moving gravity waves provide density depressions on bottom of ionosphere and a gravitational Rayleigh-Taylor instability is initiated. Radar scatter detects field aligned irregularities in the resulting plasma bubble. Neutral Kelvin-Helmholtz waves are produced by strong mesospheric wind shears that are also coincident with the formation of intense E-layers. An atmospheric model for periodic structures with Kelvin-Helmholtz (KH) wavelengths is used to show the development of quasi-periodic structures in the E-layer. For the model, a background atmosphere near 100 km altitude with a scale height of 12.2 km is subjected to a wind shear profile varying by 100 m/s over a distance of 1.7 km. This neutral speed shear drives the KH instability with a growth time of about 100 seconds. The neutral KH wave is a source of plasma turbulence. The E-layer responds to the KH-Wave structure in the neutral atmosphere as an electrodynamic tracer. The plasma flow leads to small scale plasma field aligned irregularities from a gradient drift, plasma interchange instability (GDI) or a Farley-Buneman, two-stream instability (FBI). These irregularities are detected by radar scatter as quasi-periodic structures. All of these plasma phenomena would not occur without the initiation by neutral atmospheric waves.

Competing charge density wave and antiferromagnetism of metallic atom wires in GaN(10 1 ¯ ) and ZnO(10 1 ¯ )

NASA Astrophysics Data System (ADS)

Kang, Yoon-Gu; Kim, Sun-Woo; Cho, Jun-Hyung

2017-12-01

Low-dimensional electron systems often show a delicate interplay between electron-phonon and electron-electron interactions, giving rise to interesting quantum phases such as the charge density wave (CDW) and magnetism. Using the density-functional theory (DFT) calculations with the semilocal and hybrid exchange-correlation functionals as well as the exact-exchange plus correlation in the random-phase approximation (EX + cRPA), we systematically investigate the ground state of the metallic atom wires containing dangling-bond (DB) electrons, fabricated by partially hydrogenating the GaN(10 1 ¯0 ) and ZnO(10 1 ¯0 ) surfaces. We find that the CDW or antiferromagnetic (AFM) order has an electronic energy gain due to a band-gap opening, thereby being more stabilized compared to the metallic state. Our semilocal DFT calculation predicts that both DB wires in GaN(10 1 ¯0 ) and ZnO(10 1 ¯0 ) have the same CDW ground state, whereas the hybrid DFT and EX + cRPA calculations predict the AFM ground state for the former DB wire and the CDW ground state for the latter one. It is revealed that more localized Ga DB electrons in GaN(10 1 ¯0 ) prefer the AFM order, while less localized Zn DB electrons in ZnO(10 1 ¯0 ) the CDW formation. Our findings demonstrate that the drastically different ground states are competing in the DB wires created on the two representative compound semiconductor surfaces.

Comparison of the human multifocal electroretinogram a-wave response and adaptive optics imaging of cone photoreceptor numbers

NASA Astrophysics Data System (ADS)

Klein, Michael W.

Studies that have used pharmacological agents in non human primates (e.g., Hood et al., IOVS 2002) indicate that electrical activity of cone photoreceptors, depolarizing cone bipolar cells and horizontal cells are all likely to contribute to the multifocal electroretinogram (mfERG) a-wave. The purpose of this study was to examine the relationship between the mfERG a-wave and co-localized cone spatial density individually measured in young healthy human subjects. mfERGs (0.1-300Hz) were recorded from 4 subjects (20-29 years) with a system from Veris Science (EDI, Inc.) using 2.4 degree unstretched hexagons from 206 retinal locations presented at 30 frames per m-step on a 75Hz monitor with m-sequence exponent of 9 and flash strength 9.9 cd-s/m 2. mfERG a-wave amplitude was measured from baseline at 10 milliseconds on the leading edge of the a-wave. In vivo cone images were obtained at 24 retinal locations using a custom-built Adaptive Optics Confocal Scanning Laser Ophthalmoscope. Cone spatial density was measured from a 100x100mum centered on the mfERG hexagons at 24 retinal locations. mfERG a-wave amplitude as well as cone density reduced with increase in retinal eccentricity from the fovea and the a-wave amplitude and cone density were positively correlated for each subject (r2=0.35 to 0.49 and p = 0.0049 to 0.0002). The coefficient of variation (CV) of the mfERG a-wave amplitude across subjects at each retinal location (16-62%) was larger than the CV of the cone density (8-37%) at the same location. The results indicate that underlying cone density accounts for a significant portion (up to nearly 70%) of the variance in the mfERG a-wave amplitude across retinal eccentricity. Other factors likely contribute to the variance (approximately 30%) of the measured mfERG parameters.

Structural electronic and mechanical properties of YM2 (M=Mn, Fe, Co) laves phase compounds: First principle calculations analyzed with datamining approach

NASA Astrophysics Data System (ADS)

Saidi, F.; Sebaa, N.; Mahmoudi, A.; Aourag, H.; Merad, G.; Dergal, M.

2018-06-01

We performed first-principle calculations to investigate structural, phase stability, electronic and mechanical properties for the Laves phases YM2 (M = Mn, Fe, Co) with C15, C14 and C36 structures. We used the density functional theory within the framework of both pseudo-potentials and plane wave basis using VASP (Vienna Ab Initio Software Package). The calculated equilibrium structural parameters are in accordance with available theoretical values. Mechanical properties were calculated, discussed, and analyzed with data mining approach in terms of structure stability. The results reveal that YCo2 is harder than YFe2 and YMn2.

The comparison of approaches to the solid-state NMR-based structural refinement of vitamin B1 hydrochloride and of its monohydrate

NASA Astrophysics Data System (ADS)

Czernek, Jiří; Pawlak, Tomasz; Potrzebowski, Marek J.; Brus, Jiří

2013-01-01

The 13C and 15N CPMAS SSNMR measurements were accompanied by the proper theoretical description of the solid-phase environment, as provided by the density functional theory in the pseudopotential plane-wave scheme, and employed in refining the atomic coordinates of the crystal structures of thiamine chloride hydrochloride and of its monohydrate. Thus, using the DFT functionals PBE, PW91 and RPBE, the SSNMR-consistent solid-phase structures of these compounds are derived from the geometrical optimization, which is followed by an assessment of the fits of the GIPAW-predicted values of the chemical shielding parameters to their experimental counterparts.

Gap features of layered iron-selenium-tellurium compound below and above the superconducting transition temperature by break-junction spectroscopy combined with STS

NASA Astrophysics Data System (ADS)

Ekino, T.; Sugimoto, A.; Gabovich, A. M.

2018-05-01

We studied correlations between the superconducting gap features of Te-substituted FeSe observed by scanning tunnelling spectroscopy (STS) and break-junction tunnelling spectroscopy (BJTS). At bias voltages outside the superconducting gap-energy range, the broad gap structure exists, which becomes the normal-state gap above the critical temperature, T c. Such behaviour is consistent with the model of the partially gapped density-wave superconductor involving both superconducting gaps and pseudogaps, which has been applied by us earlier to high-Tc cuprates. The similarity suggests that the parent electronic spectrum features should have much in common for these classes of materials.

Solitonic Spin-Liquid State Due to the Violation of the Lifshitz Condition in Fe(1+y)Te.

PubMed

Materne, Ph; Koz, C; Rössler, U K; Doerr, M; Goltz, T; Klauss, H H; Schwarz, U; Wirth, S; Rössler, S

2015-10-23

A combination of phenomenological analysis and Mössbauer spectroscopy experiments on the tetragonal Fe(1+y)Te system indicates that the magnetic ordering transition in compounds with higher Fe excess, y≥0.11, is unconventional. Experimentally, a liquidlike magnetic precursor with quasistatic spin order is found from significantly broadened Mössbauer spectra at temperatures above the antiferromagnetic transition. The incommensurate spin-density wave order in Fe(1+y)Te is described by a magnetic free energy that violates the weak Lifshitz condition in the Landau theory of second-order transitions. The presence of multiple Lifshitz invariants provides the mechanism to create multidimensional, twisted, and modulated solitonic phases.

Solitonic Spin-Liquid State Due to the Violation of the Lifshitz Condition in Fe1 +yTe

NASA Astrophysics Data System (ADS)

Materne, Ph.; Koz, C.; Rößler, U. K.; Doerr, M.; Goltz, T.; Klauss, H. H.; Schwarz, U.; Wirth, S.; Rößler, S.

2015-10-01

A combination of phenomenological analysis and Mössbauer spectroscopy experiments on the tetragonal Fe1 +yTe system indicates that the magnetic ordering transition in compounds with higher Fe excess, y ≥0.11 , is unconventional. Experimentally, a liquidlike magnetic precursor with quasistatic spin order is found from significantly broadened Mössbauer spectra at temperatures above the antiferromagnetic transition. The incommensurate spin-density wave order in Fe1 +yTe is described by a magnetic free energy that violates the weak Lifshitz condition in the Landau theory of second-order transitions. The presence of multiple Lifshitz invariants provides the mechanism to create multidimensional, twisted, and modulated solitonic phases.

Wave propagation and noncollisional heating in neutral loop and helicon discharges

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

Celik, Y.; Crintea, D. L.; Luggenhoelscher, D.

2011-02-15

Heating mechanisms in two types of magnetized low pressure rf (13.56 MHz) discharges are investigated: a helicon discharge and a neutral loop discharge. Radial B-dot probe measurements demonstrate that the neutral loop discharge is sustained by helicon waves as well. Axial B-dot probe measurements reveal standing wave and beat patterns depending on the dc magnetic field strength and plasma density. In modes showing a strong wave damping, the plasma refractive index attains values around 100, leading to electron-wave interactions. In strongly damped modes, the radial plasma density profiles are mainly determined by power absorption of the propagating helicon wave, whereasmore » in weakly damped modes, inductive coupling dominates. Furthermore, an azimuthal diamagnetic drift is identified. Measurements of the helicon wave phase demonstrate that initial plane wave fronts are bent during their axial propagation due to the inhomogeneous density profile. A developed analytical standing wave model including Landau damping reproduces very well the damping of the axial helicon wave field. This comparison underlines the theory whereupon Landau damping of electrons traveling along the field lines at speeds close to the helicon phase velocity is the main damping mechanism in both discharges.« less

Observation of low magnetic field density peaks in helicon plasma

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

Barada, Kshitish K.; Chattopadhyay, P. K.; Ghosh, J.

2013-04-15

Single density peak has been commonly observed in low magnetic field (<100 G) helicon discharges. In this paper, we report the observations of multiple density peaks in low magnetic field (<100 G) helicon discharges produced in the linear helicon plasma device [Barada et al., Rev. Sci. Instrum. 83, 063501 (2012)]. Experiments are carried out using argon gas with m = +1 right helical antenna operating at 13.56 MHz by varying the magnetic field from 0 G to 100 G. The plasma density varies with varying the magnetic field at constant input power and gas pressure and reaches to its peakmore » value at a magnetic field value of {approx}25 G. Another peak of smaller magnitude in density has been observed near 50 G. Measurement of amplitude and phase of the axial component of the wave using magnetic probes for two magnetic field values corresponding to the observed density peaks indicated the existence of radial modes. Measured parallel wave number together with the estimated perpendicular wave number suggests oblique mode propagation of helicon waves along the resonance cone boundary for these magnetic field values. Further, the observations of larger floating potential fluctuations measured with Langmuir probes at those magnetic field values indicate that near resonance cone boundary; these electrostatic fluctuations take energy from helicon wave and dump power to the plasma causing density peaks.« less

Electron-cyclotron wave scattering by edge density fluctuations in ITER

NASA Astrophysics Data System (ADS)

Tsironis, Christos; Peeters, Arthur G.; Isliker, Heinz; Strintzi, Dafni; Chatziantonaki, Ioanna; Vlahos, Loukas

2009-11-01

The effect of edge turbulence on the electron-cyclotron wave propagation in ITER is investigated with emphasis on wave scattering, beam broadening, and its influence on localized heating and current drive. A wave used for electron-cyclotron current drive (ECCD) must cross the edge of the plasma, where density fluctuations can be large enough to bring on wave scattering. The scattering angle due to the density fluctuations is small, but the beam propagates over a distance of several meters up to the resonance layer and even small angle scattering leads to a deviation of several centimeters at the deposition location. Since the localization of ECCD is crucial for the control of neoclassical tearing modes, this issue is of great importance to the ITER design. The wave scattering process is described on the basis of a Fokker-Planck equation, where the diffusion coefficient is calculated analytically as well as computed numerically using a ray tracing code.

Quantum coherent switch utilizing commensurate nanoelectrode and charge density periodicities

DOEpatents

Harrison,; Neil, Singleton [Santa Fe, NM; John, Migliori [Los Alamos, NM; Albert, [Santa Fe, NM

2008-08-05

A quantum coherent switch having a substrate formed from a density wave (DW) material capable of having a periodic electron density modulation or spin density modulation, a dielectric layer formed onto a surface of the substrate that is orthogonal to an intrinsic wave vector of the DW material; and structure for applying an external spatially periodic electrostatic potential over the dielectric layer.

Gravity wave and tidal structures between 60 and 140 km inferred from space shuttle reentry data

NASA Technical Reports Server (NTRS)

Fritts, David C.; Wang, Ding-Yi; Blanchard, Robert C.

1993-01-01

This study presents an analysis of density measurements made using high-resolution accelerometers aboard several space shuttles at altitudes from 60 to 140 km during reentry into the earth's atmosphere. The observed density fluctuations are interpreted in terms of gravity waves and tides and provide evidence of the importance of such motions well into the thermosphere. Height profiles of fractional density variance reveal that wave amplitudes increase at a rate consistent with observations at lower levels up to about 90 km. The rate of amplitude growth decreases at greater heights, however, and appears to cease above about 110 km. Wave amplitudes are nevertheless large at these heights and suggest that gravity waves may play an important role in forcing of the lower thermosphere.

Density Fluctuations in the Solar Wind Driven by Alfvén Wave Parametric Decay

NASA Astrophysics Data System (ADS)

Bowen, Trevor A.; Badman, Samuel; Hellinger, Petr; Bale, Stuart D.

2018-02-01

Measurements and simulations of inertial compressive turbulence in the solar wind are characterized by anti-correlated magnetic fluctuations parallel to the mean field and density structures. This signature has been interpreted as observational evidence for non-propagating pressure balanced structures, kinetic ion-acoustic waves, as well as the MHD slow-mode. Given the high damping rates of parallel propagating compressive fluctuations, their ubiquity in satellite observations is surprising and suggestive of a local driving process. One possible candidate for the generation of compressive fluctuations in the solar wind is the Alfvén wave parametric instability. Here, we test the parametric decay process as a source of compressive waves in the solar wind by comparing the collisionless damping rates of compressive fluctuations with growth rates of the parametric decay instability daughter waves. Our results suggest that generation of compressive waves through parametric decay is overdamped at 1 au, but that the presence of slow-mode-like density fluctuations is correlated with the parametric decay of Alfvén waves.

Energy-flux characterization of conical and space-time coupled wave packets

NASA Astrophysics Data System (ADS)

Lotti, A.; Couairon, A.; Faccio, D.; Trapani, P. Di

2010-02-01

We introduce the concept of energy density flux as a characterization tool for the propagation of ultrashort laser pulses with spatiotemporal coupling. In contrast with calculations for the Poynting vector, those for energy density flux are derived in the local frame moving at the velocity of the envelope of the wave packet under examination and do not need knowledge of the magnetic field. We show that the energy flux defined from a paraxial propagation equation follows specific geometrical connections with the phase front of the optical wave packet, which demonstrates that the knowledge of the phase fronts amounts to the measurement of the energy flux. We perform a detailed numerical study of the energy density flux in the particular case of conical waves, with special attention paid to stationary-envelope conical waves (X or O waves). A full characterization of linear conical waves is given in terms of their energy flux. We extend the definition of this concept to the case of nonlinear propagation in Kerr media with nonlinear losses.

Intertwined order in a frustrated four-leg t - J cylinder

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

Dodaro, John F.; Jiang, Hong -Chen; Kivelson, Steven A.

Here, we report a density-matrix renormalization group study of the t–J model with nearest (t 1 and J 1) and next-nearest (t 2 and J 2) interactions on a four-leg cylinder with concentration δ=1/8 of doped holes. We observe an astonishingly complex interplay between uniform d-wave superconductivity (SC) and strong spin and charge-density wave ordering tendencies (SDW and CDW). Depending on parameters, the CDWs can be commensurate with period 4 or 8. By comparing the charge ordering vectors with 2k F, we rule out Fermi surface nesting-induced density wave order in our model. Magnetic frustration (i.e., J 2/J 1~1/2) significantlymore » quenches SDW correlations with little effect on the CDW. Typically, the SC order is strongly modulated at the CDW ordering vector and exhibits d-wave symmetry around the cylinder. There is no evidence of a near-degenerate tendency to pair-density wave (PDW) ordering, charge 4e SC, or orbital current order.« less

Intertwined order in a frustrated four-leg t - J cylinder

DOE PAGES

Dodaro, John F.; Jiang, Hong -Chen; Kivelson, Steven A.

2017-04-12

Here, we report a density-matrix renormalization group study of the t–J model with nearest (t 1 and J 1) and next-nearest (t 2 and J 2) interactions on a four-leg cylinder with concentration δ=1/8 of doped holes. We observe an astonishingly complex interplay between uniform d-wave superconductivity (SC) and strong spin and charge-density wave ordering tendencies (SDW and CDW). Depending on parameters, the CDWs can be commensurate with period 4 or 8. By comparing the charge ordering vectors with 2k F, we rule out Fermi surface nesting-induced density wave order in our model. Magnetic frustration (i.e., J 2/J 1~1/2) significantlymore » quenches SDW correlations with little effect on the CDW. Typically, the SC order is strongly modulated at the CDW ordering vector and exhibits d-wave symmetry around the cylinder. There is no evidence of a near-degenerate tendency to pair-density wave (PDW) ordering, charge 4e SC, or orbital current order.« less

Characterizing bonding patterns in diradicals and triradicals by density-based wave function analysis: A uniform approach

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

Orms, Natalie; Rehn, Dirk; Dreuw, Andreas

Density-based wave function analysis enables unambiguous comparisons of electronic structure computed by different methods and removes ambiguity of orbital choices. Here, we use this tool to investigate the performance of different spin-flip methods for several prototypical diradicals and triradicals. In contrast to previous calibration studies that focused on energy gaps between high and low spin-states, we focus on the properties of the underlying wave functions, such as the number of effectively unpaired electrons. Comparison of different density functional and wave function theory results provides insight into the performance of the different methods when applied to strongly correlated systems such asmore » polyradicals. We also show that canonical molecular orbitals for species like large copper-containing diradicals fail to correctly represent the underlying electronic structure due to highly non-Koopmans character, while density-based analysis of the same wave function delivers a clear picture of bonding pattern.« less

Characterizing bonding patterns in diradicals and triradicals by density-based wave function analysis: A uniform approach

DOE PAGES

Orms, Natalie; Rehn, Dirk; Dreuw, Andreas; ...

2017-12-21

Density-based wave function analysis enables unambiguous comparisons of electronic structure computed by different methods and removes ambiguity of orbital choices. Here, we use this tool to investigate the performance of different spin-flip methods for several prototypical diradicals and triradicals. In contrast to previous calibration studies that focused on energy gaps between high and low spin-states, we focus on the properties of the underlying wave functions, such as the number of effectively unpaired electrons. Comparison of different density functional and wave function theory results provides insight into the performance of the different methods when applied to strongly correlated systems such asmore » polyradicals. We also show that canonical molecular orbitals for species like large copper-containing diradicals fail to correctly represent the underlying electronic structure due to highly non-Koopmans character, while density-based analysis of the same wave function delivers a clear picture of bonding pattern.« less

Extended phase diagram of R NiC2 family: Linear scaling of the Peierls temperature

NASA Astrophysics Data System (ADS)

Roman, Marta; Strychalska-Nowak, Judyta; Klimczuk, Tomasz; Kolincio, Kamil K.

2018-01-01

Physical properties for the late-lanthanide-based R NiC2 (R =Dy , Ho, Er, and Tm) ternary compounds are reported. All the compounds show antiferromagnetic ground state with the Néel temperature ranging from 3.4 K for HoNiC2 to 8.5 K for ErNiC2. The results of the transport and galvanomagnetic properties confirm a charge density wave state at and above room temperature with transition temperatures TCDW=284 , 335, 366, and 394 K for DyNiC2, HoNiC2, ErNiC2, and TmNiC2, respectively. The Peierls temperature TCDW scales linearly with the unit cell volume. A similar linear dependence has been observed for the temperature of the lock-in transition T1 as well. Beyond the intersection point of the trend lines, the lock-in transition is no longer observed. In this Rapid Communication we demonstrate an extended phase diagram for the R NiC2 family.

Electronic structure and optical properties of iron based chalcogenide FeX2 (X = S, Se, Te) for photovoltaic applications: a first principle study

NASA Astrophysics Data System (ADS)

Ghosh, Anima; Thangavel, R.

2017-11-01

In present work, the electronic structure and optical properties of the FeX2 (X = S, Se, Te) compounds have been evaluated by the density functional theory based on the scalar-relativistic full potential linear augmented plane wave method via Wien2K. From the total energy calculations, it has been found that all the compounds have direct band nature, which determined by iron 3 d states at valance band edge and anion p dominated at conduction band at Γ-point and the fundamental band gap between the valence band and conduction band are estimated 1.40, 1.02 and 0.88 eV respectively with scissor correction for FeS2, FeSe2 and FeTe2 which are close to the experimental values. The optical properties such as dielectric tensor components and the absorption coefficient of these materials are determined in order to investigate their usefulness in photovoltaic applications.

Routes to heavy-fermion superconductivity

NASA Astrophysics Data System (ADS)

Steglich, F.; Stockert, O.; Wirth, S.; Geibel, C.; Yuan, H. Q.; Kirchner, S.; Si, Q.

2013-07-01

Superconductivity in lanthanide- and actinide-based heavy-fermion (HF) metals can have different microscopic origins. Among others, Cooper pair formation based on fluctuations of the valence, of the quadrupole moment or of the spin of the localized 4f/5f shell have been proposed. Spin-fluctuation mediated superconductivity in CeCu2Si2 was demonstrated by inelastic neutron scattering to exist in the vicinity of a spin-density-wave (SDW) quantum critical point (QCP). The isostructural HF compound YbRh2Si2 which is prototypical for a Kondo-breakdown QCP has so far not shown any sign of superconductivity down to T ≈ 10 mK. In contrast, results of de-Haas-van-Alphen experiments by Shishido et al. (J. Phys. Soc. Jpn. 74, 1103 (2005)) suggest superconductivity in CeRhIn5 close to an antiferromagnetic QCP beyond the SDW type, at which the Kondo effect breaks down. For the related compound CeCoIn5 however, a field-induced QCP of SDW type is extrapolated to exist inside the superconducting phase.

Energy density and energy flow of surface waves in a strongly magnetized graphene

NASA Astrophysics Data System (ADS)

Moradi, Afshin

2018-01-01

General expressions for the energy density and energy flow of plasmonic waves in a two-dimensional massless electron gas (as a simple model of graphene) are obtained by means of the linearized magneto-hydrodynamic model and classical electromagnetic theory when a strong external magnetic field perpendicular to the system is present. Also, analytical expressions for the energy velocity, wave polarization, wave impedance, transverse and longitudinal field strength functions, and attenuation length of surface magneto-plasmon-polariton waves are derived, and numerical results are prepared.

Multiconfiguration pair-density functional theory: barrier heights and main group and transition metal energetics.

PubMed

Carlson, Rebecca K; Li Manni, Giovanni; Sonnenberger, Andrew L; Truhlar, Donald G; Gagliardi, Laura

2015-01-13

Kohn-Sham density functional theory, resting on the representation of the electronic density and kinetic energy by a single Slater determinant, has revolutionized chemistry, but for open-shell systems, the Kohn-Sham Slater determinant has the wrong symmetry properties as compared to an accurate wave function. We have recently proposed a theory, called multiconfiguration pair-density functional theory (MC-PDFT), in which the electronic kinetic energy and classical Coulomb energy are calculated from a multiconfiguration wave function with the correct symmetry properties, and the rest of the energy is calculated from a density functional, called the on-top density functional, that depends on the density and the on-top pair density calculated from this wave function. We also proposed a simple way to approximate the on-top density functional by translation of Kohn-Sham exchange-correlation functionals. The method is much less expensive than other post-SCF methods for calculating the dynamical correlation energy starting with a multiconfiguration self-consistent-field wave function as the reference wave function, and initial tests of the theory were quite encouraging. Here, we provide a broader test of the theory by applying it to bond energies of main-group molecules and transition metal complexes, barrier heights and reaction energies for diverse chemical reactions, proton affinities, and the water dimerization energy. Averaged over 56 data points, the mean unsigned error is 3.2 kcal/mol for MC-PDFT, as compared to 6.9 kcal/mol for Kohn-Sham theory with a comparable density functional. MC-PDFT is more accurate on average than complete active space second-order perturbation theory (CASPT2) for main-group small-molecule bond energies, alkyl bond dissociation energies, transition-metal-ligand bond energies, proton affinities, and the water dimerization energy.

The effect of plasma inhomogeneities on (i) radio emission generation by non-gyrotropic electron beams and (ii) particle acceleration by Langmuir waves

NASA Astrophysics Data System (ADS)

Tsiklauri, David

2015-04-01

Extensive particle-in-cell simulations of fast electron beams injected in a background magnetised plasma with a decreasing density profile were carried out. These simulations were intended to further shed light on a newly proposed mechanism for the generation of electromagnetic waves in type III solar radio bursts [1]. Here recent progress in an alternative to the plasma emission model using Particle-In-Cell, self-consistent electromagnetic wave emission simulations of solar type III radio bursts will be presented. In particular, (i) Fourier space drift (refraction) of non-gyrotropic electron beam-generated wave packets, caused by the density gradient [1,2], (ii) parameter space investigation of numerical runs [3], (iii) concurrent generation of whistler waves [4] and a separate problem of (iv) electron acceleration by Langmuir waves in a background magnetised plasma with an increasing density profile [5] will be discussed. In all considered cases the density inhomogeneity-induced wave refraction plays a crucial role. In the case of non-gyrotropic electron beam, the wave refraction transforms the generated wave packets from standing into freely escaping EM radiation. In the case of electron acceleration by Langmuir waves, a positive density gradient in the direction of wave propagation causes a decrease in the wavenumber, and hence a higher phase velocity vph = ω/k. The k-shifted wave is then subject to absorption by a faster electron by wave-particle interaction. The overall effect is an increased number of high energy electrons in the energy spectrum. [1] D. Tsiklauri, Phys. Plasmas 18, 052903 (2011); http://dx.doi.org/10.1063/1.3590928 [2] H. Schmitz, D. Tsiklauri, Phys. Plasmas 20, 062903 (2013); http://dx.doi.org/10.1063/1.4812453 [3] R. Pechhacker, D. Tsiklauri, Phys. Plasmas 19, 112903 (2012); http://dx.doi.org/10.1063/1.4768429 [4] M. Skender, D. Tsiklauri, Phys. Plasmas 21, 042904 (2014); http://dx.doi.org/10.1063/1.4871723 [5] R. Pechhacker, D. Tsiklauri, Phys. Plasmas 21, 012903 (2014); http://dx.doi.org/10.1063/1.4863494 This research is funded by the Leverhulme Trust Research Project Grant RPG-311

Enhancing critical current density of cuprate superconductors

DOEpatents

Chaudhari, Praveen

2015-06-16

The present invention concerns the enhancement of critical current densities in cuprate superconductors. Such enhancement of critical current densities include using wave function symmetry and restricting movement of Abrikosov (A) vortices, Josephson (J) vortices, or Abrikosov-Josephson (A-J) vortices by using the half integer vortices associated with d-wave symmetry present in the grain boundary.

Studies of magnetostriction and spin polarized band structures of rare earth intermetallics

NASA Technical Reports Server (NTRS)

Wallace, W. E.

1979-01-01

Anisotropic magnetostriction measurements of R6Fe23, R = (Tb, Dy, Ho, and Er) were carried out from 77 K to room temperature. Magnetic fields up to 2.1 Tesla were applied. All the compounds exhibited large magnetostrictions at 77 K, the largest effect being obtained for Tb6Fe23. Saturation magnetostriction values for the compounds were also determined for 77 K and room temperature. Results of the temperature dependence of magnetostriction for Er6Fe23 are in good agreement with Callen and Callen's single ion theory. Therefore, the main sources of magnetostriction in this compound is the Er ion. The spin-up and spin-down electronic energy bands, the density of states and the magnetic moments of YCo5, SmCo5, and GdCo5 were calculated by the spin polarized augmented plane wave technique. The calculations obtained show the origin of the moment, provide good estimates of its magnitude and variation, and the reasons for those variations. They also show the important role of partial charge transfer and of d-d electronic coupling. Calculations for LaNi5 and GdNi5 systems are discussed.

Insight into the optoelectronic and thermoelectric properties of Ca-based Zintl phase CaCd2X2 (X = P, As) from first principles calculation

NASA Astrophysics Data System (ADS)

Belfarh, T.; Batouche, M.; Seddik, T.; Uğur, G.; Omran, S. Bin; Bouhemadou, A.; Sandeep; Wang, Xiaotian; Sun, Xiao-Wei; Khenata, R.

2018-06-01

We have studied the structural, optical, electronic and thermoelectric properties of the CaCd2X2 (X = P, As) compounds by using the full-potential augmented plane wave plus local orbitals method (FP-APW + lo). The exchange-correlation potential was treated using both the gradient generalized approximation (WC-GGA) and local density approximation (LDA). The estimated structural parameters, including the lattice parameters and internal coordinates agree well with the available experimental data. Our computed band structure shows that both studied compounds are semiconductors, with direct band gaps (Γ-Γ) of approximately 1.78 eV and 1.2 eV for CaCd2P2 and CaCd2As2, respectively, using GGA-TB-mBJ approach. The calculated optical spectra reveal a strong response of these materials in the energy range between the visible light and extreme UV regions, making them a good candidate for optoelectronic devices. Thermoelectric parameters, such as thermal conductivity, electrical conductivity, Seebeck coefficient, power factor and figure of merit were calculated. We note that both the CaCd2P2 and CaCd2As2 compounds show promising thermoelectric properties.

A tale of two theories: How the adiabatic response and ULF waves affect relativistic electrons

NASA Astrophysics Data System (ADS)

Green, J. C.; Kivelson, M. G.

2001-11-01

Using data from the Comprehensive Energetic Particle and Pitch Angle Distribution (CEPPAD)-High Sensitivity Telescope (HIST) instrument on the Polar spacecraft and ground magnetometer data from the 210 meridian magnetometer chain, we test the ULF wave drift resonance theory proposed to explain relativistic electron phase space density enhancements. We begin by investigating changes in electron flux due to the ``Dst effect.'' The Dst effect refers to the adiabatic response of relativistic electrons to changes in the magnetic field characterized by the Dst index. The Dst effect, assuming no loss or addition of new electrons, produces reversible order of magnitude changes in relativistic electrons flux measured at fixed energy, but it cannot account for the flux enhancement that occurs in the recovery phase of most storms. Liouville's theorem states that phase space density expressed in terms of constant adiabatic invariants is unaffected by adiabatic field changes and thus is insensitive to the Dst effect. It is therefore useful to express flux measurements in terms of phase space densities at constant first, second and third adiabatic invariants. The phase space density is determined from the CEPPAD-HIST electron detector that measures differential directional flux of electrons from 0.7 to 9 MeV and the Tsyganenko 96 field model. The analysis is done for January to June 1997. The ULF wave drift resonance theory that we test proposes that relativistic electrons are accelerated by an m=2 toroidal or poloidal mode wave whose frequency equals the drift frequency of the electron. The theory is tested by comparing the relativistic electron phase space densities to wave power determined at three ground stations with L* values of 4.0, 5.7 and 6.2. Comparison of the wave data to the phase space densities shows that five out of nine storm events are consistent with the ULF wave drift resonance mechanism, three out of nine give ambiguous support to the model, and one event has high ULF wave power at the drift frequency of the electrons but no corresponding phase space density enhancement suggesting that ULF wave power alone is not sufficient to cause an electron response. Two explanations of the anomalous event are investigated including excessive loss of electrons to the magnetopause and wave duration.

Synthesis, vibrational spectroscopic investigations, molecular docking, antibacterial studies and molecular dynamics study of 5-[(4-nitrophenyl)acetamido]-2-(4-tert-butylphenyl)benzoxazole

NASA Astrophysics Data System (ADS)

Sheena Mary, Y.; Al-Shehri, Mona M.; Jalaja, K.; Al-Omary, Fatmah A. M.; El-Emam, Ali A.; Yohannan Panicker, C.; Armaković, Stevan; Armaković, Sanja J.; Temiz-Arpaci, Ozlem; Van Alsenoy, C.

2017-04-01

Antimicrobial active 5-[(4-nitrophenyl)acetamido]-2-(4-tert-butylphenyl)benzoxazole (NATPB) was synthesized and observed IR, Raman bands are compared with the theoretically predicted wave numbers. In the IR spectrum the NH stretching wave number splits into a doublet with a noted difference and is red shifted from the computed value, which indicates the weakening of NH bond resulting in proton transfer to the neighbouring oxygen atom. The HOMO-LUMO plots reveal the charge transfer in the molecular system through the conjugated paths. The electrophilic and nucleophilic reactive sites are identified from the MEP plot. Mapping of average local ionization energy (ALIE) values to the electron density surface served us as a tool for prediction of molecule sites possibly prone to electrophilic attacks. Other important reactive centres of the title molecule were detected by calculations of Fukui functions. Calculations of bond dissociation energies (BDE) for hydrogen abstraction were used in order to assess whether the NATPB molecules is prone to autoxidation mechanism or not, while BDE of the remaining single acyclic bonds were used in order to determine the weakest bond. Interaction properties with water were investigated by molecular dynamics (MD) simulations and calculations of radial distribution functions (RDFs). The compound possessed broad spectrum activity against all of the tested Gram-positive and Gram-negative bacteria and yeasts, their minimum inhibitory concentrations (MICs) ranging between 32 and 128 μg/ml. The compound exhibited significant antibacterial activity (32 μg/ml) against an antibiotic resistant E. faecalis isolate, at same potency with the compared standard drugs vancomycin and gentamycin sulfate. The molecular docking studies show that the compound might exhibit inhibitory activity against CDK inhibitors.

Planning for coordinated space and ground-based ionospheric modification experiments

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

Lee, M.C.

1990-10-01

The planning and conducting of coordinated space and ground-based ionospheric modification experiments are discussed. The purpose of these experiments is to investigate (1) the nonlinear VLF wave interaction with the ionospheric plasmas, and (2) the nonlinear propagation of VLF waves in the HF-modified ionosphere. It is expected that the HY-induced ionospheric density striations can render the nonlinear mode conversion of VLF waves into lower hybrid waves. Lower hybrid waves can also be excited parametrically by the VLF waves in the absence of the density striations if the VLF waves are intense enough. Laboratory experiments are planned for crosschecking the resultsmore » obtained from the field experiments.« less

Electron density measurements from the shot noise collected on the STEREO/WAVES antennas

NASA Astrophysics Data System (ADS)

Zouganelis, Ioannis; Bale, Stuart; Bougeret, J.-L.; Maksimovic, Milan

One of the most reliable techniques for in situ measuring the electron density and temperature in space plasmas is the quasi-thermal noise spectroscopy. When a passive electric antenna is immersed in a stable plasma, the thermal motion of the ambient particles produces electrostatic fluctuations, which can be adequately measured with a sensitive wave receiver connected to a wire dipole antenna. Unfortunately, on STEREO, the S/WAVES design does not let us use this high accuracy technique because the antennas have a large surface area and the resulting shot noise spectrum in the solar wind dominates the power at lower frequencies. We can use, instead, the electron shot noise to infer the plasma density. For this, we use well calibrated Wind particle data to deduce the base capacitance of the S/WAVES instrument in a special configuration when the STEREO-B spacecraft was just downstream of Wind. The electron plasma density deduced is then compared to the S/PLASTIC ion density and its accuracy is estimated of up to 10

Orthogonality of embedded wave functions for different states in frozen-density embedding theory

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

Zech, Alexander; Wesolowski, Tomasz A.; Aquilante, Francesco

2015-10-28

Other than lowest-energy stationary embedded wave functions obtained in Frozen-Density Embedding Theory (FDET) [T. A. Wesolowski, Phys. Rev. A 77, 012504 (2008)] can be associated with electronic excited states but they can be mutually non-orthogonal. Although this does not violate any physical principles — embedded wave functions are only auxiliary objects used to obtain stationary densities — working with orthogonal functions has many practical advantages. In the present work, we show numerically that excitation energies obtained using conventional FDET calculations (allowing for non-orthogonality) can be obtained using embedded wave functions which are strictly orthogonal. The used method preserves the mathematicalmore » structure of FDET and self-consistency between energy, embedded wave function, and the embedding potential (they are connected through the Euler-Lagrange equations). The orthogonality is built-in through the linearization in the embedded density of the relevant components of the total energy functional. Moreover, we show formally that the differences between the expectation values of the embedded Hamiltonian are equal to the excitation energies, which is the exact result within linearized FDET. Linearized FDET is shown to be a robust approximation for a large class of reference densities.« less

Planetary and Gravity Waves in the Mesosphere and Lower Thermosphere

NASA Technical Reports Server (NTRS)

Vincent, R. A.

1985-01-01

Rocket and ground based studies of the mesosphere and lower thermosphere show that waves play an important role in the dynamics of their region. The waves manifest themselves in wind, temperature, density, pressure, ionization and airglow fluctuations in the 80-120 km height range. Rockets have enabled the density and temperature structure to be measured with excellent height resolution, while long term studies of wind motions using MST, partial reflection and meteor radars and, more recently, lidar investigations of temperature and density, have enabled the temporal behaviour of the waves to be better understood. A composite of power spectra is shown of wind motions measured near the mesopause at widely separated locations and illustrates how wave energy is distributed as a function of frequency. The spectra show three distinct parts; (1) a long period section corresponding to periods longer than 24 h; (2) a section between 12 and 24 h priod where the spectra are dominated by narrow; peaks associated with the semidiurnal and diurnal tides and (3) a section at periods less than 12 h where the spectral density decreases montonically (except for the 8 h tidal peak). The long period section is associated with transient planetary scale waves while the short period motions are caused by gravity waves.

Orbital selectivity causing anisotropy and particle-hole asymmetry in the charge density wave gap of 2 H -TaS2

NASA Astrophysics Data System (ADS)

Zhao, J.; Wijayaratne, K.; Butler, A.; Yang, J.; Malliakas, C. D.; Chung, D. Y.; Louca, D.; Kanatzidis, M. G.; van Wezel, J.; Chatterjee, U.

2017-09-01

We report an in-depth angle-resolved photoemission spectroscopy study on 2 H -TaS2 , a canonical incommensurate charge density wave (CDW) system. This study demonstrates that just as in related incommensurate CDW systems, 2 H -TaSe2 and 2 H -NbSe2 , the energy gap (ΔCDW) of 2 H -TaS2 is localized along the K -centered Fermi surface barrels and is particle-hole asymmetric. The persistence of ΔCDW even at temperatures higher than the CDW transition temperature TCDW in 2 H -TaS2 , reflects the similar pseudogap behavior observed previously in 2 H -TaSe2 and 2 H -NbSe2 . However, in sharp contrast to 2 H -NbSe2 , where ΔCDW is nonzero only in the vicinity of a few "hot spots" on the inner K -centered Fermi surface barrels, ΔCDW in 2 H -TaS2 is nonzero along the entirety of both K -centered Fermi surface barrels. Based on a tight-binding model, we attribute this dichotomy in the momentum dependence and the Fermi surface specificity of ΔCDW between otherwise similar CDW compounds to the different orbital orientations of their electronic states that participate in the CDW pairing. Our results suggest that the orbital selectivity plays a critical role in the description of incommensurate CDW materials.

Ultrafast Ultrasound Imaging of Ocular Anatomy and Blood Flow

PubMed Central

Urs, Raksha; Ketterling, Jeffrey A.; Silverman, Ronald H.

2016-01-01

Purpose Ophthalmic ultrasound imaging is currently performed with mechanically scanned single-element probes. These probes have limited capabilities overall and lack the ability to image blood flow. Linear-array systems are able to detect blood flow, but these systems exceed ophthalmic acoustic intensity safety guidelines. Our aim was to implement and evaluate a new linear-array–based technology, compound coherent plane-wave ultrasound, which offers ultrafast imaging and depiction of blood flow at safe acoustic intensity levels. Methods We compared acoustic intensity generated by a 128-element, 18-MHz linear array operated in conventionally focused and plane-wave modes and characterized signal-to-noise ratio (SNR) and lateral resolution. We developed plane-wave B-mode, real-time color-flow, and high-resolution depiction of slow flow in postprocessed data collected continuously at a rate of 20,000 frames/s. We acquired in vivo images of the posterior pole of the eye by compounding plane-wave images acquired over ±10° and produced images depicting orbital and choroidal blood flow. Results With the array operated conventionally, Doppler modes exceeded Food and Drug Administration safety guidelines, but plane-wave modalities were well within guidelines. Plane-wave data allowed generation of high-quality compound B-mode images, with SNR increasing with the number of compounded frames. Real-time color-flow Doppler readily visualized orbital blood flow. Postprocessing of continuously acquired data blocks of 1.6-second duration allowed high-resolution depiction of orbital and choroidal flow over the cardiac cycle. Conclusions Newly developed high-frequency linear arrays in combination with plane-wave techniques present opportunities for the evaluation of ocular anatomy and blood flow, as well as visualization and analysis of other transient phenomena such as vessel wall motion over the cardiac cycle and saccade-induced vitreous motion. PMID:27428169

Theoretical investigation of structural, electronic and optical properties of MgxBa1-xS, MgxBa1-xSe and MgxBa1-xTe ternary alloys using DFT based FP-LAPW approach

NASA Astrophysics Data System (ADS)

Bhattacharjee, Rahul; Chattopadhyaya, Surya

2017-11-01

Density functional theory (DFT) based full-potential linearized augmented plane wave (FP-LAPW) methodology has been employed to investigate theoretically the structural, electronic and optical properties of MgxBa1-xS, MgxBa1-xSe and MgxBa1-xTe ternary alloys for 0 ≤ x ≤ 1 in their rock-salt (B1) crystallographic phase. The exchange-correlation potentials for the structural properties have been computed using the Wu-Cohen generalized-gradient approximation (WC-GGA) scheme, while those for the electronic and optical properties have been computed using both the WC-GGA and the recently developed Tran-Blaha modified Becke-Johnson (TB-mBJ) schemes. The thermodynamic stability of all the ternary alloys have been investigated by calculating their respective enthalpy of formation. The atomic and orbital origin of different electronic states in the band structure of the compounds have been identified from the respective density of states (DOS). Using the approach of Zunger and co-workers, the microscopic origin of band gap bowing has been discussed in term of volume deformation, charge exchange and structural relaxation. Bonding characteristics among the constituent atoms of each of the specimens have been discussed from their charge density contour plots. Optical properties of the binary compounds and ternary alloys have been investigated theoretically in terms of their respective dielectric function, refractive index, normal incidence reflectivity and optical conductivity. Several calculated results have been compared with available experimental and other theoretical data.

The preplasma effect on the properties of the shock wave driven by a fast electron beam

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

Llor Aisa, E.; Ribeyre, X.; Tikhonchuk, V. T.

2016-08-15

Strong shock wave generation by a mono-energetic fast electron beam in a plasma with an increasing density profile is studied theoretically. The proposed analytical model describes the shock wave characteristics for a homogeneous plasma preceded by a low density precursor. The shock pressure and the time of shock formation depend on the ratio of the electron stopping length to the preplasma areal density and on the initial energy of injected electrons. The conclusions of theoretical model are confirmed in numerical simulations.

Spin-wave stiffness in the Dzyaloshinskii-Moriya helimagnets Mn1 -xFexSi

NASA Astrophysics Data System (ADS)

Grigoriev, S. V.; Altynbaev, E. V.; Siegfried, S.-A.; Pschenichnyi, K. A.; Menzel, D.; Heinemann, A.; Chaboussant, G.

2018-01-01

The small-angle neutron scattering is used to measure the spin-wave stiffness in the field-polarized state of the Dzyaloshinskii-Moriya helimagnets Mn1 -xFexSi with x =0.03 , 0.06, 0.09, and 0.10. The Mn1 -xFexSi compounds are helically ordered below Tc and show a helical fluctuation regime above Tc in a wide range up to TDM. The critical temperatures Tc and TDM decrease with x and tend to 0 at x =0.11 and 0.17, respectively. We have found that the spin-wave stiffness A change weakly with temperature for each individual Fe-doped compound. On the other hand, the spin-wave stiffness A decreases with x duplicating the TDM dependence on x , rather than Tc(x ) . These findings classify the thermal phase transition in all Mn1 -xFexSi compounds as an abrupt change in the spin state caused, most probably, by the features of an electronic band structure. Moreover, the criticality in these compounds is not related to the value of the ferromagnetic interaction but demonstrates the remarkable role of the Dzyaloshinskii-Moriya interaction as a factor destabilizing the magnetic order.

Wave induced density modification in RF sheaths and close to wave launchers

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

Van Eester, D., E-mail: d.van.eester@fz-juelich.de; Crombé, K.; Department of Applied Physics, Ghent University, Ghent

2015-12-10

With the return to full metal walls - a necessary step towards viable fusion machines - and due to the high power densities of current-day ICRH (Ion Cyclotron Resonance Heating) or RF (radio frequency) antennas, there is ample renewed interest in exploring the reasons for wave-induced sputtering and formation of hot spots. Moreover, there is experimental evidence on various machines that RF waves influence the density profile close to the wave launchers so that waves indirectly influence their own coupling efficiency. The present study presents a return to first principles and describes the wave-particle interaction using a 2-time scale modelmore » involving the equation of motion, the continuity equation and the wave equation on each of the time scales. Through the changing density pattern, the fast time scale dynamics is affected by the slow time scale events. In turn, the slow time scale density and flows are modified by the presence of the RF waves through quasilinear terms. Although finite zero order flows are identified, the usual cold plasma dielectric tensor - ignoring such flows - is adopted as a first approximation to describe the wave response to the RF driver. The resulting set of equations is composed of linear and nonlinear equations and is tackled in 1D in the present paper. Whereas the former can be solved using standard numerical techniques, the latter require special handling. At the price of multiple iterations, a simple ’derivative switch-on’ procedure allows to reformulate the nonlinear problem as a sequence of linear problems. Analytical expressions allow a first crude assessment - revealing that the ponderomotive potential plays a role similar to that of the electrostatic potential arising from charge separation - but numerical implementation is required to get a feeling of the full dynamics. A few tentative examples are provided to illustrate the phenomena involved.« less

Rings and Waves

NASA Image and Video Library

2013-09-30

Saturn A ring is decorated with several kinds of waves. NASA Cassini spacecraft has captured a host of density waves, a bending wave, and the edge waves on the edge of the Keeler gap caused by the small moon Daphnis.

Density response of the mesospheric sodium layer to gravity wave perturbations

NASA Technical Reports Server (NTRS)

Shelton, J. D.; Gardner, C. S.; Sechrist, C. F., Jr.

1980-01-01

Lidar observations of the mesospheric sodium layer often reveal wavelike features moving through the layer. It is often assumed that these features are a layer density response to gravity waves. Chiu and Ching (1978) described the approximate form of the linear response of atmospheric layers to gravity waves. In this paper, their results are used to predict the response of the sodium layer to gravity waves. These simulations are compared with experimental observations and a good correlation is found between the two. Because of the thickness of the sodium layer and the density gradients found in it, a linear model of the layer response is not always adequate to describe gravity wave-sodium layer interactions. Inclusion of nonlinearities in the layer response is briefly discussed. Experimental data is seen to contain features consistent with the predicted nonlinearities.

Spin-Wave Chirality and Its Manifestations in Antiferromagnets

NASA Astrophysics Data System (ADS)

Proskurin, Igor; Stamps, Robert L.; Ovchinnikov, Alexander S.; Kishine, Jun-ichiro

2017-10-01

As first demonstrated by Tang and Cohen in chiral optics, the asymmetry in the rate of electromagnetic energy absorption between left and right enantiomers is determined by an optical chirality density. Here, we demonstrate that this effect can exist in magnetic spin systems. By constructing a formal analogy with electrodynamics, we show that in antiferromagnets with broken chiral symmetry, the asymmetry in local spin-wave energy absorption is proportional to a spin-wave chirality density, which is a direct counterpart of optical zilch. We propose that injection of a pure spin current into an antiferromagnet may serve as a chiral symmetry breaking mechanism, since its effect in the spin-wave approximation can be expressed in terms of additional Lifshitz invariants. We use linear response theory to show that the spin current induces a nonequilibrium spin-wave chirality density.

Observation of sand waves in the Taiwan Banks using HJ-1A/1B sun glitter imagery

NASA Astrophysics Data System (ADS)

Zhang, Hua-guo; Lou, Xiu-lin; Shi, Ai-qin; He, Xie-kai; Guan, Wei-bing; Li, Dong-ling

2014-01-01

This study focuses on the large sand waves in the Taiwan Banks. Our goals are to observe the sand waves as completely as possible, to obtain their direction, wavelength, density, and ridge length, to analyze their spatial distributions, and to understand the effects of the current field and water depth on the sand waves. This study demonstrates the possibility of using HJ-1A/1B sun glitter imagery with a large swath width and rapid coverage in studying sand waves. Six cloud-free HJ-1A/1B optical images with sun glitter signals received during 2009 to 2011 were processed. The sand waves were mapped based on their features in the images; their direction, wavelength, density, and ridge length were measured and analyzed. We identified 4604 sand waves distributed in an area of 16,400 km2. The distributions of sand waves and their characteristics were analyzed, and the differences of sand waves between the northwestern subregion and the southeastern subregion are reported. Further analysis and discussion of the relationships between spatial distribution of the sand waves and both the tidal current field from a numerical simulation and water depth led to some interesting conclusions. The current field determines the orientation of the sand wave, while the hydrodynamic conditions and water depth influence the shape, size, and density of sand waves to a certain degree.

Propagation speed of a starting wave in a queue of pedestrians.

PubMed

Tomoeda, Akiyasu; Yanagisawa, Daichi; Imamura, Takashi; Nishinari, Katsuhiro

2012-09-01

The propagation speed of a starting wave, which is a wave of people's successive reactions in the relaxation process of a queue, has an essential role for pedestrians and vehicles to achieve smooth movement. For example, a queue of vehicles with appropriate headway (or density) alleviates traffic jams since the delay of reaction to start is minimized. In this paper, we have investigated the fundamental relation between the propagation speed of a starting wave and the initial density by both our mathematical model built on the stochastic cellular automata and experimental measurements. Analysis of our mathematical model implies that the relation is characterized by the power law αρ-β (β≠1), and the experimental results verify this feature. Moreover, when the starting wave is characterized by the power law (β>1), we have revealed the existence of optimal density, where the required time, i.e., the sum of the waiting time until the starting wave reaches the last pedestrian in a queue and his/her travel time to pass the head position of the initial queue, is minimized. This optimal density inevitably plays a significant role in achieving a smooth movement of crowds and vehicles in a queue.

Staggering Structure

NASA Image and Video Library

2017-09-06

This view from NASA's Cassini spacecraft shows a wave structure in Saturn's rings known as the Janus 2:1 spiral density wave. Resulting from the same process that creates spiral galaxies, spiral density waves in Saturn's rings are much more tightly wound. In this case, every second wave crest is actually the same spiral arm which has encircled the entire planet multiple times. This is the only major density wave visible in Saturn's B ring. Most of the B ring is characterized by structures that dominate the areas where density waves might otherwise occur, but this innermost portion of the B ring is different. The radius from Saturn at which the wave originates (toward lower-right in this image) is 59,796 miles (96,233 kilometers) from the planet. At this location, ring particles orbit Saturn twice for every time the moon Janus orbits once, creating an orbital resonance. The wave propagates outward from the resonance (and away from Saturn), toward upper-left in this view. For reasons researchers do not entirely understand, damping of waves by larger ring structures is very weak at this location, so this wave is seen ringing for hundreds of bright wave crests, unlike density waves in Saturn's A ring. The image gives the illusion that the ring plane is tilted away from the camera toward upper-left, but this is not the case. Because of the mechanics of how this kind of wave propagates, the wavelength decreases with distance from the resonance. Thus, the upper-left of the image is just as close to the camera as the lower-right, while the wavelength of the density wave is simply shorter. This wave is remarkable because Janus, the moon that generates it, is in a strange orbital configuration. Janus and Epimetheus share practically the same orbit and trade places every four years. Every time one of those orbit swaps takes place, the ring at this location responds, spawning a new crest in the wave. The distance between any pair of crests corresponds to four years' worth of the wave propagating downstream from the resonance, which means the wave seen here encodes many decades' worth of the orbital history of Janus and Epimetheus. According to this interpretation, the part of the wave at the very upper-left of this image corresponds to the positions of Janus and Epimetheus around the time of the Voyager flybys in 1980 and 1981, which is the time at which Janus and Epimetheus were first proven to be two distinct objects (they were first observed in 1966). Epimetheus also generates waves at this location, but they are swamped by the waves from Janus, since Janus is the larger of the two moons. This image was taken on June 4, 2017, with the Cassini spacecraft narrow-angle camera. The image was acquired on the sunlit side of the rings from a distance of 47,000 miles (76,000 kilometers) away from the area pictured. The image scale is 1,730 feet (530 meters) per pixel. The phase angle, or sun-ring-spacecraft angle, is 90 degrees. https://photojournal.jpl.nasa.gov/catalog/PIA21627

Multi-frequency ICRF diagnostic of Tokamak plasmas

NASA Astrophysics Data System (ADS)

Lafonteese, David James

This thesis explores the diagnostic possibilities of a fast wave-based method for measuring the ion density and temperature profiles of tokamak plasmas. In these studies fast waves are coupled to the plasma at frequencies at the second harmonic of the ion gyrofrequency, at which wave energy is absorbed by the finite-temperature ions. As the ion gyrofrequency is dependent upon the local magnetic field, which varies as l/R in a tokamak, this power absorption is radially localized. The simultaneous launching of multiple frequencies, all resonating at different plasma positions, allows local measurements of the ion density and temperature. To investigate the profile applications of wave damping measurements in a simulated tokamak, an inhouse slab-model ICRF code is developed. A variety of analysis methods are presented, and ion density and temperature profiles are reconstructed for hydrogen plasmas for the Electric Tokamak (ET) and ITER parameter spaces. These methods achieve promising results in simulated plasmas featuring bulk ion heating, off-axis RF heating, and density ramps. The experimental results of similar studies on the Electric Tokamak, a high aspect ratio (R/a = 5), low toroidal field (2.2 kG) device are then presented. In these studies, six fast wave frequencies were coupled using a single-strap, low-field-side antenna to ET plasmas. The frequencies were variable, and could be tuned to resonate at different radii for different experiments. Four magnetic pickup loops were used to measure of the toroidal component of the wave magnetic field. The expected greater eigenmode damping of center-resonant frequencies versus edge-resonant frequencies is consistently observed. Comparison of measured aspects of fast wave behavior in ET is made with the slab code predictions, which validate the code simulations under weakly-damped conditions. A density profile is measured for an ET discharge through analysis of the fast wave measurements, and is compared to an electron density profile derived from Thomson scattering data. The methodology behind a similar measurement of the ion temperature profile is also presented.

Resonance of relativistic electrons with electromagnetic ion cyclotron waves

DOE PAGES

Denton, R. E.; Jordanova, V. K.; Bortnik, J.

2015-06-29

Relativistic electrons have been thought to more easily resonate with electromagnetic ion cyclotron EMIC waves if the total density is large. We show that, for a particular EMIC mode, this dependence is weak due to the dependence of the wave frequency and wave vector on the density. A significant increase in relativistic electron minimum resonant energy might occur for the H band EMIC mode only for small density, but no changes in parameters significantly decrease the minimum resonant energy from a nominal value. The minimum resonant energy depends most strongly on the thermal velocity associated with the field line motionmore » of the hot ring current protons that drive the instability. High density due to a plasmasphere or plasmaspheric plume could possibly lead to lower minimum resonance energy by causing the He band EMIC mode to be dominant. We demonstrate these points using parameters from a ring current simulation.« less

Exotic topological density waves in cold atomic Rydberg-dressed fermions

PubMed Central

Li, Xiaopeng; Sarma, S Das

2015-01-01

Versatile controllability of interactions in ultracold atomic and molecular gases has now reached an era where quantum correlations and unconventional many-body phases can be studied with no corresponding analogues in solid-state systems. Recent experiments in Rydberg atomic gases have achieved exquisite control over non-local interactions, allowing novel quantum phases unreachable with the usual local interactions in atomic systems. Here we study Rydberg-dressed atomic fermions in a three-dimensional optical lattice predicting the existence of hitherto unheard-of exotic mixed topological density wave phases. By varying the spatial range of the non-local interaction, we find various chiral density waves with spontaneous time-reversal symmetry breaking, whose quasiparticles form three-dimensional quantum Hall and Weyl semimetal states. Remarkably, certain density waves even exhibit mixed topologies beyond the existing topological classification. Our results suggest gapless fermionic states could exhibit far richer topology than previously expected. PMID:25972134

Wave propagation in axially moving periodic strings

NASA Astrophysics Data System (ADS)

Sorokin, Vladislav S.; Thomsen, Jon Juel

2017-04-01

The paper deals with analytically studying transverse waves propagation in an axially moving string with periodically modulated cross section. The structure effectively models various relevant technological systems, e.g. belts, thread lines, band saws, etc., and, in particular, roller chain drives for diesel engines by capturing both their spatial periodicity and axial motion. The Method of Varying Amplitudes is employed in the analysis. It is shown that the compound wave traveling in the axially moving periodic string comprises many components with different frequencies and wavenumbers. This is in contrast to non-moving periodic structures, for which all components of the corresponding compound wave feature the same frequency. Due to this "multi-frequency" character of the wave motion, the conventional notion of frequency band-gaps appears to be not applicable for the moving periodic strings. Thus, for such structures, by frequency band-gaps it is proposed to understand frequency ranges in which the primary component of the compound wave attenuates. Such frequency band-gaps can be present for a moving periodic string, but only if its axial velocity is lower than the transverse wave speed, and, the higher the axial velocity, the narrower the frequency band-gaps. The revealed effects could be of potential importance for applications, e.g. they indicate that due to spatial inhomogeneity, oscillations of axially moving periodic chains always involve a multitude of frequencies.

Study of gravity waves propagation in the thermosphere of Mars based on MAVEN/NGIMS density measurements

NASA Astrophysics Data System (ADS)

Vals, M.

2017-09-01

We use MAVEN/NGIMS CO2 density measurements to analyse gravity waves in the thermosphere of Mars. In particular the seasonal/latitudinal variability of their amplitude is studied and interpreted. Key background parameters controlling the activity of gravity waves are analysed with the help of the Mars Climate Database (MCD). Gravity waves activity presents a good anti-correlation to the temperature variability retrieved from the MCD. An analysis at pressure levels is ongoing.

Transport of underdamped self-propelled particles in active density waves

NASA Astrophysics Data System (ADS)

Zhu, Wei-jing; Huang, Xiao-qun; Ai, Bao-quan

2018-03-01

Transport of underdamped self-propelled particles is numerically investigated in active density waves. From numerical simulations, it is found that the inertia can strongly affect the transport of self-propelled particles. By changing the wave speed or the friction coefficient, the average velocity can change its direction. The direction of the transport is also determined by the competition between the inertia effect and the traveling waves. Therefore, underdamped active particles can move in different directions and can be separated by suitably tailoring the parameters.

Measurements of the parallel wavenumber of lower hybrid waves in the scrape-off layer of a high-density tokamak

NASA Astrophysics Data System (ADS)

Baek, S. G.; Wallace, G. M.; Shinya, T.; Parker, R. R.; Shiraiwa, S.; Bonoli, P. T.; Brunner, D.; Faust, I.; LaBombard, B. L.; Takase, Y.; Wukitch, S.

2016-05-01

In lower hybrid current drive (LHCD) experiments on tokamaks, the parallel wavenumber of lower hybrid waves is an important physics parameter that governs the wave propagation and absorption physics. However, this parameter has not been experimentally well-characterized in the present-day high density tokamaks, despite the advances in the wave physics modeling. In this paper, we present the first measurement of the dominant parallel wavenumber of lower hybrid waves in the scrape-off layer (SOL) of the Alcator C-Mod tokamak with an array of magnetic loop probes. The electric field strength measured with the probe in typical C-Mod plasmas is about one-fifth of that of the electric field at the mouth of the grill antenna. The amplitude and phase responses of the measured signals on the applied power spectrum are consistent with the expected wave energy propagation. At higher density, the observed k|| increases for the fixed launched k||, and the wave amplitude decreases rapidly. This decrease is correlated with the loss of LHCD efficiency at high density, suggesting the presence of loss mechanisms. Evidence of the spectral broadening mechanisms is observed in the frequency spectra. However, no clear modifications in the dominant k|| are observed in the spectrally broadened wave components, as compared to the measured k|| at the applied frequency. It could be due to (1) the probe being in the SOL and (2) the limited k|| resolution of the diagnostic. Future experiments are planned to investigate the roles of the observed spectral broadening mechanisms on the LH density limit problem in the strong single pass damping regime.

Upper atmospheric planetary-wave and gravity-wave observations

NASA Technical Reports Server (NTRS)

Justus, C. G.; Woodrum, A.

1973-01-01

Previously collected data on atmospheric pressure, density, temperature and winds between 25 and 200 km from sources including Meteorological Rocket Network data, ROBIN falling sphere data, grenade release and pitot tube data, meteor winds, chemical release winds, satellite data, and others were analyzed by a daily-difference method, and results on the magnitude of atmospheric perturbations interpreted as gravity waves and planetary waves are presented. Traveling planetary-wave contributions in the 25-85 km range were found to have significant height and latitudinal variation. It was found that observed gravity-wave density perturbations and wind are related to one another in the manner predicted by gravity-wave theory. It was determined that, on the average, gravity-wave energy deposition or reflection occurs at all altitudes except the 55-75 km region of the mesosphere.

On a theory of surface waves in a smoothly inhomogeneous plasma in an external magnetic field

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

Kuzelev, M. V., E-mail: kuzelev@mail.ru; Orlikovskaya, N. G.

2016-12-15

A theory of surface waves in a magnetoactive plasma with smooth boundaries has been developed. A dispersion equation for surface waves has been derived for a linear law of density change at the plasma boundary. The frequencies of surface waves and their collisionless damping rates have been determined. A generalization to an arbitrary density profile at the plasma boundary is given. The collisions have been taken into account, and the application of the Landau rule in the theory of surface wave damping in a spatially inhomogeneous magnetoactive collisional plasma has been clarified.

Effect of EMIC Wave Normal Angle Distribution on Relativistic Electron Scattering Based on the Newly Developed Self-consistent RC/EMIC Waves Model by Khazanov et al. [2006

NASA Technical Reports Server (NTRS)

Khazanov, G. V.; Gallagher, D. L.; Gamayunov, K.

2007-01-01

It is well known that the effects of EMIC waves on RC ion and RB electron dynamics strongly depend on such particle/wave characteristics as the phase-space distribution function, frequency, wave-normal angle, wave energy, and the form of wave spectral energy density. Therefore, realistic characteristics of EMIC waves should be properly determined by modeling the RC-EMIC waves evolution self-consistently. Such a selfconsistent model progressively has been developing by Khaznnov et al. [2002-2006]. It solves a system of two coupled kinetic equations: one equation describes the RC ion dynamics and another equation describes the energy density evolution of EMIC waves. Using this model, we present the effectiveness of relativistic electron scattering and compare our results with previous work in this area of research.

Experimental and modeling studies of ultrasound-assisted release of phenolics from oak chips into model wine.

PubMed

Tao, Yang; Zhang, Zhihang; Sun, Da-Wen

2014-09-01

The enhancement of release of oak-related compounds from oak chips during wine aging with oak chips may interest the winemaking industry. In this study, the 25-kHz ultrasound waves were used to intensify the mass transfer of phenolics from oak chips into a model wine. The influences of acoustic energy density (6.3-25.8 W/L) and temperature (15-25 °C) on the release kinetics of total phenolics were investigated systematically. The results exhibited that the total phenolic yield released was not affected by acoustic energy density significantly whereas it increased with the increase of temperature during sonication. Furthermore, to describe the mechanism of mass transfer of phenolics in model wine under ultrasonic field, the release kinetics of total phenolics was simulated by both a second-order kinetic model and a diffusion model. The modeling results revealed that the equilibrium concentration of total phenolics in model wine, the initial release rate and effective diffusivity of total phenolics generally increased with acoustic energy density and temperature. In addition, temperature had a negative effect on the second-order release rate constant whereas acoustic energy density had an opposite effect. Copyright © 2014 Elsevier B.V. All rights reserved.

Experimental observation of standing wave effect in low-pressure very-high-frequency capacitive discharges

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

Liu, Yong-Xin; Gao, Fei; Liu, Jia

2014-07-28

Radial uniformity measurements of plasma density were carried out by using a floating double probe in a cylindrical (21 cm in electrode diameter) capacitive discharge reactor driven over a wide range of frequencies (27–220 MHz). At low rf power, a multiple-node structure of standing wave effect was observed at 130 MHz. The secondary density peak caused by the standing wave effect became pronounced and shifts toward the axis as the driving frequency further to increase, indicative of a much more shortened standing-wave wavelength. With increasing rf power, the secondary density peak shift toward the radial edge, namely, the standing-wave wavelength was increased,more » in good qualitative agreement with the previous theory and simulation results. At higher pressures and high frequencies, the rf power was primarily deposited at the periphery of the electrode, due to the fact that the waves were strongly damped as they propagated from the discharge edge into the center.« less

Quasiparticle interference, quasiparticle interactions, and the origin of the charge density wave in 2 H – NbSe 2

DOE PAGES

Arguello, C. J.; Rosenthal, E. P.; Andrade, E. F.; ...

2015-01-21

We show that a small number of intentionally introduced defects can be used as a spectroscopic tool to amplify quasiparticle interference in 2H-NbSe₂ that we measure by scanning tunneling spectroscopic imaging. We show, from the momentum and energy dependence of the quasiparticle interference, that Fermi surface nesting is inconsequential to charge density wave formation in 2H-NbSe₂. We demonstrate that, by combining quasiparticle interference data with additional knowledge of the quasiparticle band structure from angle resolved photoemission measurements, one can extract the wave vector and energy dependence of the important electronic scattering processes thereby obtaining direct information both about the fermiologymore » and the interactions. In 2H-NbSe₂, we use this combination to confirm that the important near-Fermi-surface electronic physics is dominated by the coupling of the quasiparticles to soft mode phonons at a wave vector different from the charge density wave ordering wave vector.« less

Quasiparticle interference, quasiparticle interactions, and the origin of the charge density wave in 2H-NbSe2.

PubMed

Arguello, C J; Rosenthal, E P; Andrade, E F; Jin, W; Yeh, P C; Zaki, N; Jia, S; Cava, R J; Fernandes, R M; Millis, A J; Valla, T; Osgood, R M; Pasupathy, A N

2015-01-23

We show that a small number of intentionally introduced defects can be used as a spectroscopic tool to amplify quasiparticle interference in 2H-NbSe2 that we measure by scanning tunneling spectroscopic imaging. We show, from the momentum and energy dependence of the quasiparticle interference, that Fermi surface nesting is inconsequential to charge density wave formation in 2H-NbSe2. We demonstrate that, by combining quasiparticle interference data with additional knowledge of the quasiparticle band structure from angle resolved photoemission measurements, one can extract the wave vector and energy dependence of the important electronic scattering processes thereby obtaining direct information both about the fermiology and the interactions. In 2H-NbSe2, we use this combination to confirm that the important near-Fermi-surface electronic physics is dominated by the coupling of the quasiparticles to soft mode phonons at a wave vector different from the charge density wave ordering wave vector.

First principles study on structural, electronic and optical properties of Ga1-xBxP ternary alloys (x = 0, 0.25, 0.5, 0.75 and 1)

NASA Astrophysics Data System (ADS)

Hoat, D. M.; Rivas Silva, J. F.; Méndez Blas, A.

2018-07-01

The structural, electronic and optical properties of GaP, BP binary compounds and their ternary alloys Ga1-xBxP (x = 0.25, 0.5 and 0.75) have been studied by full-potential linearized augmented plane wave (FP-LAPW) method within the framework of density functional theory (DFT) as implemented in WIEN2k package. Local density approximation (LDA) and generalized gradient approximation (GGA) as proposed by Perdew-Burke-Ernzerhof (PBE), Wu-Cohen (WC) and PBE for solid (PBESol) were used for treatment of exchange-correlation effect in calculations. Additionally, the Tran-Blaha modified Becke-Johnson (mBJ) potential was also employed for electronic and optical calculations due to that it gives very accurate band gap of solids. As B concentration increases, the lattice constant reduces and the energy band gap firstly decreases for small composition x and then it shows increasing trend until pure BP. Our results show that the indirect-direct band gap transition can be reached from x = 0.33. The linear optical properties, such as reflectivity, absorption coefficient, refractive index and optical conductivity of binary compounds and ternary alloys were derived from their calculated complex dielectric function in wide energy range up to 30 eV, and the alloying effect on these properties was also analyzed in detail.

Structural, electronic, mechanical, thermal and optical properties of B(P,As)1-xNx; (x = 0, 0.25, 0.5, 0.75, 1) alloys and hardness of B(P,As) under compression using DFT calculations

NASA Astrophysics Data System (ADS)

Viswanathan, E.; Sundareswari, M.; Jayalakshmi, D. S.; Manjula, M.; Krishnaveni, S.

2017-09-01

First principles calculations are carried out in order to analyze the structural, electronic, mechanical, thermal and optical properties of BP and BAs compounds by ternary alloying with nitrogen namely B(P,As)1-xNx (x = 0.25, 0.5, 0.75) alloys at ambient condition. Thereby we report the mechanical and thermal properties of B(P,As)1-xNx (x = 0.25, 0.5, 0.75) alloys namely bulk modulus, shear modulus, Young's modulus, hardness, ductile-brittle nature, elastic wave velocity, Debye temperature, melting point, etc.; optical properties of B(P)1-xNx (x = 0.25, 0.5, 0.75) and B(As)1-xNx (x = 0.25, 0.75) alloys namely the dielectric function of real and imaginary part, refractive index, extinction coefficient and reflectivity and the hardness profile of the parent compounds BP and BAs under compression. The charge density plot, density of states histograms and band structures are plotted and discussed for all the ternary alloys of the present study. The calculated results agree very well with the available literature. Analysis of the present study reveals that the ternary alloy combinations namely BP.25N.75 and BAs.25N.75 could be superhard materials; hardness of BP and BAs increases with compression.

Chorus Waves Modulation of Langmuir Waves in the Radiation Belts

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

Li, Jinxing; Bortnik, Jacob; An, Xin

Using high-resolution waveforms measured by the Van Allen Probes, we report a novel observation in the radiation belts. Namely, we show that multiband, discrete, rising-tone whistler-mode chorus emissions exhibit a one-to-one correlation with Langmuir wave bursts. Moreover, the periodic Langmuir wave bursts are generally observed at the phase location where the chorus wave E || component is oriented opposite to its propagation direction. The electron measurements show a beam in phase space density at the particle velocity that matches the parallel phase velocity of the chorus waves. Based on this evidence, we conclude that the chorus waves accelerate the suprathermalmore » electrons via Landau resonance, and generate a localized electron beam in phase space density. Consequently, the Langmuir waves are excited locally and are modulated by the chorus wave phase. As a result, this microscale interaction between chorus waves and high frequency electrostatic waves provides a new insight into the nonlinear wave-particle interaction process.« less

Chorus Waves Modulation of Langmuir Waves in the Radiation Belts

DOE PAGES

Li, Jinxing; Bortnik, Jacob; An, Xin; ...

2017-11-20

Using high-resolution waveforms measured by the Van Allen Probes, we report a novel observation in the radiation belts. Namely, we show that multiband, discrete, rising-tone whistler-mode chorus emissions exhibit a one-to-one correlation with Langmuir wave bursts. Moreover, the periodic Langmuir wave bursts are generally observed at the phase location where the chorus wave E || component is oriented opposite to its propagation direction. The electron measurements show a beam in phase space density at the particle velocity that matches the parallel phase velocity of the chorus waves. Based on this evidence, we conclude that the chorus waves accelerate the suprathermalmore » electrons via Landau resonance, and generate a localized electron beam in phase space density. Consequently, the Langmuir waves are excited locally and are modulated by the chorus wave phase. As a result, this microscale interaction between chorus waves and high frequency electrostatic waves provides a new insight into the nonlinear wave-particle interaction process.« less

Experimental Study of Internal Waves and Vortices Past 2d Obstacles In A Continuously Stratified Fluid

NASA Astrophysics Data System (ADS)

Mitkin, V.

Experimental investigations of fine and macroscopic structures of density and veloc- ity disturbances generated by a towing cylinder or a vertical strip in a linearly strati- fied liquid are carried out in a rectangular tank. A density gradient field is visualised by different Schlieren methods (direct shadow, 'slit-knife', 'slit-thread', 'natural rain- bow') characterised by a high spatial resolution. Profiles of fluid velocity are visu- alised by density markers U wakes past a vertically descending sugar crystal or an ascending gas bubble. In a fluid at rest the density marker acts as a vertical linear source of internal oscillations, which allows us to measure buoyancy frequency over all depth by the Schlieren instrument directly or by a conductivity probe in a particular point. Sensitive methods reveal a set of high gradient interfaces inside and outside the downstream wake besides well-known large-scale elements: upstream disturbances, attached internal waves and vortices. High gradient interfaces bound compact vor- tices. Vortices moving with respect to environment emit their own systems of internal waves randomising a regular pattern of attached antisymmetric internal waves. But after a rather long time a wave recurrence occurs and a regular but symmetric struc- ture of the longest waves (similar to the pattern of initial attached internal waves) is observed again. Results of studying of the influence of obstacles shape on phase struc- ture and amplitudes of attached internal waves field, vortex formation, their structure and characteristics are presented.

Density reconstruction in multiparameter elastic full-waveform inversion

NASA Astrophysics Data System (ADS)

Sun, Min'ao; Yang, Jizhong; Dong, Liangguo; Liu, Yuzhu; Huang, Chao

2017-12-01

Elastic full-waveform inversion (EFWI) is a quantitative data fitting procedure that recovers multiple subsurface parameters from multicomponent seismic data. As density is involved in addition to P- and S-wave velocities, the multiparameter EFWI suffers from more serious tradeoffs. In addition, compared with P- and S-wave velocities, the misfit function is less sensitive to density perturbation. Thus, a robust density reconstruction remains a difficult problem in multiparameter EFWI. In this paper, we develop an improved scattering-integral-based truncated Gauss-Newton method to simultaneously recover P- and S-wave velocities and density in EFWI. In this method, the inverse Gauss-Newton Hessian has been estimated by iteratively solving the Gauss-Newton equation with a matrix-free conjugate gradient algorithm. Therefore, it is able to properly handle the parameter tradeoffs. To give a detailed illustration of the tradeoffs between P- and S-wave velocities and density in EFWI, wavefield-separated sensitivity kernels and the Gauss-Newton Hessian are numerically computed, and their distribution characteristics are analyzed. Numerical experiments on a canonical inclusion model and a modified SEG/EAGE Overthrust model have demonstrated that the proposed method can effectively mitigate the tradeoff effects, and improve multiparameter gradients. Thus, a high convergence rate and an accurate density reconstruction can be achieved.

No Flares from Gamma-Ray Burst Afterglow Blast Waves Encountering Sudden Circumburst Density Change

NASA Astrophysics Data System (ADS)

Gat, Ilana; van Eerten, Hendrik; MacFadyen, Andrew

2013-08-01

Afterglows of gamma-ray bursts are observed to produce light curves with the flux following power-law evolution in time. However, recent observations reveal bright flares at times on the order of minutes to days. One proposed explanation for these flares is the interaction of a relativistic blast wave with a circumburst density transition. In this paper, we model this type of interaction computationally in one and two dimensions, using a relativistic hydrodynamics code with adaptive mesh refinement called RAM, and analytically in one dimension. We simulate a blast wave traveling in a stellar wind environment that encounters a sudden change in density, followed by a homogeneous medium, and compute the observed radiation using a synchrotron model. We show that flares are not observable for an encounter with a sudden density increase, such as a wind termination shock, nor for an encounter with a sudden density decrease. Furthermore, by extending our analysis to two dimensions, we are able to resolve the spreading, collimation, and edge effects of the blast wave as it encounters the change in circumburst medium. In all cases considered in this paper, we find that a flare will not be observed for any of the density changes studied.

Surface Current Density Mapping for Identification of Gastric Slow Wave Propagation

PubMed Central

Bradshaw, L. A.; Cheng, L. K.; Richards, W. O.; Pullan, A. J.

2009-01-01

The magnetogastrogram records clinically relevant parameters of the electrical slow wave of the stomach noninvasively. Besides slow wave frequency, gastric slow wave propagation velocity is a potentially useful clinical indicator of the state of health of gastric tissue, but it is a difficult parameter to determine from noninvasive bioelectric or biomagnetic measurements. We present a method for computing the surface current density (SCD) from multichannel magnetogastrogram recordings that allows computation of the propagation velocity of the gastric slow wave. A moving dipole source model with hypothetical as well as realistic biomagnetometer parameters demonstrates that while a relatively sparse array of magnetometer sensors is sufficient to compute a single average propagation velocity, more detailed information about spatial variations in propagation velocity requires higher density magnetometer arrays. Finally, the method is validated with simultaneous MGG and serosal EMG measurements in a porcine subject. PMID:19403355

Transmission and reflection of charge-density wave packets in a quantum Hall edge controlled by a metal gate

NASA Astrophysics Data System (ADS)

Matsuura, Masahiro; Mano, Takaaki; Noda, Takeshi; Shibata, Naokazu; Hotta, Masahiro; Yusa, Go

2018-02-01

Quantum energy teleportation (QET) is a proposed protocol related to quantum vacuum. The edge channels in a quantum Hall system are well suited for the experimental verification of QET. For this purpose, we examine a charge-density wave packet excited and detected by capacitively coupled front gate electrodes. We observe the waveform of the charge packet, which is proportional to the time derivative of the applied square voltage wave. Further, we study the transmission and reflection behaviors of the charge-density wave packet by applying a voltage to another front gate electrode to control the path of the edge state. We show that the threshold voltages where the dominant direction is switched in either transmission or reflection for dense and sparse wave packets are different from the threshold voltage where the current stops flowing in an equilibrium state.

Relationship between the Geotail spacecraft potential and the magnetospheric electron number density including the distant tail regions

NASA Astrophysics Data System (ADS)

Ishisaka, K.; Okada, T.; Tsuruda, K.; Hayakawa, H.; Mukai, T.; Matsumoto, H.

2001-04-01

The spacecraft potential has been used to derive the electron number density surrounding the spacecraft in the magnetosphere and solar wind. We have investigated the correlation between the spacecraft potential of the Geotail spacecraft and the electron number density derived from the plasma waves in the solar wind and almost all the regions of the magnetosphere, except for the high-density plasmasphere, and obtained an empirical formula to show their relation. The new formula is effective in the range of spacecraft potential from a few volts up to 90 V, corresponding to the electron number density from 0.001 to 50 cm-3. We compared the electron number density obtained by the empirical formula with the density obtained by the plasma wave and plasma particle measurements. On occasions the density determined by plasma wave measurements in the lobe region is different from that calculated by the empirical formula. Using the difference in the densities measured by two methods, we discuss whether or not the lower cutoff frequency of the plasma waves, such as continuum radiation, indicates the local electron density near the spacecraft. Then we applied the new relation to the spacecraft potential measured by the Geotail spacecraft during the period from October 1993 to December 1995, and obtained the electron spatial distribution in the solar wind and magnetosphere, including the distant tail region. Higher electron number density is clearly observed on the dawnside than on the duskside of the magnetosphere in the distant tail beyond 100RE.

FT-IR, FT-Raman and NMR characterization of 2-isopropyl-5-methylcyclohexyl quinoline-2-carboxylate and investigation of its reactive and optoelectronic properties by molecular dynamics simulations and DFT calculations

NASA Astrophysics Data System (ADS)

Menon, Vidya V.; Fazal, Edakot; Mary, Y. Sheena; Panicker, C. Yohannan; Armaković, Stevan; Armaković, Sanja J.; Nagarajan, Subban; Van Alsenoy, C.

2017-01-01

The FT-IR and FT-Raman spectra of the synthesized compound, 2-isopropyl-5-methylcyclohexyl quinoline-2-carboxylate is recorded and analyzed. Optimized molecular structure, wave numbers, corresponding assignments regarding 2-isopropyl-5-methylcyclohexyl quinoline-2-carboxylate has become screened tentatively as well as hypothetically using Gaussian09 program package. Natural bonding orbital assessment has been completed with a reason to clarify charge transfer or conjugative interaction, the intra-molecular re-hybridization and delocalization of electron density within the molecule. The NMR spectral assessment had been made choosing structure property relationship by chemical shifts along with the magnetic shielding effects regarding the title compound. The first and second hyperpolarizabilities were calculated. The calculated first order hyperpolarizability is commensurate with the documented worth of very similar derivatives and could be an interesting object for more experiments on nonlinear optics. Local reactivity properties have been investigated using average local ionization energies and Fukui functions. Investigation of optoelectronic properties encompassed calculations of reorganization energies and hopping rates of charge carriers within the framework of Marcus semi-empiric approach. The docked ligand title compound forms a stable complex with CDK inhibitors and gives a binding affinity value of -9.7 kcal/mol and molecular docking results suggest that the compound might exhibit inhibitory activity against CDK inhibitors.

Kinetic Alfven wave with density variation and loss-cone distribution function of multi-ions in PSBL region

NASA Astrophysics Data System (ADS)

Tamrakar, Radha; Varma, P.; Tiwari, M. S.

2018-05-01

Kinetic Alfven wave (KAW) generation due to variation of loss-cone index J and density of multi-ions (H+, He+ and O+) in the plasma sheet boundary layer region (PSBL) is investigated. Kinetic approach is used to derive dispersion relation of wave using Vlasov equation. Variation of frequency with respect to wide range of k⊥ρi (where k⊥ is wave vector across the magnetic field, ρi is gyroradius of ions and i denotes H+, He+ and O+ ions) is analyzed. It is found that each ion gyroradius and number density shows different effect on wave generation with varying width of loss-cone. KAW is generated with multi-ions (H+, He+ and O+) over wide regime for J=1 and shows dissimilar effect for J=2. Frequency is reduced with increasing density of gyrating He+ and O+ ions. Wave frequency is obtained within the reported range which strongly supports generation of kinetic Alfven waves. A sudden drop of frequency is also observed for H+ and He+ ion which may be due to heavy penetration of these ions through the loss-cone. The parameters of PSBL region are used for numerical calculation. The application of these results are in understanding the effect of gyrating multi-ions in transfer of energy and Poynting flux losses from PSBL region towards ionosphere and also describing the generation of aurora.

[Physical and mechanical properties of the thermosetting resin for crown and bridge cured by micro-wave heating].

PubMed

Kaneko, K

1989-09-01

A heating method using micro-waves was utilized to obtain strong thermosetting resin for crown and bridge. The physical and mechanical properties of the thermosetting resin were examined. The resin was cured in a shorter time by the micro-waves heating method than by the conventional heat curing method and the working time was reduced markedly. The base resins of the thermosetting resin for crown and bridge for the micro-waves heating method were 2 PA and diluent 3 G. A compounding volume of 30 wt% for diluent 3 G was considered good the results of compressive strength, bending strength and diametral tensile strength. Grams of 200-230 of the filler compounded to the base resins of 2 PA-3 G system provided optimal compressive strength, bending strength and diametral tensile strength. A filler gram of 230 provided optimal hardness and curing shrinkage rate, the coefficient of thermal expansion became smaller with the increase of the compounding volume of the filler. The trial thermosetting resin for crown and bridge formed by the micro-waves heating method was not inferior to the conventional resin by the heat curing method or the light curing method.

Quantitative photoacoustic imaging in the acoustic regime using SPIM

NASA Astrophysics Data System (ADS)

Beigl, Alexander; Elbau, Peter; Sadiq, Kamran; Scherzer, Otmar

2018-05-01

While in standard photoacoustic imaging the propagation of sound waves is modeled by the standard wave equation, our approach is based on a generalized wave equation with variable sound speed and material density, respectively. In this paper we present an approach for photoacoustic imaging, which in addition to the recovery of the absorption density parameter, the imaging parameter of standard photoacoustics, also allows us to reconstruct the spatially varying sound speed and density, respectively, of the medium. We provide analytical reconstruction formulas for all three parameters based in a linearized model based on single plane illumination microscopy (SPIM) techniques.

High magnetic field studies of the charge density wave state of the quasi-two-dimensional conductor KMO 6O 17

NASA Astrophysics Data System (ADS)

Dumas, Jean; Guyot, Hervé; Balaska, Hafid; Marcus, Jacques; Vignolles, David; Sheikin, Ilya; Audouard, Alain; Brossard, Luc; Schlenker, Claire

2004-04-01

Magnetic torque and magnetoresistance measurements have been performed in high magnetic field on the quasi-two-dimensional charge density wave (CDW) oxide bronze KMo 6O 17 . Several anomalies have been found below 28 T either on the torque or on the magnetoresistance data. They can be attributed predominantly to orbital effects. Magnetoresistance data obtained up to 55 T show that a transition takes place above 30 T. This transition may be due to the Pauli coupling. The new field-induced density wave state exhibits Shubnikov-de Haas (SdH) oscillations.

NMR and NQR parameters of ethanol crystal

NASA Astrophysics Data System (ADS)

Milinković, M.; Bilalbegović, G.

2012-04-01

Electric field gradients and chemical shielding tensors of the stable monoclinic crystal phase of ethanol are computed. The projector-augmented wave (PAW) and gauge-including projector-augmented wave (GIPAW) models in the periodic plane-wave density functional theory are used. The crystal data from X-ray measurements, as well as the structures where either all atomic, or only hydrogen atom positions are optimized in the density functional theory are analyzed. These structural models are also studied by including the semi-empirical van der Waals correction to the density functional theory. Infrared spectra of these five crystal models are calculated.

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

NASA Astrophysics Data System (ADS)

Sahariya, Jagrati; Soni, Amit; Kumar, Pancham

2018-04-01

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

Anomalous electron doping independent two-dimensional superconductivity

NASA Astrophysics Data System (ADS)

Zhou, Wei; Xing, Xiangzhuo; Zhao, Haijun; Feng, Jiajia; Pan, Yongqiang; Zhou, Nan; Zhang, Yufeng; Qian, Bin; Shi, Zhixiang

2017-07-01

Transition metal (Co and Ni) co-doping effects are investigated on an underdoped Ca0.94La0.06Fe2As2 compound. It is discovered that electron doping from substituting Fe with transition metal (TM = Co, Ni) can trigger high-{T}{{c}} superconductivity around 35 K, which emerges abruptly before the total suppression of the innate spin-density-wave/anti-ferromagnetism (SDW/AFM) state. Remarkably, the critical temperature for the high-{T}{{c}} superconductivity remains constant against a wide range of TM doping levels. And the net electron doping density dependence of the superconducting {T}{{c}} based on the rigid band model can be nicely scaled into a single curve for Co and Ni substitutions, in stark contrast to the case of Ba(Fe1-x TM x )2As2. This carrier density independent superconductivity and the unusual scaling behavior are presumably resulted from the interface superconductivity based on the similarity with the interface superconductivity in a La2-x Sr x CuO4-La2CuO4 bilayer. Evidence of the two-dimensional character of the superfluid by angle-resolved magneto-resistance measurements can further strengthen the interface nature of the high-{T}{{c}} superconductivity.

Revealing plasma oscillation in THz spectrum from laser plasma of molecular jet.

PubMed

Li, Na; Bai, Ya; Miao, Tianshi; Liu, Peng; Li, Ruxin; Xu, Zhizhan

2016-10-03

Contribution of plasma oscillation to the broadband terahertz (THz) emission is revealed by interacting two-color (ω/2ω) laser pulses with a supersonic jet of nitrogen molecules. Temporal and spectral shifts of THz waves are observed as the plasma density varies. The former owes to the changing refractive index of the THz waves, and the latter correlates to the varying plasma frequency. Simulation of considering photocurrents, plasma oscillation and decaying plasma density explains the broadband THz spectrum and the varying THz spectrum. Plasma oscillation only contributes to THz waves at low plasma density owing to negligible plasma absorption. At the longer medium or higher density, the combining effects of plasma oscillation and absorption results in the observed low-frequency broadband THz spectra.

Double-Wronskian solitons and rogue waves for the inhomogeneous nonlinear Schrödinger equation in an inhomogeneous plasma

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

Sun, Wen-Rong; Tian, Bo, E-mail: tian_bupt@163.com; Jiang, Yan

2014-04-15

Plasmas are the main constituent of the Universe and the cause of a vast variety of astrophysical, space and terrestrial phenomena. The inhomogeneous nonlinear Schrödinger equation is hereby investigated, which describes the propagation of an electron plasma wave packet with a large wavelength and small amplitude in a medium with a parabolic density and constant interactional damping. By virtue of the double Wronskian identities, the equation is proved to possess the double-Wronskian soliton solutions. Analytic one- and two-soliton solutions are discussed. Amplitude and velocity of the soliton are related to the damping coefficient. Asymptotic analysis is applied for us tomore » investigate the interaction between the two solitons. Overtaking interaction, head-on interaction and bound state of the two solitons are given. From the non-zero potential Lax pair, the first- and second-order rogue-wave solutions are constructed via a generalized Darboux transformation, and influence of the linear and parabolic density profiles on the background density and amplitude of the rogue wave is discussed. -- Highlights: •Double-Wronskian soliton solutions are obtained and proof is finished by virtue of some double Wronskian identities. •Asymptotic analysis is applied for us to investigate the interaction between the two solitons. •First- and second-order rogue-wave solutions are constructed via a generalized Darboux transformation. •Influence of the linear and parabolic density profiles on the background density and amplitude of the rogue wave is discussed.« less

Atmospheric gravity waves with small vertical-to-horizotal wavelength ratios

NASA Astrophysics Data System (ADS)

Song, I. S.; Jee, G.; Kim, Y. H.; Chun, H. Y.

2017-12-01

Gravity wave modes with small vertical-to-horizontal wavelength ratios of an order of 10-3 are investigated through the systematic scale analysis of governing equations for gravity wave perturbations embedded in the quasi-geostrophic large-scale flow. These waves can be categorized as acoustic gravity wave modes because their total energy is given by the sum of kinetic, potential, and elastic parts. It is found that these waves can be forced by density fluctuations multiplied by the horizontal gradients of the large-scale pressure (geopotential) fields. These theoretical findings are evaluated using the results of a high-resolution global model (Specified Chemistry WACCM with horizontal resolution of 25 km and vertical resolution of 600 m) by computing the density-related gravity-wave forcing terms from the modeling results.

Correlation techniques and measurements of wave-height statistics

NASA Technical Reports Server (NTRS)

Guthart, H.; Taylor, W. C.; Graf, K. A.; Douglas, D. G.

1972-01-01

Statistical measurements of wave height fluctuations have been made in a wind wave tank. The power spectral density function of temporal wave height fluctuations evidenced second-harmonic components and an f to the minus 5th power law decay beyond the second harmonic. The observations of second harmonic effects agreed very well with a theoretical prediction. From the wave statistics, surface drift currents were inferred and compared to experimental measurements with satisfactory agreement. Measurements were made of the two dimensional correlation coefficient at 15 deg increments in angle with respect to the wind vector. An estimate of the two-dimensional spatial power spectral density function was also made.

Elastic metamaterials with simultaneously negative effective shear modulus and mass density.

PubMed

Wu, Ying; Lai, Yun; Zhang, Zhao-Qing

2011-09-02

We propose a type of elastic metamaterial comprising fluid-solid composite inclusions which can possess a negative shear modulus and negative mass density over a large frequency region. Such a material has the unique property that only transverse waves can propagate with a negative dispersion while longitudinal waves are forbidden. This leads to many interesting phenomena such as negative refraction, which is demonstrated by using a wedge sample and a significant amount of mode conversion from transverse waves to longitudinal waves that cannot occur on the interface of two natural solids.

Observations of internal waves in the Gulf of California by SEASAT SAR

NASA Technical Reports Server (NTRS)

Fu, L. L.; Holt, B.

1983-01-01

Internal waves which are among the most commonly observed oceanic phenomena in the SEASAT SAR imagery are discussed. These waves are associated with the vertical displacements of constant water density surfaces in the ocean. Their amplitudes are maximum at depths where the water density changes most rapidly usually at depths from 50 to 100 m, whereas the horizontal currents associated with these waves are maximum at the sea surface where the resulting oscillatory currents modulate the sea surface roughness and produce the signatures detected by SAR.

Observations of internal waves in the Gulf of California by SEASAT SAR

NASA Astrophysics Data System (ADS)

Fu, L. L.; Holt, B.

1983-07-01

Internal waves which are among the most commonly observed oceanic phenomena in the SEASAT SAR imagery are discussed. These waves are associated with the vertical displacements of constant water density surfaces in the ocean. Their amplitudes are maximum at depths where the water density changes most rapidly usually at depths from 50 to 100 m, whereas the horizontal currents associated with these waves are maximum at the sea surface where the resulting oscillatory currents modulate the sea surface roughness and produce the signatures detected by SAR.

Kinetic-scale fluctuations resolved with the Fast Plasma Investigation on NASA's Magnetospheric Multiscale mission.

NASA Astrophysics Data System (ADS)

Gershman, D. J.; Figueroa-Vinas, A.; Dorelli, J.; Goldstein, M. L.; Shuster, J. R.; Avanov, L. A.; Boardsen, S. A.; Stawarz, J. E.; Schwartz, S. J.; Schiff, C.; Lavraud, B.; Saito, Y.; Paterson, W. R.; Giles, B. L.; Pollock, C. J.; Strangeway, R. J.; Russell, C. T.; Torbert, R. B.; Moore, T. E.; Burch, J. L.

2017-12-01

Measurements from the Fast Plasma Investigation (FPI) on NASA's Magnetospheric Multiscale (MMS) mission have enabled unprecedented analyses of kinetic-scale plasma physics. FPI regularly provides estimates of current density and pressure gradients of sufficient accuracy to evaluate the relative contribution of terms in plasma equations of motion. In addition, high-resolution three-dimensional velocity distribution functions of both ions and electrons provide new insights into kinetic-scale processes. As an example, for a monochromatic kinetic Alfven wave (KAW) we find non-zero, but out-of-phase parallel current density and electric field fluctuations, providing direct confirmation of the conservative energy exchange between the wave field and particles. In addition, we use fluctuations in current density and magnetic field to calculate the perpendicular and parallel wavelengths of the KAW. Furthermore, examination of the electron velocity distribution inside the KAW reveals a population of electrons non-linearly trapped in the kinetic-scale magnetic mirror formed between successive wave peaks. These electrons not only contribute to the wave's parallel electric field but also account for over half of the density fluctuations within the wave, supplying an unexpected mechanism for maintaining quasi-neutrality in a KAW. Finally, we demonstrate that the employed wave vector determination technique is also applicable to broadband fluctuations found in Earth's turbulent magnetosheath.

Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems.

PubMed

Gagliardi, Laura; Truhlar, Donald G; Li Manni, Giovanni; Carlson, Rebecca K; Hoyer, Chad E; Bao, Junwei Lucas

2017-01-17

The electronic energy of a system provides the Born-Oppenheimer potential energy for internuclear motion and thus determines molecular structure and spectra, bond energies, conformational energies, reaction barrier heights, and vibrational frequencies. The development of more efficient and more accurate ways to calculate the electronic energy of systems with inherently multiconfigurational electronic structure is essential for many applications, including transition metal and actinide chemistry, systems with partially broken bonds, many transition states, and most electronically excited states. Inherently multiconfigurational systems are called strongly correlated systems or multireference systems, where the latter name refers to the need for using more than one ("multiple") configuration state function to provide a good zero-order reference wave function. This Account describes multiconfiguration pair-density functional theory (MC-PDFT), which was developed as a way to combine the advantages of wave function theory (WFT) and density functional theory (DFT) to provide a better treatment of strongly correlated systems. First we review background material: the widely used Kohn-Sham DFT (which uses only a single Slater determinant as reference wave function), multiconfiguration WFT methods that treat inherently multiconfigurational systems based on an active space, and previous attempts to combine multiconfiguration WFT with DFT. Then we review the formulation of MC-PDFT. It is a generalization of Kohn-Sham DFT in that the electron kinetic energy and classical electrostatic energy are calculated from a reference wave function, while the rest of the energy is obtained from a density functional. However, there are two main differences with respent to Kohn-Sham DFT: (i) The reference wave function is multiconfigurational rather than being a single Slater determinant. (ii) The density functional is a function of the total density and the on-top pair density rather than being a function of the spin-up and spin-down densities. In work carried out so far, the multiconfigurational wave function is a multiconfiguration self-consistent-field wave function. The new formulation has the advantage that the reference wave function has the correct spatial and spin symmetry and can describe bond dissociation (of both single and multiple bonds) and electronic excitations in a formally and physically correct way. We then review the formulation of density functionals in terms of the on-top pair density. Finally we review successful applications of the theory to bond energies and bond dissociation potential energy curves of main-group and transition metal bonds, to barrier heights (including pericyclic reactions), to proton affinities, to the hydrogen bond energy of water dimer, to ground- and excited-state charge transfer, to valence and Rydberg excitations of molecules, and to singlet-triplet splittings of radicals. We find that that MC-PDFT can give accurate results not only with complete-active-space multiconfiguration wave functions but also with generalized-active-space multiconfiguration wave functions, which are practical for larger numbers of active electrons and active orbitals than are complete-active-space wave functions. The separated-pair approximation, which is a special case of generalized active space self-consistent-field theory, is especially promising. MC-PDFT, because it requires much less computer time and storage than pure WFT methods, has the potential to open larger and more complex strongly correlated systems to accurate simulation.

The response of plasma density to breaking inertial gravity wave in the lower regions of ionosphere

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

Tang, Wenbo, E-mail: Wenbo.Tang@asu.edu; Mahalov, Alex, E-mail: Alex.Mahalov@asu.edu

2014-04-15

We present a three-dimensional numerical study for the E and lower F region ionosphere coupled with the neutral atmosphere dynamics. This model is developed based on a previous ionospheric model that examines the transport patterns of plasma density given a prescribed neutral atmospheric flow. Inclusion of neutral dynamics in the model allows us to examine the charge-neutral interactions over the full evolution cycle of an inertial gravity wave when the background flow spins up from rest, saturates and eventually breaks. Using Lagrangian analyses, we show the mixing patterns of the ionospheric responses and the formation of ionospheric layers. The correspondingmore » plasma density in this flow develops complex wave structures and small-scale patches during the gravity wave breaking event.« less

Two-gap superconductivity in Mo8Ga41 and its evolution upon vanadium substitution

NASA Astrophysics Data System (ADS)

Verchenko, V. Yu.; Khasanov, R.; Guguchia, Z.; Tsirlin, A. A.; Shevelkov, A. V.

2017-10-01

Zero-field and transverse-field muon spin rotation/relaxation (μ SR ) experiments were undertaken in order to elucidate the microscopic properties of a strongly coupled superconductor Mo8Ga41 with Tc=9.8 K. The upper critical field extracted from the transverse-field μ SR data exhibits significant reduction with respect to the data from thermodynamic measurements indicating the coexistence of two independent length scales in the superconducting state. Accordingly, the temperature-dependent magnetic penetration depth of Mo8Ga41 is described using a model in which two s wave superconducting gaps are assumed. A V for Mo substitution in the parent compound leads to the complete suppression of one superconducting gap, and Mo7VGa41 is well described within the single s wave gap scenario. The reduction in the superfluid density and the evolution of the low-temperature resistivity upon V substitution indicate the emergence of a competing state in Mo7VGa41 that may be responsible for the closure of one of the superconducting gaps.

ESR, electrochemical and cyclodextrin-inclusion studies of triazolopyridyl pyridyl ketones and dipyridyl ketones derivatives

NASA Astrophysics Data System (ADS)

Olea-Azar, C.; Abarca, B.; Norambuena, E.; Opazo, L.; Jullian, C.; Valencia, S.; Ballesteros, R.; Chadlaoui, M.

2008-11-01

The electron spin resonance (ESR) spectra of free radicals obtained by electrolytic reduction of triazolopyridyl pyridyl ketones and dipyridyl ketones derivatives were measured in dimethylsulfoxide (DMSO). The hyperfine patterns indicate that the spin density delocalization is dependent of the rings presented in the molecule. The electrochemistry of these compounds was characterized using cyclic voltammetry, in DMSO as solvent. When one carbonyl is present in the molecule one step in the reduction mechanism was observed while two carbonyl are present two steps were detected. The first wave was assigned to the generation of the correspondent free radical species, and the second wave was assigned to the dianion derivatives. The phase-solubility measurements indicated an interaction between molecules selected and cyclodextrins in water. These inclusion complexes are 1:1 with βCD, and HP-βCD. The values of Ks showed a different kind of complexes depending on which rings are included. AM1 and DFT calculations were performed to obtain the optimized geometries, theoretical hyperfine constants, and spin distributions, respectively. The theoretical results are in complete agreement with the experimental ones.

Magnetic spiral induced by strong correlations in MnAu2

NASA Astrophysics Data System (ADS)

Glasbrenner, J. K.; Bussmann, K. M.; Mazin, I. I.

2014-10-01

The compound MnAu2 is one of the oldest known spin-spiral materials, yet the nature of the spiral state is still not clear. The spiral cannot be explained via relativistic effects due to the short pitch of the spiral and the weakness of the spin-orbit interaction in Mn, and another common mechanism, nesting, is ruled out as direct calculations show no features at the relevant wave vector. We propose that the spiral state is induced by a competition between the short-range antiferromagnetic exchange and a long-range interaction induced by the polarization of Au bands, similar to double exchange. We find that, contrary to earlier reports, the ground state in standard density functional theory is ferromagnetic, i.e., the latter interaction dominates. However, an accounting for Coulomb correlations via a Hubbard U suppresses the Schrieffer-Wolff-type s-d magnetic interaction between Mn and Au faster than the superexchange interaction, favoring a spin-spiral state. For realistic values of U, the resulting spiral wave vector is in close agreement with experiment.

The Case for Massive and Ancient Rings of Saturn

NASA Astrophysics Data System (ADS)

Esposito, Larry W.

2016-10-01

Analysis of Voyager and Pioneer 11 results give a mass for Saturn's rings, M = 5 x 10-8 Msat. This is about the mass of Saturn's small moon Mimas. This has been interpreted as a lower limit to the ring mass (Esposito et al 1983), since the thickest parts of the rings were not penetrated by the stellar occultstion, and this calculation assumes an unvarying particle size throughout the rings. Because the rings are constantly bombarded by micrometeroids, their current composition of nearly pure water ice implies such low mass rings must have formed recently. The case is particularly strong for Saturn's A ring, where the data are the best, implying the A ring is less than 10% of the age of the Saturn (Esposito 1986). Cassini results compound this problem. UVIS spectra are consistent with either young rings or rings about 10x as massive as the Voyager estimate (Elliott and Esposito (2011). CDA confirms the impacting mass flux is similar to that assumed for the pollution calculations (Kempf etal 2015). VIMS analysis of density wave signatures in the B ring gives a value of about 1/3 the Voyager value (Hedmann etal 2016). This VIMS result implies the rings are even younger! The problem is that young rings are very unlikely to be formed recently, meaning that we live in a very special epoch, following some unlikely recent origin… like disruption of a medium sized moon or capture of the fragments of a disrupted comet (Charnoz etal 2009).To take the VIMS results at face value, Saturn's low mass rings must be very young. The optically thick B ring must be made of small, porous or fractal particles. An alternative is that we accept the higher mass interpretation of the Pioneer 11 results (Esposito etal 2008) using the granola bar model of Colwell etal 2007. This would imply that the density wave structure seen by VIMS is not sensing all the mass in the rings, where structure near strong resonances is dominted by temporary aggregates, and where non-linear effects cause the particles to jam (Lewis and Stewart 2009). The density waves may be seeing the mass density in the gaps between self-gravity wakes, whose optical depth is roughly contant and considerably lower than the total B ring opacity (Colwell etal 2007).

On a new scenario for the saturation of the low-threshold two-plasmon parametric decay instability of an extraordinary wave in the inhomogeneous plasma of magnetic traps

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

Gusakov, E. Z., E-mail: Evgeniy.Gusakov@mail.ioffe.ru; Popov, A. Yu., E-mail: a.popov@mail.ioffe.ru; Irzak, M. A., E-mail: irzak@mail.ioffe.ru

The most probable scenario for the saturation of the low-threshold two-plasmon parametric decay instability of an electron cyclotron extraordinary wave has been analyzed. Within this scenario two upperhybrid plasmons at frequencies close to half the pump wave frequency radially trapped in the vicinity of the local maximum of the plasma density profile are excited due to the excitation of primary instability. The primary instability saturation results from the decays of the daughter upper-hybrid waves into secondary upperhybrid waves that are also radially trapped in the vicinity of the local maximum of the plasma density profile and ion Bernstein waves.

Density Wave Signatures In VIMS Spectral Data

NASA Astrophysics Data System (ADS)

Nicholson, Philip D.; Hedman, M. M.; Cassini VIMS Team

2012-10-01

Spectral scans of Saturn's rings by the Cassini VIMS instrument have revealed both regional and local variations in the depths of the water ice bands at 1.5 and 2.0 microns, which have been interpreted in terms of variations in regolith grain size and the amount of non-icy "contaminants" (Filacchione et al. 2012; Hedman et al. 2012). Noteworthy among the local variations are distinctive patterns associated with the four strong density waves in the A ring. Within each wavetrain there is a peak in band strength relative to the surrounding material, while extending on both sides of the wave is a "halo" of reduced band strength. The typical width of these haloes is 400-500 km, about 2-3 times the visible extent of the density waves. The origin of these features is unknown, but may involve enhanced collisional erosion in the wave zones and transport of the smaller debris into nearby regions. A similar pattern of band depth variations is also seen at several locations in the more opaque B ring in association with the strong 3:2 ILRs of Janus, Pandora and Prometheus. The former shows a pattern just like its siblings in the A ring, while the latter two resonances show haloes, but without central peaks. In each case, the radial widths of the halo approaches 1000 km, but stellar occultation profiles show no detectable density wavetrain. We suggest that this spectral signature may be a useful diagnostic for the presence of strong density waves in regions where the rings are too opaque for occultations to reveal a typical wave profile. More speculatively, the displacement of the haloes' central radii from the calculated ILR locations of 600-700 km could imply a surface density in the central B ring in excess of 500 g/cm^2. This research was supported by the Cassini/Huygens project.

Observation and simulation of the ionosphere disturbance waves triggered by rocket exhausts

NASA Astrophysics Data System (ADS)

Lin, Charles C. H.; Chen, Chia-Hung; Matsumura, Mitsuru; Lin, Jia-Ting; Kakinami, Yoshihiro

2017-08-01

Observations and theoretical modeling of the ionospheric disturbance waves generated by rocket launches are investigated. During the rocket passage, time rate change of total electron content (rTEC) enhancement with the V-shape shock wave signature is commonly observed, followed by acoustic wave disturbances and region of negative rTEC centered along the trajectory. Ten to fifteen min after the rocket passage, delayed disturbance waves appeared and propagated along direction normal to the V-shape wavefronts. These observation features appeared most prominently in the 2016 North Korea rocket launch showing a very distinct V-shape rTEC enhancement over enormous areas along the southeast flight trajectory despite that it was also appeared in the 2009 North Korea rocket launch with the eastward flight trajectory. Numerical simulations using the physical-based nonlinear and nonhydrostatic coupled model of neutral atmosphere and ionosphere reproduce promised results in qualitative agreement with the characteristics of ionospheric disturbance waves observed in the 2009 event by considering the released energy of the rocket exhaust as the disturbance source. Simulations reproduce the shock wave signature of electron density enhancement, acoustic wave disturbances, the electron density depletion due to the rocket-induced pressure bulge, and the delayed disturbance waves. The pressure bulge results in outward neutral wind flows carrying neutrals and plasma away from it and leading to electron density depletions. Simulations further show, for the first time, that the delayed disturbance waves are produced by the surface reflection of the earlier arrival acoustic wave disturbances.

Variable dual-frequency electrostatic wave launcher for plasma applications.

PubMed

Jorns, Benjamin; Sorenson, Robert; Choueiri, Edgar

2011-12-01

A variable tuning system is presented for launching two electrostatic waves concurrently in a magnetized plasma. The purpose of this system is to satisfy the wave launching requirements for plasma applications where maximal power must be coupled into two carefully tuned electrostatic waves while minimizing erosion to the launching antenna. Two parallel LC traps with fixed inductors and variable capacitors are used to provide an impedance match between a two-wave source and a loop antenna placed outside the plasma. Equivalent circuit analysis is then employed to derive an analytical expression for the normalized, average magnetic flux density produced by the antenna in this system as a function of capacitance and frequency. It is found with this metric that the wave launcher can couple to electrostatic modes at two variable frequencies concurrently while attenuating noise from the source signal at undesired frequencies. An example based on an experiment for plasma heating with two electrostatic waves is used to demonstrate a procedure for tailoring the wave launcher to accommodate the frequency range and flux densities of a specific two-wave application. This example is also used to illustrate a method based on averaging over wave frequencies for evaluating the overall efficacy of the system. The wave launcher is shown to be particularly effective for the illustrative example--generating magnetic flux densities in excess of 50% of the ideal case at two variable frequencies concurrently--with a high adaptability to a number of plasma dynamics and heating applications.

Supermode-density-wave-polariton condensation with a Bose–Einstein condensate in a multimode cavity

PubMed Central

Kollár, Alicia J.; Papageorge, Alexander T.; Vaidya, Varun D.; Guo, Yudan; Keeling, Jonathan; Lev, Benjamin L.

2017-01-01

Phase transitions, where observable properties of a many-body system change discontinuously, can occur in both open and closed systems. By placing cold atoms in optical cavities and inducing strong coupling between light and excitations of the atoms, one can experimentally study phase transitions of open quantum systems. Here we observe and study a non-equilibrium phase transition, the condensation of supermode-density-wave polaritons. These polaritons are formed from a superposition of cavity photon eigenmodes (a supermode), coupled to atomic density waves of a quantum gas. As the cavity supports multiple photon spatial modes and because the light–matter coupling can be comparable to the energy splitting of these modes, the composition of the supermode polariton is changed by the light–matter coupling on condensation. By demonstrating the ability to observe and understand density-wave-polariton condensation in the few-mode-degenerate cavity regime, our results show the potential to study similar questions in fully multimode cavities. PMID:28211455

Damping of quasiparticles in a Bose-Einstein condensate coupled to an optical cavity

NASA Astrophysics Data System (ADS)

Kónya, G.; Szirmai, G.; Domokos, P.

2014-07-01

We present a general theory for calculating the damping rate of elementary density-wave excitations in a Bose-Einstein condensate strongly coupled to a single radiation field mode of an optical cavity. Thereby we give a detailed derivation of the huge resonant enhancement in the Beliaev damping of a density-wave mode, predicted recently by Kónya et al. [Phys. Rev. A 89, 051601(R) (2014), 10.1103/PhysRevA.89.051601]. The given density-wave mode constitutes the polaritonlike soft mode of the self-organization phase transition. The resonant enhancement takes place, in both the normal and the ordered phases, outside the critical region. We show that the large damping rate is accompanied by a significant frequency shift of this polariton mode. Going beyond the Born-Markov approximation and determining the poles of the retarded Green's function of the polariton, we reveal a strong coupling between the polariton and a collective mode in the phonon bath formed by the other density-wave modes.

Decay of correlations between cross-polarized electromagnetic waves in a two-dimensional random medium.

PubMed

Gorodnichev, E E

2018-04-01

The problem of multiple scattering of polarized light in a two-dimensional medium composed of fiberlike inhomogeneities is studied. The attenuation lengths for the density matrix elements are calculated. For a highly absorbing medium it is found that, as the sample thickness increases, the intensity of waves polarized along the fibers decays faster than the other density matrix elements. With further increase in the sample thickness, the off-diagonal elements which are responsible for correlations between the cross-polarized waves disappear. In the asymptotic limit of very thick samples the scattered light proves to be polarized perpendicular to the fibers. The difference in the attenuation lengths between the density matrix elements results in a nonmonotonic depth dependence of the degree of polarization. In the opposite case of a weakly absorbing medium, the off-diagonal element of the density matrix and, correspondingly, the correlations between the cross-polarized fields are shown to decay faster than the intensity of waves polarized along and perpendicular to the fibers.

The Impact of Bars and Spiral Density Waves on the Relative Frequencies of Supernovae

NASA Astrophysics Data System (ADS)

Aramyan, L. S.; Hakobyan, A. A.; Petrosian, A. R.; Barkhudaryan, L. V.; Karapetyan, A. G.; Adibekyan, V.; Turatto, M.

2017-07-01

We present the results of the analysis of the impact of bars and spiral density waves on the relative frequencies of supernovae (SNe). We find that for early -type Grand-Design (GD) and non-Grand-Design (NGD) galaxies, the NIa/NCC ratios, i.e., one of the tracers of specific star formation rate (sSFR), are not significantly different between barred and unbarred hosts. At the same time, for both barred and unbarred early-type galaxies, the NIa /NCC ratio in NGD hosts is significantly higher than that in GD, and for late-type galaxies no any significant difference exists between the N Ia/NCC ratios. Thus, in contrast to bars, the spiral density waves significantly enhance the relative frequencies of SNe in early-type GD galaxies, while not in late-type hosts. This result is actual also for galaxies when barred and unbarred categories are separated. Hence, the sSFR might be enhanced by density waves in early-type galaxies only.

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

Chen, P.; Pai, Woei Wu; Chan, Y. -H.

Two-dimensional materials constitute a promising platform for developing nanoscale devices and systems. Their physical properties can be very different from those of the corresponding three-dimensional materials because of extreme quantum confinement and dimensional reduction. Here in this paper we report a study of TiTe 2 from the single-layer to the bulk limit. Using angle-resolved photoemission spectroscopy and scanning tunneling microscopy and spectroscopy, we observed the emergence of a (2 × 2) charge density wave order in single-layer TiTe 2 with a transition temperature of 92 ± 3 K. Also observed was a pseudogap of about 28 meV at the Fermimore » level at 4.2 K. Surprisingly, no charge density wave transitions were observed in two-layer and multi-layer TiTe 2 , despite the quasi-two-dimensional nature of the material in the bulk. The unique charge density wave phenomenon in the single layer raises intriguing questions that challenge the prevailing thinking about the mechanisms of charge density wave formation.« less

Dependence of optimal initial density on laser parameters for multi-keV x-ray radiators generated by nanosecond laser-produced underdense plasma

NASA Astrophysics Data System (ADS)

Tu, Shao-yong; Yuan, Yong-teng; Hu, Guang-yue; Miao, Wen-yong; Zhao, Bin; Zheng, Jian; Jiang, Shao-en; Ding, Yong-kun

2016-01-01

Efficient multi-keV x-ray sources can be produced using nanosecond laser pulse-heated middle-Z underdense plasmas generated using gas or foam. Previous experimental results show that an optimal initial target density exists for efficient multi-keV x-ray emission at which the laser ionization wave is supersonic. Here we explore the influence of the laser intensity and the pulse duration on this optimal initial target density via a one-dimensional radiation hydrodynamic simulation. The simulation shows that the optimal initial density is sensitive to both the laser intensity and the pulse duration. However, the speed of the supersonic ionization wave at the end of the laser irradiation is always maintained at 1.5 to 1.7 times that of the ion acoustic wave under the optimal initial density conditions.

Numerical Study of Hydrothermal Wave Suppression in Thermocapillary Flow Using a Predictive Control Method

NASA Astrophysics Data System (ADS)

Muldoon, F. H.

2018-04-01

Hydrothermal waves in flows driven by thermocapillary and buoyancy effects are suppressed by applying a predictive control method. Hydrothermal waves arise in the manufacturing of crystals, including the "open boat" crystal growth process, and lead to undesirable impurities in crystals. The open boat process is modeled using the two-dimensional unsteady incompressible Navier-Stokes equations under the Boussinesq approximation and the linear approximation of the surface thermocapillary force. The flow is controlled by a spatially and temporally varying heat flux density through the free surface. The heat flux density is determined by a conjugate gradient optimization algorithm. The gradient of the objective function with respect to the heat flux density is found by solving adjoint equations derived from the Navier-Stokes ones in the Boussinesq approximation. Special attention is given to heat flux density distributions over small free-surface areas and to the maximum admissible heat flux density.

Elastic least-squares reverse time migration with velocities and density perturbation

NASA Astrophysics Data System (ADS)

Qu, Yingming; Li, Jinli; Huang, Jianping; Li, Zhenchun

2018-02-01

Elastic least-squares reverse time migration (LSRTM) based on the non-density-perturbation assumption can generate false-migrated interfaces caused by density variations. We perform an elastic LSRTM scheme with density variations for multicomponent seismic data to produce high-quality images in Vp, Vs and ρ components. However, the migrated images may suffer from crosstalk artefacts caused by P- and S-waves coupling in elastic LSRTM no matter what model parametrizations used. We have proposed an elastic LSRTM with density variations method based on wave modes separation to reduce these crosstalk artefacts by using P- and S-wave decoupled elastic velocity-stress equations to derive demigration equations and gradient formulae with respect to Vp, Vs and ρ. Numerical experiments with synthetic data demonstrate the capability and superiority of the proposed method. The imaging results suggest that our method promises imaging results with higher quality and has a faster residual convergence rate. Sensitivity analysis of migration velocity, migration density and stochastic noise verifies the robustness of the proposed method for field data.

Plasma waves at comet 67P/Churyumov-Gerasimenko: in the diamagnetic cavity and outside it

NASA Astrophysics Data System (ADS)

Gunell, Herbert; Altwegg, Kathrin; Cessateur, Gaël; De Keyser, Johan; Dhooghe, Frederik; Eriksson, Anders; Gibbons, Andrew; Glassmeier, Karl-Heinz; Goetz, Charlotte; Karlsson, Tomas; Hamrin, Maria; Henri, Pierre; Maggiolo, Romain; Nilsson, Hans; Odelstad, Elias; Rubin, Martin; Wedlund, Cyril Simon; Stenberg Wieser, Gabriella; Tzou, Chia-Yu; Vallieres, Xavier

2017-04-01

We present observations of waves at Comet 67P/Churyumov-Gerasimenko performed on 20 January 2015, when the activity of the comet was low, and in July and August 2015 when the activity had increased and the Rosetta spacecraft passed through the diamagnetic cavity several times. We use distribution functions obtained by the Ion Composition Analyser of the Rosetta Plasma Consortium (RPC-ICA) and electron temperature estimates from the Langmuir Probes (RPC-LAP) to compute dispersion relations for waves on the ion timescale, and we compare the results to spectra obtained by RPC-LAP. On 20 January 2015, at low activity, peaks of the wave spectra appeared at frequencies near 500 Hz, and we identify these waves as ion acoustic. We performed cross-calibrations between RPC-ICA, RPC-LAP, and the Mutual Impedance Probe (RPC-MIP) in order to determine the plasma density. Matching the dispersion relations to the wave observations also helps us estimating the density. We explore the relationship between the waves, the ion distribution functions, and the neutral density, which was measured by the ROSINA-COPS instrument. It is found that when the waves are seen, the ion temperature is low (approximately 0.01 eV). At times the ion temperature is higher (approximately 1 eV), approaching the electron temperature, which leads to strong damping of the ion acoustic waves. This happens when the neutral density is high, suggesting that the ions are heated by being accelerated by the solar wind electric field and scattered in collisions with the neutrals. These results are compared to measurements of wave spectra when Rosetta was inside the diamagnetic cavity in July and August 2015. In the cavity, the plasma is effectively unmagnetised. We identify cavity passages using the magnetometer RPC-MAG. The waves are analysed in the same way as in the earlier measurements outside the cavity, and the two cases are compared.

Wave excitation by inhomogeneous suprathermal electron beams

NASA Technical Reports Server (NTRS)

Freund, H. P.; Dillenburg, D.; Wu, C. S.

1982-01-01

Wave excitation by an inhomogeneous suprathermal electron beam in a homogeneous magnetized plasma is studied. Not only is the beam density nonuniform, but the beam electrons possess a sheared bulk velocity. The general dispersion equation encompassing both electrostatic and electromagnetic effects is derived. Particular attention is given to the whistler mode. It is established that the density-gradient and velocity-shear effects are important for waves with frequencies close to the lower-hybrid resonance frequency.

Femtosecond x rays link melting of charge-density wave correlations and light-enhanced coherent transport in YB a 2 C u 3 O 6.6

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

Först, M.; Frano, A.; Kaiser, S.

2014-11-17

In this study, we use femtosecond resonant soft x-ray diffraction to measure the optically stimulated ultrafast changes of charge density wave correlations in underdoped YBa₂Cu₃O₆.₆. We find that when coherent interlayer transport is enhanced by optical excitation of the apical oxygen distortions, at least 50% of the in-plane charge density wave order is melted. These results indicate that charge ordering and superconductivity may be competing up to the charge ordering transition temperature, with the latter becoming a hidden phase that is accessible only by nonlinear phonon excitation.

Superconducting and charge density wave transition in single crystalline LaPt2Si2

NASA Astrophysics Data System (ADS)

Gupta, Ritu; Dhar, S. K.; Thamizhavel, A.; Rajeev, K. P.; Hossain, Z.

2017-06-01

We present results of our comprehensive studies on single crystalline LaPt2Si2. Pronounced anomaly in electrical resistivity and heat capacity confirms the bulk nature of superconductivity (SC) and charge density wave (CDW) transition in the single crystals. While the charge density wave transition temperature is lower, the superconducting transition temperature is higher in single crystal compared to the polycrystalline sample. This result confirms the competing nature of CDW and SC. Another important finding is the anomalous temperature dependence of upper critical field H C2(T). We also report the anisotropy in the transport and magnetic measurements of the single crystal.

Spontaneous symmetry breaking in quasi one dimension

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

Satpathi, Urbashi, E-mail: urbashi@bose.res.in; Deo, P. Singha

2015-06-24

Electronic charge and spin separation leading to charge density wave and spin density wave is well established in one dimension in the presence and absence of Coulomb interaction. We start from quasi one dimension and show the possibility of such a transition in quasi one dimension as well as in two dimensions by going to a regime where it can be shown for electrons that just interact via Fermi statistics. Such density waves arise due to internal symmetry breaking in a many fermion quantum system. We can extend this result to very wide rings with infinitely many electrons including Coulombmore » interaction.« less

Effect of magnetic and density fluctuations on the propagation of lower hybrid waves in tokamaks

NASA Astrophysics Data System (ADS)

Vahala, George; Vahala, Linda; Bonoli, Paul T.

1992-12-01

Lower hybrid waves have been used extensively for plasma heating, current drive, and ramp-up as well as sawteeth stabilization. The wave kinetic equation for lower hybrid wave propagation is extended to include the effects of both magnetic and density fluctuations. This integral equation is then solved by Monte Carlo procedures for a toroidal plasma. It is shown that even for magnetic/density fluctuation levels on the order of 10-4, there are significant magnetic fluctuation effects on the wave power deposition into the plasma. This effect is quite pronounced if the magnetic fluctuation spectrum is peaked within the plasma. For Alcator-C-Mod [I. H. Hutchinson and the Alcator Group, Proceedings of the IEEE 13th Symposium on Fusion Engineering (IEEE, New York, 1990), Cat. No. 89CH 2820-9, p. 13] parameters, it seems possible to be able to infer information on internal magnetic fluctuations from hard x-ray data—especially since the effects of fluctuations on electron power density can explain the hard x-ray data from the JT-60 tokamak [H. Kishimoto and JT-60 Team, in Plasma Physics and Controlled Fusion (International Atomic Energy Agency, Vienna, 1989), Vol. I, p. 67].

High power fast wave experiments in LAPD: interaction with density fluctuations and status/plans for ICRH

NASA Astrophysics Data System (ADS)

Carter, Troy; Martin, Michael; van Compernolle, Bart; Gekelman, Walter; Pribyl, Pat; Vincena, Stephen; Tripathi, Shreekrishna; van Eester, Dirk; Crombe, Kristel

2016-10-01

The LArge Plasma Device (LAPD) at UCLA is a 17 m long, up to 60 cm diameter magnetized plasma column with typical plasma parameters ne 1012 -1013 cm-3, Te 1 - 10 eV, and B 1 kG. A new high-power ( 200 kW) RF system and antenna has been developed for LAPD, enabling the generation of large amplitude fast waves in LAPD. Interaction between the fast waves and density fluctuations is observed, resulting in modulation of the coupled RF power. Two classes of RF-induced density fluctuations are observed. First, a coherent (10 kHz) oscillation is observed spatially near the antenna in response to the initial RF turn-on transient. Second, broadband density fluctuations are enhanced when the RF power is above a threshold a threshold. Strong modulation of the fast wave magnetic fluctuations is observed along with broadening of the primary RF spectral line. Ultimately, high power fast waves will be used for ion heating in LAPD through minority species fundamental heating or second harmonic minority or majority heating. Initial experimental results from heating experiments will be presented along with a discussion of future plans. BaPSF supported by NSF and DOE.

Laser and acoustic lens for lithotripsy

DOEpatents

Visuri, Steven R.; Makarewicz, Anthony J.; London, Richard A.; Benett, William J.; Krulevitch, Peter; Da Silva, Luiz B.

2002-01-01

An acoustic focusing device whose acoustic waves are generated by laser radiation through an optical fiber. The acoustic energy is capable of efficient destruction of renal and biliary calculi and deliverable to the site of the calculi via an endoscopic procedure. The device includes a transducer tip attached to the distal end of an optical fiber through which laser energy is directed. The transducer tip encapsulates an exogenous absorbing dye. Under proper irradiation conditions (high absorbed energy density, short pulse duration) a stress wave is produced via thermoelastic expansion of the absorber for the destruction of the calculi. The transducer tip can be configured into an acoustic lens such that the transmitted acoustic wave is shaped or focused. Also, compressive stress waves can be reflected off a high density/low density interface to invert the compressive wave into a tensile stress wave, and tensile stresses may be more effective in some instances in disrupting material as most materials are weaker in tension than compression. Estimations indicate that stress amplitudes provided by this device can be magnified more than 100 times, greatly improving the efficiency of optical energy for targeted material destruction.

Laser Beat-Wave Magnetization of a Dense Plasma

NASA Astrophysics Data System (ADS)

Yates, Kevin; Hsu, Scott; Montgomery, David; Dunn, John; Langendorf, Samuel; Pollock, Bradley; Johnson, Timothy; Welch, Dale; Thoma, Carsten

2017-10-01

We present results from the first of a series of experiments to demonstrate and characterize laser beat-wave magnetization of a dense plasma, motivated by the desire to create high-beta targets with standoff for magneto-inertial fusion. The experiments are being conducted at the Jupiter Laser Facility (JLF) at LLNL. The experiment uses the JLF Janus 1 ω (1053 nm) beam and a standalone Nd:YAG (1064 nm) to drive the beat wave, and the Janus 2 ω (526.5 nm) beam to ionize/heat a gas-jet target as well as to provide Thomson-scattering (TS) measurements of the target density/temperature and scattered light from the beat wave. Streaked TS data captured electron-plasma-wave and ion-acoustic-wave features utilizing either nitrogen or helium gas jets. Effects of initial gas density as well as laser intensity on target have been measured, with electron densities ranging from 1E18 to 1E19 cm-3 with temperatures of tens to hundreds of eV, near the desired range for optimal field generation. LSP simulations were run to aid experimental design and data interpretation. LANL LDRD Program.

Numerical study on the instabilities in H2-air rotating detonation engines

NASA Astrophysics Data System (ADS)

Liu, Yan; Zhou, Weijiang; Yang, Yunjun; Liu, Zhou; Wang, Jianping

2018-04-01

Numerical simulations of rotating detonation engines (RDEs) are performed using two-dimensional Euler equations and a detailed chemistry model of H2-air. Two propagation modes, the one-wave mode and the two-wave mode, are observed in the RDEs. The instabilities of the RDEs are studied and analyzed specifically. A low frequency instability and a high frequency instability are found from the pressure-time trace measured at a fixed location and the average density-time trace of the RDEs. For the low frequency instability, the pressure peak of the pressure-time trace oscillates with a low frequency while the average density is stable. The deviation between the measurement location and the location of the detonation wave results in the low frequency instability. For the high frequency instability, the average density of the RDEs oscillates regularly with a single frequency while the pressure oscillates irregularly with several frequencies. The oscillation of the detonation wave height results in the high frequency instability. Furthermore, the low frequency instability and the high frequency instability both occur in the one-wave and two-wave mode RDEs.

Nonequilibrium response of an electron-mediated charge density wave ordered material to a large dc electric field

NASA Astrophysics Data System (ADS)

Matveev, O. P.; Shvaika, A. M.; Devereaux, T. P.; Freericks, J. K.

2016-01-01

Using the Kadanoff-Baym-Keldysh formalism, we employ nonequilibrium dynamical mean-field theory to exactly solve for the nonlinear response of an electron-mediated charge-density-wave-ordered material. We examine both the dc current and the order parameter of the conduction electrons as the ordered system is driven by the electric field. Although the formalism we develop applies to all models, for concreteness, we examine the charge-density-wave phase of the Falicov-Kimball model, which displays a number of anomalous behaviors including the appearance of subgap density of states as the temperature increases. These subgap states should have a significant impact on transport properties, particularly the nonlinear response of the system to a large dc electric field.

NO FLARES FROM GAMMA-RAY BURST AFTERGLOW BLAST WAVES ENCOUNTERING SUDDEN CIRCUMBURST DENSITY CHANGE

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

Gat, Ilana; Van Eerten, Hendrik; MacFadyen, Andrew

2013-08-10

Afterglows of gamma-ray bursts are observed to produce light curves with the flux following power-law evolution in time. However, recent observations reveal bright flares at times on the order of minutes to days. One proposed explanation for these flares is the interaction of a relativistic blast wave with a circumburst density transition. In this paper, we model this type of interaction computationally in one and two dimensions, using a relativistic hydrodynamics code with adaptive mesh refinement called RAM, and analytically in one dimension. We simulate a blast wave traveling in a stellar wind environment that encounters a sudden change inmore » density, followed by a homogeneous medium, and compute the observed radiation using a synchrotron model. We show that flares are not observable for an encounter with a sudden density increase, such as a wind termination shock, nor for an encounter with a sudden density decrease. Furthermore, by extending our analysis to two dimensions, we are able to resolve the spreading, collimation, and edge effects of the blast wave as it encounters the change in circumburst medium. In all cases considered in this paper, we find that a flare will not be observed for any of the density changes studied.« less

Electronic structure investigations of 4-aminophthal hydrazide by UV-visible, NMR spectral studies and HOMO-LUMO analysis by ab initio and DFT calculations.

PubMed

Sambathkumar, K; Jeyavijayan, S; Arivazhagan, M

2015-08-05

Combined experimental and theoretical studies were conducted on the molecular structure and vibrational spectra of 4-AminoPhthalhydrazide (APH). The FT-IR and FT-Raman spectra of APH were recorded in the solid phase. The molecular geometry and vibrational frequencies of APH in the ground state have been calculated by using the ab initio HF (Hartree-Fock) and density functional methods (B3LYP) invoking 6-311+G(d,p) basis set. The optimized geometric bond lengths and bond angles obtained by HF and B3LYP method show best agreement with the experimental values. Comparison of the observed fundamental vibrational frequencies of APH with calculated results by HF and density functional methods indicates that B3LYP is superior to the scaled Hartree-Fock approach for molecular vibrational problems. The difference between the observed and scaled wave number values of most of the fundamentals is very small. A detailed interpretation of the NMR spectra of APH was also reported. The theoretical spectrograms for infrared and Raman spectra of the title molecule have been constructed. UV-vis spectrum of the compound was recorded and the electronic properties, such as HOMO and LUMO energies, were performed by time dependent density functional theory (TD-DFT) approach. Finally the calculations results were applied to simulated infrared and Raman spectra of the title compound which show good agreement with observed spectra. And the temperature dependence of the thermodynamic properties of constant pressure (Cp), entropy (S) and enthalpy change (ΔH0→T) for APH were also determined. Copyright © 2015 Elsevier B.V. All rights reserved.

Yb5Ga2Sb6: a mixed valent and narrow-band gap material in the RE5M2X6 family.

PubMed

Subbarao, Udumula; Sarkar, Sumanta; Gudelli, Vijay Kumar; Kanchana, V; Vaitheeswaran, G; Peter, Sebastian C

2013-12-02

A new compound Yb5Ga2Sb6 was synthesized by the metal flux technique as well as high frequency induction heating. Yb5Ga2Sb6 crystallizes in the orthorhombic space group Pbam (no. 55), in the Ba5Al2Bi6 structure type, with a unit cell of a = 7.2769(2) Å, b = 22.9102(5) Å, c = 4.3984(14) Å, and Z = 2. Yb5Ga2Sb6 has an anisotropic structure with infinite anionic double chains (Ga2Sb6)(10-) cross-linked by Yb(2+) and Yb(3+) ions. Each single chain is made of corner-sharing GaSb4 tetrahedra. Two such chains are bridged by Sb2 groups to form double chains of 1/∞ [Ga2Sb6(10-)]. The compound satisfies the classical Zintl-Klemm concept and is a narrow band gap semiconductor with an energy gap of around 0.36 eV calculated from the electrical resistivity data corroborating with the experimental absorption studies in the IR region (0.3 eV). Magnetic measurements suggest Yb atoms in Yb5Ga2Sb6 exist in the mixed valent state. Temperature dependent magnetic susceptibility data follows the Curie-Weiss behavior above 100 K and no magnetic ordering was observed down to 2 K. Experiments are accompanied by all electron full-potential linear augmented plane wave (FP-LAPW) calculations based on density functional theory to calculate the electronic structure and density of states. The calculated band structure shows a weak overlap of valence band and conduction band resulting in a pseudo gap in the density of states revealing semimetallic character.

Energy mode distribution: An analysis of the ratio of anti-Stokes to Stokes amplitudes generated by a pair of counterpropagating Langmuir waves

NASA Astrophysics Data System (ADS)

Simões Júnior, F. J. R.; Alves, M. V.; Rizzato, F. B.

2005-12-01

Results from plasma wave experiments in spacecrafts give support to nonlinear interactions involving Langmuir, electromagnetic, and ion-acoustic waves in association with type III solar radio bursts. Starting from a general form of Zakharov equation (Zakharov, V.E., 1985. Collapse and self-focusing of Langmuir waves. Hand-book of Plasma Physics Cap.2, 81 121) the equations for electric fields and density fluctuations (density gratings) induced by a pair of counterpropagating Langmuir waves are obtained. We consider the coupling of four triplets. Each two triplets have in common the Langmuir pump wave (forward or backward wave) and a pair of independent density gratings. We numerically solve the dispersion relation for the system, extending the work of (Alves, M.V., Chian, A.C.L., Moraes, M.A.E., Abalde, J.R., Rizzato, F.B., 2002. A theory of the fundamental plasma emission of type- III solar radio bursts. Astronomy and Astrophysics 390, 351 357). The ratio of anti-Stokes (AS) (ω0+ω) to Stokes (S) (ω0-ω) electromagnetic mode amplitudes is obtained as a function of the pump wave frequency, wave number, and energy. We notice that the simultaneous excitation of AS and S distinguishable modes, i.e., with Re{ω}=ω≠0, only occurs when the ratio between the pump wave amplitudes, r is ≠1 and the pump wave vector k0 is <(13)W01/2, W0 being the forward pump wave energy. We also observe that the S mode always receives more energy.

Ocean Surface Wave Optical Roughness - Innovative Measurement and Modeling

DTIC Science & Technology

2006-09-30

length spectral density (eg. Phillips et al, 2001, Gemmrich, 2005) and microscale breaker crest length spectral density (eg. Jessup and Phadnis , 2005...Oceanography, 16, 290-297. Jessup, A.T. & Phadnis , K.R. 2005 Measurement of the geometric and kinematic properties of microsacle breaking waves from

Ocean Surface Wave Optical Roughness - Innovative Measurement and Modeling

DTIC Science & Technology

2006-09-30

crest length spectral density (eg. Phillips et al, 2001, Gemmrich, 2005) and microscale breaker crest length spectral density (eg. Jessup and Phadnis ...Jessup, A.T. & Phadnis , K.R. 2005 Measurement of the geometric and kinematic properties of microsacle breaking waves from infrared imagery using a

Nonparametric estimation of the heterogeneity of a random medium using compound Poisson process modeling of wave multiple scattering.

PubMed

Le Bihan, Nicolas; Margerin, Ludovic

2009-07-01

In this paper, we present a nonparametric method to estimate the heterogeneity of a random medium from the angular distribution of intensity of waves transmitted through a slab of random material. Our approach is based on the modeling of forward multiple scattering using compound Poisson processes on compact Lie groups. The estimation technique is validated through numerical simulations based on radiative transfer theory.

Pair-density waves, charge-density waves, and vortices in high-Tc cuprates

NASA Astrophysics Data System (ADS)

Dai, Zhehao; Zhang, Ya-Hui; Senthil, T.; Lee, Patrick A.

2018-05-01

A recent scanning tunneling microscopy (STM) experiment reports the observation of a charge-density wave (CDW) with a period of approximately 8a in the halo region surrounding the vortex core, in striking contrast to the approximately 4a period CDWs that are commonly observed in the cuprates. Inspired by this work, we study a model where a bidirectional pair-density wave (PDW) with period 8 is at play. This further divides into two classes: (1) where the PDW is a competing state of the d -wave superconductor and can exist only near the vortex core where the d -wave order is suppressed and (2) where the PDW is the primary order, the so-called "mother state" that persists with strong phase fluctuations to high temperature and high magnetic field and lies behind the pseudogap phenomenology. We study the charge-density wave structures near the vortex core in these models. We emphasize the importance of the phase winding of the d -wave order parameter. The PDW can be pinned by the vortex core due to this winding and become static. Furthermore, the period-8 CDW inherits the properties of this winding, which gives rise to a special feature of the Fourier transform peak, namely, it is split in certain directions. There is also a line of zeros in the inverse Fourier transform of filtered data. We propose that these are key experimental signatures that can distinguish between the PDW-driven scenario from the more mundane option that the period-8 CDW is primary. We discuss the pro's and con's of the options considered above. Finally, we attempt to place the STM experiment in the broader context of pseudogap physics of underdoped cuprates and relate this observation to the unusual properties of x-ray scattering data on CDW carried out to very high magnetic field.

Anisotropy of the Seebeck and Nernst coefficients in parent compounds of the iron-based superconductors

NASA Astrophysics Data System (ADS)

Matusiak, Marcin; Babij, Michał; Wolf, Thomas

2018-03-01

In-plane longitudinal and transverse thermoelectric phenomena in two parent compounds of iron-based superconductors are studied. Namely, the Seebeck (S ) and Nernst (ν) coefficients were measured in the temperature range 10-300 K for BaF e2A s2 and CaF e2A s2 single crystals that were detwinned in situ. The thermoelectric response shows sizable anisotropy in the spin density wave (SDW) state for both compounds, while some dissimilarities in the vicinity of the SDW transition can be attributed to the different nature of the phase change in BaF e2A s2 and CaF e2A s2 . Temperature dependences of S and ν can be described within a two-band model that contains a contribution from highly mobile, probably Dirac, electrons. The Dirac band seems to be rather isotropic, whereas most of the anisotropy in the transport phenomena could be attributed to "regular" holelike charge carriers. We also observe that the off-diagonal element of the Peltier tensor αx y is not the same for the a and b orthorhombic axes, which indicates that the widely used Mott formula is not applicable to the SDW state of iron-based superconductors.

Structural, optoelectronic, and thermoelectric properties of AZn13 (A=Na, K, Ca, Sr, Ba) compounds

NASA Astrophysics Data System (ADS)

Basit, Abdul; Murtaza, G.; Mahmood, Asif; Yar, Abdullah; Muhammad, S.

2016-08-01

We report the structural, electronic, optical, and thermoelectric properties of the five cubic alkali-earth transition-metals AZn13 (A-Na, K, Ca, Sr, Ba) using density functional theory. Structural properties, electronic structures and optical behaviors are calculated explicitly via highly accurate contemporary full potential-linearized augmented plane wave (FP-LAPW) method. The investigated ground state data of these materials is quite close to the experimental information. The modified Becke-Johnson (mBJ) predicts the intermetallic nature of AZn13 (A-Na, K, Ca, Sr, Ba) materials. The complex dielectric function of these intermetallic compounds has been calculated and the observed noticeable peaks are examined through mBJ. With the help of complex dielectric function, the other important optical parameters like reflectivities, conductivities and refractive indices of AZn13 (A-Na, K, Ca, Sr, Ba) have been calculated as a function of energy. The optical response suggests that AZn13 (A-Na, K, Ca, Sr, Ba) compounds can be used for the optoelectronic devices. Further, the thermoelectric properties have been calculated through BoltzTraP program, the calculated values for different thermoelectric parameters recommend that these AZn13 (A-Na, K, Ca, Sr, Ba) materials are the suitable candidates for thermoelectric applications.

STRONG EVIDENCE FOR THE DENSITY-WAVE THEORY OF SPIRAL STRUCTURE IN DISK GALAXIES

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

Pour-Imani, Hamed; Kennefick, Daniel; Kennefick, Julia

2016-08-10

The density-wave theory of galactic spiral-arm structure makes a striking prediction that the pitch angle of spiral arms should vary with the wavelength of the galaxy’s image. The reason is that stars are born in the density wave but move out of it as they age. They move ahead of the density wave inside the co-rotation radius, and fall behind outside of it, resulting in a tighter pitch angle at wavelengths that image stars (optical and near-infrared) than those that are associated with star formation (far-infrared and ultraviolet). In this study we combined large sample size with wide range ofmore » wavelengths, from the ultraviolet to the infrared to investigate this issue. For each galaxy we used an optical wavelength image ( B -band: 445 nm) and images from the Spitzer Space Telescope at two infrared wavelengths (infrared: 3.6 and 8.0 μ m) and we measured the pitch angle with the 2DFFT and Spirality codes. We find that the B -band and 3.6 μ m images have smaller pitch angles than the infrared 8.0 μ m image in all cases, in agreement with the prediction of density-wave theory. We also used images in the ultraviolet from Galaxy Evolution Explorer , whose pitch angles agreed with the measurements made at 8 μ m.« less

Structure of the Mimas 5:3 Bending Wave in Saturn's Rings

NASA Astrophysics Data System (ADS)

Sega, Daniel D.; Colwell, Josh E.

2016-10-01

Saturn's moon Mimas is on an inclined orbit with several strong vertical orbital resonances in Saturn's rings. The 5:3 inner vertical resonance with Mimas lies in the outer A ring and produces a prominent spiral bending wave (BW) that propagates away from Mimas. While dozens of density waves in Saturn's rings have been analyzed to determine local surface mass densities and viscosities, the number of bending waves is limited by the requirement for a moon on an inclined orbit and because, unlike the Lindblad resonances that excite density waves, there can be no first order vertical resonances. The Mimas 5:3 BW is the most prominent in the ring system. Bending wave theory was initially developed by Shu et al. (1983, Icarus, 53, 185-206) following the Voyager encounters with Saturn. Later, Gresh et al. (1986, Icarus, 68, 481-502) modeled radio science occultation data of the Mimas 5:3 BW with an imperfect fit to the theory. The multitude of high resolution stellar occultations observed by Cassini UVIS provides an opportunity to reconstruct the full three-dimensional structure of this wave and learn more about local ring properties. Occultations at high elevation angles out of the ring plane are insensitive to the wave structure due to the small angles of the vertical warping of the rings in the wave. They thus reveal the underlying structure in the wave region. There is a symmetric increase in optical depth throughout the Mimas 5:3 BW region. This may be due to an increase in the abundance of small particles without a corresponding increase in surface mass density. We include this feature in a ray-tracing model of the vertical structure of the wave and fit it to multiple UVIS occultations. The observed amplitude of the wave and its damping behavior of are not well-described by the Shu et al. model, which assumes a fluid-like damping mechanism. A different damping behavior of the ring, perhaps radially varying across the wave region due to differences in the particle size distribution and/or structure of the self-gravity wakes in the ring, is needed to match observations.

Layered semi-convection and tides in giant planet interiors. I. Propagation of internal waves

NASA Astrophysics Data System (ADS)

André, Q.; Barker, A. J.; Mathis, S.

2017-09-01

Context. Layered semi-convection is a possible candidate to explain Saturn's luminosity excess and the abnormally large radius of some hot Jupiters. In giant planet interiors, it could lead to the creation of density staircases, which are convective layers separated by thin stably stratified interfaces. These are also observed on Earth in some lakes and in the Arctic Ocean. Aims: We aim to study the propagation of internal waves in a region of layered semi-convection, with the aim to predict energy transport by internal waves incident upon a density staircase. The goal is then to understand the resulting tidal dissipation when these waves are excited by other bodies such as moons in giant planets systems. Methods: We used a local Cartesian analytical model, taking into account the complete Coriolis acceleration at any latitude, thus generalising previous works. We used a model in which stably stratified interfaces are infinitesimally thin, before relaxing this assumption with a second model that assumes a piecewise linear stratification. Results: We find transmission of incident internal waves to be strongly affected by the presence of a density staircase, even if these waves are initially pure inertial waves (which are restored by the Coriolis acceleration). In particular, low-frequency waves of all wavelengths are perfectly transmitted near the critical latitude, defined by θc = sin-1(ω/ 2Ω), where ω is the wave's frequency and Ω is the rotation rate of the planet. Otherwise, short-wavelength waves are only efficiently transmitted if they are resonant with a free mode (interfacial gravity wave or short-wavelength inertial mode) of the staircase. In all other cases, waves are primarily reflected unless their wavelengths are longer than the vertical extent of the entire staircase (not just a single step). Conclusions: We expect incident internal waves to be strongly affected by the presence of a density staircase in a frequency-, latitude- and wavelength-dependent manner. First, this could lead to new criteria to probe the interior of giant planets by seismology; and second, this may have important consequences for tidal dissipation and our understanding of the evolution of giant planet systems.

Non-inductive current driven by Alfvén waves in solar coronal loops

NASA Astrophysics Data System (ADS)

Elfimov, A. G.; de Azevedo, C. A.; de Assis, A. S.

1996-08-01

It has been shown that Alfvén waves can drive non-inductive current in solar coronal loops via collisional or collisionless damping. Assuming that all the coronal-loop density of dissipated wave power (W= 10-3 erg cm-3 s-1), which is necessary to keep the plasma hot, is due to Alfvén wave electron heating, we have estimated the axial current density driven by Alfvén waves to be ≈ 103 105 statA cm-2. This current can indeed support the quasi-stationary equilibrium and stability of coronal loops and create the poloidal magnetic field up to B θ≈1-5 G.

Orbital selectivity causing anisotropy and particle-hole asymmetry in the charge density wave gap of 2 H - TaS 2

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

Zhao, J.; Wijayaratne, K.; Butler, A.

We report an in-depth angle-resolved photoemission spectroscopy study on 2H-TaS2, a canonical incommensurate charge density wave (CDW) system. This study demonstrates that just as in related incommensurate CDW systems, 2H-TaSe2 and 2H-NbSe2, the energy gap (triangle(CDW)) of 2H-TaS2 is localized along the K-centered Fermi surface barrels and is particle-hole asymmetric. The persistence of triangle(CDW) even at temperatures higher than the CDW transition temperature T-CDW in 2H-TaS2, reflects the similar pseudogap behavior observed previously in 2H-TaSe2 and 2H-NbSe2. However, in sharp contrast to 2H-NbSe2, where triangle(CDW) is nonzero only in the vicinity of a few "hot spots" on the innerK-centered Fermimore » surface barrels, triangle(CDW) in 2H-TaS2 is nonzero along the entirety of both K-centered Fermi surface barrels. Based on a tight-binding model, we attribute this dichotomy in the momentum dependence and the Fermi surface specificity of triangle(CDW) between otherwise similar CDW compounds to the different orbital orientations of their electronic states that participate in the CDW pairing. Our results suggest that the orbital selectivity plays a critical role in the description of incommensurate CDW materials.« less

On Spatial Structuring of the F2 Layer Studied by the Satellite Radio Sounding of the Ionosphere Disturbed by High-Power HF Radio Waves

NASA Astrophysics Data System (ADS)

Tereshchenko, E. D.; Turyansky, V. A.; Khudukon, B. Z.; Yurik, R. Yu.; Frolov, V. L.

2018-01-01

We present the results of studying the characteristics of the artificial plasma structures excited in the ionospheric F2 region modified by high-power HF radio waves. The experiments were carried out at the Sura heating facility using satellite radio sounding of the ionosphere. The plasma density profile was reconstructed with the highest possible spatial resolution for today, about 4 km. In a direction close to the magnetic zenith of the pump wave, the following phenomena were observed: the formation of a cavity with a 15% lower plasma density at the altitudes of the F2 layer and below; the formation of an area with plasma density increased by 12% at altitudes greater than 400 km. With a long-term quasiperiodic impact of the pump wave on the ionosphere, wavy large-scale electron-density perturbations (the meridional scale λx ≈ 130 km and the vertical scale λz ≈ 440 km) are also formed above the Sura facility. These perturbations can be due to the plasma density modulation by an artificial acoustic-gravity wave with a period of 10.6 m, which was formed by the heat source inside a large-scale cavity with low plasma density; there is generation of the electron density irregularities for the electrons with ΔNe/Ne ≈ 3% in the form of layers having the sizes 10-12 km along and about 24 km across the geomagnetic field, which are found both below and above the F2-layer maximum. The mechanisms of the formation of these plasma structures are discussed.

Computational studies on scattering of radio frequency waves by density filaments in fusion plasmas

NASA Astrophysics Data System (ADS)

Ioannidis, Zisis C.; Ram, Abhay K.; Hizanidis, Kyriakos; Tigelis, Ioannis G.

2017-10-01

In modern magnetic fusion devices, such as tokamaks and stellarators, radio frequency (RF) waves are commonly used for plasma heating and current profile control, as well as for certain diagnostics. The frequencies of the RF waves range from ion cyclotron frequency to the electron cyclotron frequency. The RF waves are launched from structures, like waveguides and current straps, placed near the wall in a very low density, tenuous plasma region of a fusion device. The RF electromagnetic fields have to propagate through this scrape-off layer before coupling power to the core of the plasma. The scrape-off layer is characterized by turbulent plasmas fluctuations and by blobs and filaments. The variations in the edge density due to these fluctuations and filaments can affect the propagation characteristics of the RF waves—changes in density leading to regions with differing plasma permittivity. Analytical full-wave theories have shown that scattering by blobs and filaments can alter the RF power flow into the core of the plasma in a variety of ways, such as through reflection, refraction, diffraction, and shadowing [see, for example, Ram and Hizanidis, Phys. Plasmas 23, 022504 (2016), and references therein]. There are changes in the wave vectors and the distribution of power-scattering leading to coupling of the incident RF wave to other plasma waves, side-scattering, surface waves, and fragmentation of the Poynting flux in the direction towards the core. However, these theoretical models are somewhat idealized. In particular, it is assumed that there is step-function discontinuity in the density between the plasma inside the filament and the background plasma. In this paper, results from numerical simulations of RF scattering by filaments using a commercial full-wave code are described. The filaments are taken to be cylindrical with the axis of the cylinder aligned along the direction of the ambient magnetic field. The plasma inside and outside the filament is assumed to be cold. There are three primary objectives of these studies. The first objective is to validate the numerical simulations by comparing with the analytical results for the same plasma description—a step-function discontinuity in density. A detailed comparison of the Poynting flux shows that numerical simulations lead to the same results as those from the theoretical model. The second objective is to extend the simulations to take into account a smooth transition in density from the background plasma to the interior of the filament. The ensuing comparison shows that the deviations from the results of the theoretical model are quite small. The third objective is to consider the scattering process for situations well beyond a reasonable theoretical analysis. This includes scattering off multiple filaments with different densities and sizes. Simulations for these complex arrangements of filaments show that, in spite of the obvious limitations, the essential physics of RF scattering is captured by the analytical theory for a single filament.

Helicon normal modes in Proto-MPEX

NASA Astrophysics Data System (ADS)

Piotrowicz, P. A.; Caneses, J. F.; Green, D. L.; Goulding, R. H.; Lau, C.; Caughman, J. B. O.; Rapp, J.; Ruzic, D. N.

2018-05-01

The Proto-MPEX helicon source has been operating in a high electron density ‘helicon-mode’. Establishing plasma densities and magnetic field strengths under the antenna that allow for the formation of normal modes of the fast-wave are believed to be responsible for the ‘helicon-mode’. A 2D finite-element full-wave model of the helicon antenna on Proto-MPEX is used to identify the fast-wave normal modes responsible for the steady-state electron density profile produced by the source. We also show through the simulation that in the regions of operation in which core power deposition is maximum the slow-wave does not deposit significant power besides directly under the antenna. In the case of a simulation where a normal mode is not excited significant edge power is deposited in the mirror region. ).

Helicon normal modes in Proto-MPEX

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

Piotrowicz, Pawel A.; Caneses, Juan F.; Green, David L.

Here, the Proto-MPEX helicon source has been operating in a high electron density 'helicon-mode'. Establishing plasma densities and magnetic field strengths under the antenna that allow for the formation of normal modes of the fast-wave are believed to be responsible for the 'helicon-mode'. A 2D finite-element full-wave model of the helicon antenna on Proto-MPEX is used to identify the fast-wave normal modes responsible for the steady-state electron density profile produced by the source. We also show through the simulation that in the regions of operation in which core power deposition is maximum the slow-wave does not deposit significant power besidesmore » directly under the antenna. In the case of a simulation where a normal mode is not excited significant edge power is deposited in the mirror region.« less

Helicon normal modes in Proto-MPEX

DOE PAGES

Piotrowicz, Pawel A.; Caneses, Juan F.; Green, David L.; ...

2018-05-22

Here, the Proto-MPEX helicon source has been operating in a high electron density 'helicon-mode'. Establishing plasma densities and magnetic field strengths under the antenna that allow for the formation of normal modes of the fast-wave are believed to be responsible for the 'helicon-mode'. A 2D finite-element full-wave model of the helicon antenna on Proto-MPEX is used to identify the fast-wave normal modes responsible for the steady-state electron density profile produced by the source. We also show through the simulation that in the regions of operation in which core power deposition is maximum the slow-wave does not deposit significant power besidesmore » directly under the antenna. In the case of a simulation where a normal mode is not excited significant edge power is deposited in the mirror region.« less

Efficient evaluation of Coulomb integrals in a mixed Gaussian and plane-wave basis using the density fitting and Cholesky decomposition.

PubMed

Čársky, Petr; Čurík, Roman; Varga, Štefan

2012-03-21

The objective of this paper is to show that the density fitting (resolution of the identity approximation) can also be applied to Coulomb integrals of the type (k(1)(1)k(2)(1)|g(1)(2)g(2)(2)), where k and g symbols refer to plane-wave functions and gaussians, respectively. We have shown how to achieve the accuracy of these integrals that is needed in wave-function MO and density functional theory-type calculations using mixed Gaussian and plane-wave basis sets. The crucial issues for achieving such a high accuracy are application of constraints for conservation of the number electrons and components of the dipole moment, optimization of the auxiliary basis set, and elimination of round-off errors in the matrix inversion. © 2012 American Institute of Physics

Spiral density waves in a young protoplanetary disk.

PubMed

Pérez, Laura M; Carpenter, John M; Andrews, Sean M; Ricci, Luca; Isella, Andrea; Linz, Hendrik; Sargent, Anneila I; Wilner, David J; Henning, Thomas; Deller, Adam T; Chandler, Claire J; Dullemond, Cornelis P; Lazio, Joseph; Menten, Karl M; Corder, Stuartt A; Storm, Shaye; Testi, Leonardo; Tazzari, Marco; Kwon, Woojin; Calvet, Nuria; Greaves, Jane S; Harris, Robert J; Mundy, Lee G

2016-09-30

Gravitational forces are expected to excite spiral density waves in protoplanetary disks, disks of gas and dust orbiting young stars. However, previous observations that showed spiral structure were not able to probe disk midplanes, where most of the mass is concentrated and where planet formation takes place. Using the Atacama Large Millimeter/submillimeter Array, we detected a pair of trailing symmetric spiral arms in the protoplanetary disk surrounding the young star Elias 2-27. The arms extend to the disk outer regions and can be traced down to the midplane. These millimeter-wave observations also reveal an emission gap closer to the star than the spiral arms. We argue that the observed spirals trace shocks of spiral density waves in the midplane of this young disk. Copyright © 2016, American Association for the Advancement of Science.

The effects of density gradients on the convective amplification of upper hybrid waves in the magnetosphere

NASA Technical Reports Server (NTRS)

Engel, J.; Kennel, C.

1985-01-01

Intense (at least 10 mV/m) electrostatic plasma waves have been detected near the upper hybrid frequency between + or -50 deg MLAT during recent GEOS-1 crossings. Wave growth rate and convective amplification calculations were carried out in order to explain the occurrence of intense upper hybrid (IUH) events over such a wide range of latitudes. The effects of wave refractions were taken into account in the convective amplification calculations. Specific results are presented for the upper hybrid wave growth of an IUH event occurring at 10 deg MLAT. It is shown that a density gradient may be necessary to explain the observed amplification at 10 deg MLAT. At the equator, however, the long scale length of the magnetic field gradient enables large amplitudes to be attained without a density gradient. The results of a UH ray tracing analysis are discussed within the framework of current theories concerning magnetospheric continuum radiation.

Ion beam driven ion-acoustic waves in a plasma cylinder with negative ions

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

Sharma, Suresh C.; Gahlot, Ajay

2008-07-15

An ion beam propagating through a magnetized plasma cylinder containing K{sup +} positive ions, electrons, and SF{sub 6}{sup -} negative ions drives electrostatic ion-acoustic (IA) waves to instability via Cerenkov interaction. Two electrostatic IA wave modes in presence of K{sup +} and SF{sub 6}{sup -} ions are studied. The phase velocity of the sound wave in presence of positive and negative ions increase with the relative density of negative ions. The unstable wave frequencies and the growth rate of both the modes in presence of positive and negative ions increase with the relative density of negative ions. The growth ratemore » of both the unstable modes in presence of SF{sub 6}{sup -} and K{sup +} ions scales as the one-third power of the beam density. Numerical calculations of the phase velocity, growth rate, and mode frequencies have been carried out for the parameters of the experiment of Song et al. [Phys. Fluids B 3, 284 (1991)].« less

Field-induced spin density wave and spiral phases in a layered antiferromagnet

DOE PAGES

Stone, Matthew B.; Lumsden, Mark D.; Garlea, Vasile O.; ...

2015-07-28

Here we determine the low-field ordered magnetic phases of the S=1 dimerized antiferromagnet Ba 3Mn 2O 8 using single crystal neutron diffraction. We find that for magnetic fields between μ 0H=8.80 T and 10.56 T applied along themore » $$1\\bar{1}0$$ direction the system exhibits spin density wave order with incommensurate wave vectors of type (η,η,ε). For μ 0H > 10.56 T, the magnetic order changes to a spiral phase with incommensurate wave vectors only along the [hh0] direction. For both field induced ordered phases, the magnetic moments are lying in the plane perpendicular to the field direction. Finally, the nature of these two transitions is fundamentally different: the low-field transition is a second order transition to a spin-density wave ground state, while the one at higher field, toward the spiral phase, is of first order.« less

Observation of the electron density fluctuations by using the O-mode Microwave Imaging Reflectometry in LHD

NASA Astrophysics Data System (ADS)

Nagayama, Yoshio; Yamaguchi, Soichiro; Tsuchiya, Hayato; Kuwahara, Daisuke; LHD Experimental Team

2016-10-01

Visualization of local electron density fluctuations will be very useful to study the physics of confinement and instabilities in fusion plasma. In the Large Helical Device (LHD), the O-mode microwave imaging reflectometry (O-MIR) has been intensively developed in order to visualize the electron density fluctuations. The frequency is 26 - 34 GHz. This corresponds to the electron density of 0.8 - 1.5 × 1019 m-3. The plasma is illuminated by the Gaussian beam with four frequencies. The imaging optics make a plasma image onto the newly developed 2D (8 × 8) Horn-antenna Millimeter-wave Imaging Device (HMID). In HMID, the signal wave that is accumulated by the horn antenna is transduced to the micro-strip line by using the finline transducer. The signal wave is mixed by the double balanced mixer with the local wave that is delivered by cables. By using O-MIR, electron density fluctuations are measured at the H-mode edge and the ITB layer in LHD. This work is supported by NIFS/NINS under the project of Formation of International Scientific Base and Network, by the NIFS LHD project, by KAKENHI, and by IMS.

First-principle calculations of structural, electronic, optical, elastic and thermal properties of MgXAs2 (X=Si, Ge) compounds

NASA Astrophysics Data System (ADS)

Cheddadi, S.; Boubendira, K.; Meradji, H.; Ghemid, S.; Hassan, F. El Haj; Lakel, S.; Khenata, R.

2017-12-01

First-principle calculations on the structural, electronic, optical, elastic and thermal properties of the chalcopyrite MgXAs2 (X=Si, Ge) have been performed within the density functional theory (DFT) using the full-potential linearized augmented plane wave (FP-LAPW) method. The obtained equilibrium structural parameters are in good agreement with the available experimental data and theoretical results. The calculated band structures reveal a direct energy band gap for the interested compounds. The predicted band gaps using the modified Becke-Johnson (mBJ) exchange approximation are in fairly good agreement with the experimental data. The optical constants such as the dielectric function, refractive index, and the extinction coefficient are calculated and analysed. The independent elastic parameters namely, C_{11}, C_{12}, C_{13}, C_{33}, C_{44} and C_{66 } are evaluated. The effects of temperature and pressure on some macroscopic properties of MgSiAs2 and MgGeAs2 are predicted using the quasiharmonic Debye model in which the lattice vibrations are taken into account.

Strain induced superconductivity in the parent compound BaFe2As2

NASA Astrophysics Data System (ADS)

Engelmann, J.; Grinenko, V.; Chekhonin, P.; Skrotzki, W.; Efremov, D. V.; Oswald, S.; Iida, K.; Hühne, R.; Hänisch, J.; Hoffmann, M.; Kurth, F.; Schultz, L.; Holzapfel, B.

2013-12-01

The discovery of superconductivity with a transition temperature, Tc, up to 65 K in single-layer FeSe (bulk Tc=8 K) films grown on SrTiO3 substrates has attracted special attention to Fe-based thin films. The high Tc is a consequence of the combined effect of electron transfer from the oxygen-vacant substrate to the FeSe thin film and lattice tensile strain. Here we demonstrate the realization of superconductivity in the parent compound BaFe2As2 (no bulk Tc) just by tensile lattice strain without charge doping. We investigate the interplay between strain and superconductivity in epitaxial BaFe2As2 thin films on Fe-buffered MgAl2O4 single crystalline substrates. The strong interfacial bonding between Fe and the FeAs sublattice increases the Fe-Fe distance due to the lattice misfit, which leads to a suppression of the antiferromagnetic spin density wave and induces superconductivity with bulk Tc≈10 K. These results highlight the role of structural changes in controlling the phase diagram of Fe-based superconductors.

Superconductivity bordering Rashba type topological transition

DOE PAGES

Jin, M. L.; Sun, F.; Xing, L. Y.; ...

2017-01-04

Strong spin orbital interaction (SOI) can induce unique quantum phenomena such as topological insulators, the Rashba effect, or p-wave superconductivity. Combining these three quantum phenomena into a single compound has important scientific implications. Here we report experimental observations of consecutive quantum phase transitions from a Rashba type topological trivial phase to topological insulator state then further proceeding to superconductivity in a SOI compound BiTeI tuned via pressures. The electrical resistivity measurement with V shape change signals the transition from a Rashba type topological trivial to a topological insulator phase at 2 GPa, which is caused by an energy gap closemore » then reopen with band inverse. Superconducting transition appears at 8 GPa with a critical temperature T C of 5.3 K. Structure refinements indicate that the consecutive phase transitions are correlated to the changes in the Bi–Te bond and bond angle as function of pressures. As a result, the Hall Effect measurements reveal an intimate relationship between superconductivity and the unusual change in carrier density that points to possible unconventional superconductivity.« less

Millimeter-wave Line Ratios and Sub-beam Volume Density Distributions

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

Leroy, Adam K.; Gallagher, Molly; Usero, Antonio

We explore the use of mm-wave emission line ratios to trace molecular gas density when observations integrate over a wide range of volume densities within a single telescope beam. For observations targeting external galaxies, this case is unavoidable. Using a framework similar to that of Krumholz and Thompson, we model emission for a set of common extragalactic lines from lognormal and power law density distributions. We consider the median density of gas that produces emission and the ability to predict density variations from observed line ratios. We emphasize line ratio variations because these do not require us to know themore » absolute abundance of our tracers. Patterns of line ratio variations have the potential to illuminate the high-end shape of the density distribution, and to capture changes in the dense gas fraction and median volume density. Our results with and without a high-density power law tail differ appreciably; we highlight better knowledge of the probability density function (PDF) shape as an important area. We also show the implications of sub-beam density distributions for isotopologue studies targeting dense gas tracers. Differential excitation often implies a significant correction to the naive case. We provide tabulated versions of many of our results, which can be used to interpret changes in mm-wave line ratios in terms of adjustments to the underlying density distributions.« less

A Note on the Wave Action Density of a Viscous Instability Mode on a Laminar Free-shear Flow

NASA Technical Reports Server (NTRS)

Balsa, Thomas F.

1994-01-01

Using the assumptions of an incompressible and viscous flow at large Reynolds number, we derive the evolution equation for the wave action density of an instability wave traveling on top of a laminar free-shear flow. The instability is considered to be viscous; the purpose of the present work is to include the cumulative effect of the (locally) small viscous correction to the wave, over length and time scales on which the underlying base flow appears inhomogeneous owing to its viscous diffusion. As such, we generalize our previous work for inviscid waves. This generalization appears as an additional (but usually non-negligible) term in the equation for the wave action. The basic structure of the equation remains unaltered.

High nymphal host density and mortality negatively impact parasitoid complex during an insect herbivore outbreak.

PubMed

Hall, Aidan A G; Johnson, Scott N; Cook, James M; Riegler, Markus

2017-08-26

Insect herbivore outbreaks frequently occur and this may be due to factors that restrict top-down control by parasitoids, for example, host-parasitoid asynchrony, hyperparasitization, resource limitation and climate. Few studies have examined host-parasitoid density relationships during an insect herbivore outbreak in a natural ecosystem with diverse parasitoids. We studied parasitization patterns of Cardiaspina psyllids during an outbreak in a Eucalyptus woodland. First, we established the trophic roles of the parasitoids through a species-specific multiplex PCR approach on mummies from which parasitoids emerged. Then, we assessed host-parasitoid density relationships across three spatial scales (leaf, tree and site) over one year. We detected four endoparasitoid species of the family Encyrtidae (Hymenoptera); two primary parasitoid and one heteronomous hyperparasitoid Psyllaephagus species (the latter with female development as a primary parasitoid and male development as a hyperparasitoid), and the hyperparasitoid Coccidoctonus psyllae. Parasitoid development was host-synchronized, although synchrony between sites appeared constrained during winter (due to temperature differences). Parasitization was predominantly driven by one primary parasitoid species and was mostly inversely host-density dependent across the spatial scales. Hyperparasitization by C. psyllae was psyllid-density dependent at the site scale, however, this only impacted the rarer primary parasitoid. High larval parasitoid mortality due to density-dependent nymphal psyllid mortality (a consequence of resource limitation) compounded by a summer heat wave was incorporated in the assessment and resulted in density independence of host-parasitoid relationships. As such, high larval parasitoid mortality during insect herbivore outbreaks may contribute to the absence of host density-dependent parasitization during outbreak events. © 2017 Institute of Zoology, Chinese Academy of Sciences.

Study of Linear and Nonlinear Wave Excitation

NASA Astrophysics Data System (ADS)

Chu, Feng; Berumen, Jorge; Hood, Ryan; Mattingly, Sean; Skiff, Frederick

2013-10-01

We report an experimental study of externally excited low-frequency waves in a cylindrical, magnetized, singly-ionized Argon inductively-coupled gas discharge plasma that is weakly collisional. Wave excitation in the drift wave frequency range is accomplished by low-percentage amplitude modulation of the RF plasma source. Laser-induced fluorescence is adopted to study ion-density fluctuations in phase space. The laser is chopped to separate LIF from collisional fluorescence. A single negatively-biased Langmuir probe is used to detect ion-density fluctuations in the plasma. A ring array of Langmuir probes is also used to analyze the spatial and spectral structure of the excited waves. We apply coherent detection with respect to the wave frequency to obtain the ion distribution function associated with externally generated waves. Higher-order spectra are computed to evaluate the nonlinear coupling between fluctuations at various frequencies produced by the externally generated waves. Parametric decay of the waves is observed. This work is supported by U.S. DOE Grant No. DE-FG02-99ER54543.

N-representability of the Jastrow wave function pair density of the lowest-order.

PubMed

Higuchi, Katsuhiko; Higuchi, Masahiko

2017-08-08

Conditions for the N-representability of the pair density (PD) are needed for the development of the PD functional theory. We derive sufficient conditions for the N-representability of the PD that is calculated from the Jastrow wave function within the lowest order. These conditions are used as the constraints on the correlation function of the Jastrow wave function. A concrete procedure to search the suitable correlation function is also presented.

Suspended liquid particle disturbance on laser-induced blast wave and low density distribution

NASA Astrophysics Data System (ADS)

Ukai, Takahiro; Zare-Behtash, Hossein; Kontis, Konstantinos

2017-12-01

The impurity effect of suspended liquid particles on the laser-induced gas breakdown was experimentally investigated in quiescent gas. The focus of this study is the investigation of the influence of the impurities on the shock wave structure as well as the low density distribution. A 532 nm Nd:YAG laser beam with an 188 mJ/pulse was focused on the chamber filled with suspended liquid particles 0.9 ± 0.63 μm in diameter. Several shock waves are generated by multiple gas breakdowns along the beam path in the breakdown with particles. Four types of shock wave structures can be observed: (1) the dual blast waves with a similar shock radius, (2) the dual blast waves with a large shock radius at the lower breakdown, (3) the dual blast waves with a large shock radius at the upper breakdown, and (4) the triple blast waves. The independent blast waves interact with each other and enhance the shock strength behind the shock front in the lateral direction. The triple blast waves lead to the strongest shock wave in all cases. The shock wave front that propagates toward the opposite laser focal spot impinges on one another, and thereafter a transmitted shock wave (TSW) appears. The TSW interacts with the low density core called a kernel; the kernel then longitudinally expands quickly due to a Richtmyer-Meshkov-like instability. The laser-particle interaction causes an increase in the kernel volume which is approximately five times as large as that in the gas breakdown without particles. In addition, the laser-particle interaction can improve the laser energy efficiency.

Excitation of slow waves in front of an ICRF antenna in a basic plasma experiment

NASA Astrophysics Data System (ADS)

Soni, Kunal; van Compernolle, Bart; Crombe, Kristel; van Eester, Dirk

2017-10-01

Recent results of ICRF experiments at the Large Plasma Device (LAPD) indicate parasitic coupling to the slow wave by the fast wave antenna. Plasma parameters in LAPD are similar to the scrape-off layer of current fusion devices. The machine has a 17 m long, 60 cm diameter magnetized plasma column with typical plasma parameters ne 1012 -1013 cm-3, Te 1 - 10 eV and B0 1000 G. It was found that coupling to the slow mode occurs when the plasma density in front of the antenna is low enough such that the lower hybrid resonance is present in the plasma. The radial density profile is tailored to allow for fast mode propagation in the high density core and slow mode propagation in the low density edge region. Measurements of the wave fields clearly show two distinct modes, one long wavelength m=1 fast wave mode in the core and a short wavelength backward propagating mode in the edge. Perpendicular wave numbers compare favorably to the predicted values. The experiment was done for varying frequencies, ω /Ωi = 25 , 6 and 1.5. Future experiments will investigate the dependence on antenna tilt angle with respect to the magnetic field, with and without Faraday screen. This work is performed at the Basic Plasma Science Facility, sponsored jointly by DOE and NSF.

Spatiotemporal relationships between the cell shape and the actomyosin cortex of periodically protruding cells

PubMed Central

Driscoll, Meghan K.; Losert, Wolfgang; Jacobson, Ken

2015-01-01

We investigate the dynamics of cell shape and analyze the actin and myosin distributions of cells exhibiting cortical density traveling waves. These waves propagate by repeated cycles of cortical compression (folding) and dilation (unfolding) that lead to periodic protrusions (oscillations) of the cell boundary. The focus of our detailed analysis is the remarkable periodicity of this phenotype, in which both the overall shape transformation and distribution of actomyosin density are repeated from cycle to cycle even though the characteristics of the shape transformation vary significantly for different regions of the cell. We show, using correlation analysis, that during traveling wave propagation cortical actin and plasma membrane densities are tightly coupled at each point along the cell periphery. We also demonstrate that the major protrusion appears at the wave trailing edge just after the actin cortex density has reached a maximum. Making use of the extraordinary periodicity, we employ latrunculin to demonstrate that sequestering actin monomers can have two distinct effects: low latrunculin concentrations can trigger and enhance traveling waves but higher concentrations of this drug retard the waves. The fundamental mechanism underlying this periodically protruding phenotype, involving folding and unfolding of the cortex‐membrane couple, is likely to hold important clues for diverse phenomena including cell division and amoeboid‐type migration. © 2015 The Authors. Cytoskeleton Published by Wiley Periodicals, Inc. PMID:26147497

High-frequency plasma-heating apparatus

DOEpatents

Brambilla, Marco; Lallia, Pascal

1978-01-01

An array of adjacent wave guides feed high-frequency energy into a vacuum chamber in which a toroidal plasma is confined by a magnetic field, the wave guide array being located between two toroidal current windings. Waves are excited in the wave guide at a frequency substantially equal to the lower frequency hybrid wave of the plasma and a substantially equal phase shift is provided from one guide to the next between the waves therein. For plasmas of low peripheral density gradient, the guides are excited in the TE.sub.01 mode and the output electric field is parallel to the direction of the toroidal magnetic field. For exciting waves in plasmas of high peripheral density gradient, the guides are excited in the TM.sub.01 mode and the magnetic field at the wave guide outlets is parallel to the direction of the toroidal magnetic field. The wave excited at the outlet of the wave guide array is a progressive wave propagating in the direction opposite to that of the toroidal current and is, therefore, not absorbed by so-called "runaway" electrons.

Effect of viscosity on the wave propagation: Experimental determination of compression and expansion pulse wave velocity in fluid-fill elastic tube.

PubMed

Stojadinović, Bojana; Tenne, Tamar; Zikich, Dragoslav; Rajković, Nemanja; Milošević, Nebojša; Lazović, Biljana; Žikić, Dejan

2015-11-26

The velocity by which the disturbance travels through the medium is the wave velocity. Pulse wave velocity is one of the main parameters in hemodynamics. The study of wave propagation through the fluid-fill elastic tube is of great importance for the proper biophysical understanding of the nature of blood flow through of cardiovascular system. The effect of viscosity on the pulse wave velocity is generally ignored. In this paper we present the results of experimental measurements of pulse wave velocity (PWV) of compression and expansion waves in elastic tube. The solutions with different density and viscosity were used in the experiment. Biophysical model of the circulatory flow is designed to perform measurements. Experimental results show that the PWV of the expansion waves is higher than the compression waves during the same experimental conditions. It was found that the change in viscosity causes a change of PWV for both waves. We found a relationship between PWV, fluid density and viscosity. Copyright © 2015 Elsevier Ltd. All rights reserved.

Density Estimation for New Solid and Liquid Explosives

DTIC Science & Technology

1977-02-17

The group additivity approach was shown to be applicable to density estimation. The densities of approximately 180 explosives and related compounds... of very diverse compositions were estimated, and almost all the estimates were quite reasonable. Of the 168 compounds for which direct comparisons...could be made (see Table 6), 36.9% of the estimated densities were within 1% of the measured densities, 33.3% were within 1-2%, 11.9% were within 2-3

Pressure-decoupled magnetic and structural transitions of the parent compound of iron-based 122 superconductors BaFe2As2

PubMed Central

Wu, J. J.; Lin, Jung-Fu; Wang, X. C.; Liu, Q. Q.; Zhu, J. L.; Xiao, Y. M.; Chow, P.; Jin, Changqing

2013-01-01

The recent discovery of iron ferropnictide superconductors has received intensive concern in connection with magnetically involved superconductors. Prominent features of ferropnictide superconductors are becoming apparent: the parent compounds exhibit an antiferromagnetic ordered spin density wave (SDW) state, the magnetic-phase transition is always accompanied by a crystal structural transition, and superconductivity can be induced by suppressing the SDW phase via either chemical doping or applied external pressure to the parent state. These features generated considerable interest in the interplay between magnetism and structure in chemically doped samples, showing crystal structure transitions always precede or coincide with magnetic transition. Pressure-tuned transition, on the other hand, would be more straightforward to superconducting mechanism studies because there are no disorder effects caused by chemical doping; however, remarkably little is known about the interplay in the parent compounds under controlled pressure due to the experimental challenge of in situ measuring both of magnetic and crystal structure evolution at high pressure and low temperatures. Here we show from combined synchrotron Mössbauer and X-ray diffraction at high pressures that the magnetic ordering surprisingly precedes the structural transition at high pressures in the parent compound BaFe2As2, in sharp contrast to the chemical-doping case. The results can be well understood in terms of the spin fluctuations in the emerging nematic phase before the long-range magnetic order that sheds light on understanding how the parent compound evolves from a SDW state to a superconducting phase, a key scientific inquiry of iron-based superconductors. PMID:24101468

Systematics of Structural, Phase Stability, and Cohesive Properties of η'-Cu6(Sn,In)5 Compounds Occurring in In-Sn/Cu Solder Joints

NASA Astrophysics Data System (ADS)

Ramos, S. B.; González Lemus, N. V.; Deluque Toro, C. E.; Cabeza, G. F.; Fernández Guillermet, A.

2017-07-01

Motivated by the high solubility of In in ( mC44) η'-Cu6Sn5 compound as well as the occurrence of an In-doped η'-intermetallic in the microstructure of Cu/In-Sn/Cu solder joints, a theoretical study has been carried out to investigate the various physical effects of incorporating In at Sn Wyckoff sites of the binary η'-phase. Systematic ab initio calculations using the projected augmented wave method and Vienna Ab initio Simulation Package were used to determine the composition dependence of the structural and cohesive properties of η'-Cu6(Sn,In)5 compounds, compared with those expected from the binary end-member compounds Cu6Sn5 and Cu6In5. The molar volume shows significant deviations from Vegard's law. The predicted composition dependence of the cohesive properties is discussed using two complementary approaches, viz. a valence-electron density approach as well as a bond-number approach, both accounting for the roughly linear dependence of the cohesive energy on the In content. A microscopic interpretation for this general trend is given in terms of the key contributions to chemical bonding in this class of compounds, namely Cu d-electron overlap and hybridization of Cu d-states with In and Sn p-electron states. Moreover, a crystallographic site approach is developed to accurately establish the phase-stabilizing effect of incorporating In at specific Wyckoff positions of the ( mC44) η'-Cu6Sn5 structure.

Fragmentation of protostars dust shells at the Hayashi stage

NASA Astrophysics Data System (ADS)

Abdulmyanov, T. R.

2017-09-01

The aim of this study is to determine the density variations of a protostars dust shells at the Hayashi stage. The simplified model of the density wave perturbations are obtained on the base hydrodynamic equations. According to this model, the fragmentation of dust shells may occur at the stage of slow compression of protostar. Using the solution of the wave equation, the 3-D profiles of the density of the dust shell are defined.

Probability density functions for radial anisotropy: implications for the upper 1200 km of the mantle

NASA Astrophysics Data System (ADS)

Beghein, Caroline; Trampert, Jeannot

2004-01-01

The presence of radial anisotropy in the upper mantle, transition zone and top of the lower mantle is investigated by applying a model space search technique to Rayleigh and Love wave phase velocity models. Probability density functions are obtained independently for S-wave anisotropy, P-wave anisotropy, intermediate parameter η, Vp, Vs and density anomalies. The likelihoods for P-wave and S-wave anisotropy beneath continents cannot be explained by a dry olivine-rich upper mantle at depths larger than 220 km. Indeed, while shear-wave anisotropy tends to disappear below 220 km depth in continental areas, P-wave anisotropy is still present but its sign changes compared to the uppermost mantle. This could be due to an increase with depth of the amount of pyroxene relative to olivine in these regions, although the presence of water, partial melt or a change in the deformation mechanism cannot be ruled out as yet. A similar observation is made for old oceans, but not for young ones where VSH> VSV appears likely down to 670 km depth and VPH> VPV down to 400 km depth. The change of sign in P-wave anisotropy seems to be qualitatively correlated with the presence of the Lehmann discontinuity, generally observed beneath continents and some oceans but not beneath ridges. Parameter η shows a similar age-related depth pattern as shear-wave anisotropy in the uppermost mantle and it undergoes the same change of sign as P-wave anisotropy at 220 km depth. The ratio between dln Vs and dln Vp suggests that a chemical component is needed to explain the anomalies in most places at depths greater than 220 km. More tests are needed to infer the robustness of the results for density, but they do not affect the results for anisotropy.

Upstream proton cyclotron waves at Venus near solar maximum

NASA Astrophysics Data System (ADS)

Delva, M.; Bertucci, C.; Volwerk, M.; Lundin, R.; Mazelle, C.; Romanelli, N.

2015-01-01

magnetometer data of Venus Express are analyzed for the occurrence of waves at the proton cyclotron frequency in the spacecraft frame in the upstream region of Venus, for conditions of rising solar activity. The data of two Venus years up to the time of highest sunspot number so far (1 Mar 2011 to 31 May 2012) are studied to reveal the properties of the waves and the interplanetary magnetic field (IMF) conditions under which they are observed. In general, waves generated by newborn protons from exospheric hydrogen are observed under quasi- (anti)parallel conditions of the IMF and the solar wind velocity, as is expected from theoretical models. The present study near solar maximum finds significantly more waves than a previous study for solar minimum, with an asymmetry in the wave occurrence, i.e., mainly under antiparallel conditions. The plasma data from the Analyzer of Space Plasmas and Energetic Atoms instrument aboard Venus Express enable analysis of the background solar wind conditions. The prevalence of waves for IMF in direction toward the Sun is related to the stronger southward tilt of the heliospheric current sheet for the rising phase of Solar Cycle 24, i.e., the "bashful ballerina" is responsible for asymmetric background solar wind conditions. The increase of the number of wave occurrences may be explained by a significant increase in the relative density of planetary protons with respect to the solar wind background. An exceptionally low solar wind proton density is observed during the rising phase of Solar Cycle 24. At the same time, higher EUV increases the ionization in the Venus exosphere, resulting in higher supply of energy from a higher number of newborn protons to the wave. We conclude that in addition to quasi- (anti)parallel conditions of the IMF and the solar wind velocity direction, the higher relative density of Venus exospheric protons with respect to the background solar wind proton density is the key parameter for the higher number of observable proton cyclotron waves near solar maximum.

MAVEN Observations of Solar Wind-Driven Magnetosonic Waves Heating the Martian Dayside Ionosphere

NASA Astrophysics Data System (ADS)

Fowler, C. M.; Andersson, L.; Ergun, R. E.; Harada, Y.; Hara, T.; Collinson, G.; Peterson, W. K.; Espley, J.; Halekas, J.; Mcfadden, J.; Mitchell, D. L.; Mazelle, C.; Benna, M.; Jakosky, B. M.

2018-05-01

We present Mars Atmosphere and Volatile EvolutioN observations of large-amplitude magnetosonic waves propagating through the magnetosheath into the Martian ionosphere near the subsolar point on the dayside of the planet. The observed waves grow in amplitude as predicted for a wave propagating into a denser, charged medium, with wave amplitudes reaching 25 nT, equivalent to ˜40% of the background field strength. These waves drive significant density and temperature variations (˜20% to 100% in amplitude) in the suprathermal electrons and light ion species (H+) that correlate with compressional fronts of the magnetosonic waves. Density and temperature variations are also observed for the ionospheric electrons, and heavy ion species (O+ and O2+); however, these variations are not in phase with the magnetic field variations. Whistler waves are observed at compressional wave fronts and are thought to be produced by unstable, anistropic suprathermal electrons. The magnetosonic waves drive significant ion and electron heating down to just above the exobase region. Ion heating rates are estimated to be between 0.03 and 0.2 eVs-1 per ion, and heavier ions could thus gain escape energy if located in this heating region for ˜10-70 s. The measured ionospheric density profile indicates severe ionospheric erosion above the exobase region, and this is likely caused by substantial ion outflow that is driven by the observed heating. The effectiveness of these magnetosonic waves to energize the plasma close to the exobase could have important implications for the long-term climate evolution for unmagnetized bodies that are exposed to the solar wind.

Finite Element Studies of Solitary Waves in Granular Chains

NASA Astrophysics Data System (ADS)

Musson, Ryan W.

Solitary wave propagation in a monodisperse metallic granular chain was simulated using the finite element method. The model was built to address a discrepancy between numerical and experimental results from Lazaridi and Nesterenko (J. Appl. Mech. Tech. Phys., 26 [3] 405-408 1985). In their work, solitary waves were generated in a chain of particles through impact of a piston, and results were quantified by comparing the chains' reactions to a rigid wall. Their numerical calculations resulted in a solitary wave with a force amplitude of 83 N, while it was measured experimentally to be 71 N. In the present work, the configuration of the granular chain and piston was duplicated from Lazaridi and Nesterenko (J. Appl. Mech. Tech. Phys., 26 [3] 405-408 1985). Qualitatively similar solitary waves were produced, and von Mises stress values indicated that localized plastic deformation is possible, even at low piston impact velocities. These results show that localized plastic deformation was a likely source of dissipation in experiments performed by Lazaridi and Nesterenko. Solitary wave response was investigated in the same metallic granular chain-piston system using LS-DYNA. A power-law hardening material model was used to show that localized plastic deformation is present in the metallic granular chain, even for an impact velocity of 0.5 m/s. This loss due to plastic deformation was quantified via impulse, and it was shown that the loss scales nearly linearly with impact velocity. Therefore, metallic grains may not be suitable for devices that require high amplitude solitary waves. There would be too much energy lost to plastic deformation. The response of an aluminum oxide granular chain was subsequently compared to that of a steel chain because ceramics are inherently elastic. It was shown that solitary waves travel faster and the initial peak is slightly lower when compared to a steel chain. The response of granular chains to impulse loading was investigated as a function of material properties. COMSOL Multiphysics was used to study the effect of density and elastic modulus on a granular chain with fixed Poisson's ratio. Solitary wave velocity and amplitude increased with elastic modulus. Increasing density caused a decrease in wave velocity and an increase in amplitude. In addition, higher density granular chains exhibited a decrease in the number of solitary waves in their respective solitary wave trains. LS-DYNA was then used to explore the response of a variety of ceramic and metallic granular chains. Density, elastic modulus, and Poisson's ratio were all set to representative values for the respective material. It was shown that solitary wave development and decay occur at different rates for different materials. In addition, the kinetic energy decay of the impactor was slower for glass compared with tungsten. Finally, it was shown that a single solitary wave with no train could be produced by impacting a high density, high modulus chain such as tungsten with a glass piston, which has relatively low density and elastic modulus. Increasing impact velocity for this case resulted in a single high-amplitude solitary wave with no train.

Small-scale plasma, magnetic, and neutral density fluctuations in the nightside Venus ionosphere

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

Hoegy, W.R.; Brace, L.H.; Kasprazak, W.T.

1990-04-01

Pioneer Venus orbiter measurements have shown that coherent small-scale waves exist in the electron density, the electron temperature, and the magnetic field in the lower ionosphere of Venus just downstream of the solar terminator (Brace et al., 1983). The waves become less regular and less coherent at larger solar zenith angles, and Brace et al. suggested that these structures may have evolved from the terminator waves as they are convected into the nightside ionosphere, driven by the day-to-night plasma pressure gradient. In this paper the authors describe the changes in wave characteristics with solar zenith angle and show that themore » neutral gas also has related wave characteristics, probably because of atmospheric gravity waves. The plasma pressure exceeds the magnetic pressure in the nightside ionosphere at these altitudes, and thus the magnetic field is carried along and controlled by the turbulent motion of the plasma, but the wavelike nature of the thermosphere may also be coupled to the plasma and magnetic structure. They show that there is a significant coherence between the ionosphere, thermosphere, and magnetic parameters at altitudes below about 185 km, a coherence which weakens in the antisolar region. The electron temperature and density are approximately 180{degree} out of phase and consistently exhibit the highest correlation of any pair of variables. Waves in the electron and neutral densities are moderately correlated on most orbits, but with a phase difference that varies within each orbit. The average electron temperature is higher when the average magnetic field is more horizontal; however, the correlation between temperature and dip angle does not extend to individual wave structures observed within a satellite pass, particularly in the antisolar region.« less

Waves in the middle and upper atmosphere of Mars as seen by the Radio Science Experiment MaRS on Mars Express

NASA Astrophysics Data System (ADS)

Tellmann, S.; Paetzold, M.; Häusler, B.; Hinson, D. P.; Peter, K.; Tyler, G. L.

2017-12-01

Atmospheric waves play a crucial role in the Martian atmosphere. They are responsible for the redistribution of momentum, energy and dust and for the coupling of the different atmospheric regions on Mars. Almost all kinds of waves have been observed in the lower atmosphere (e.g. stationary and transient waves, baroclinic waves as well as migrating and non-migrating thermal tides, gravity waves, etc...). Atmospheric waves are also known to exist in the middle atmosphere of Mars ( 70-120 km, e.g. by the SPICAM instrument on Mars Express). In the thermosphere, thermal tides have been observed e.g. by radio occultation or accelerometer measurements on MGS. Recently, the NGIMS instrument on MAVEN reported gravity waves in the thermosphere of Mars. Radio Science profiles from the Mars Express Radio Science experiment MaRS on Mars Express can analyse the temperature, pressure and neutral number density profiles in the lower atmosphere (from a few hundred metres above the surface up to 40-50 km) and electron density profiles in the ionosphere of Mars. Wavelike structures have been detected below the main ionospheric layers (M1 & M2) and in the topside of the ionosphere. The two coherent frequencies of the MaRS experiment allow to discriminate between plasma density fluctuations in the ionosphere and Doppler related frequency shifts caused by spacecraft movement. A careful analysis of the observed electron density fluctuations in combination with sensitivity studies of the radio occultation technique will be used to classify the observed fluctuations. The MaRS experiment is funded by DLR under grant 50QM1401.

Waves in the middle and upper atmosphere of Mars as seen by the Radio Science Experiment MaRS on Mars Express

NASA Astrophysics Data System (ADS)

Tellmann, Silvia Anna; Paetzold, Martin; Häusler, Bernd; Hinson, David P.; Peter, Kerstin; Tyler, G. Leonard

2017-10-01

Atmospheric waves play a crucial role for the dynamics in the Martian atmosphere. They are responsible for the redistribution of momentum, energy and dust and the coupling of the different atmospheric regions on Mars.Almost all kinds of waves have been observed in the lower atmosphere (e.g. stationary and transient waves, baroclinic waves as well as migrating and non-migrating thermal tides, and gravity waves). Atmospheric waves are also known to exist in the middle atmosphere of Mars (~70-120 km, e.g. by the SPICAM instrument on Mars Express). In the thermosphere, thermal tides have been observed e.g. by radio occultation or accelerometer measurements on MGS. Recently, the NGIMS instrument on MAVEN reported gravity waves in the thermosphere of Mars.Radio Science profiles from the Mars Express Radio Science experiment MaRS on Mars Express can analyse the temperature, pressure and neutral number density profiles in the lower atmosphere (from a few hundred metres above the surface up to ~ 40-50 km) and electron density profiles in the ionosphere of Mars.Wavelike structures have been detected below the main ionospheric layers (M1 & M2) and in the topside of the ionosphere. The two coherent frequencies of the MaRS experiment allow to discriminate between plasma density fluctuations in the ionosphere and Doppler related frequency shifts caused by spacecraft movement.A careful analysis of the observed electron density fluctuations in combination with sensitivity studies of the radio occultation technique will be used to classify the observed fluctuations.The MaRS experiment is funded by DLR under grant 50QM1401.

Detectability of primordial gravitational waves produced in bouncing models

NASA Astrophysics Data System (ADS)

Pinto-Neto, Nelson; Scardua, Arthur

2017-06-01

It is widely known that bouncing models with a dust hydrodynamical fluid satisfying cs2=pd/ρd≈0 , where cs , pd , ρd are the sound velocity, pressure, and energy density of the dust fluid, respectively, have almost scale invariant spectrum of scalar perturbations and negligible primordial gravitational waves. We investigate whether adding another fluid with 1 /3

Structural properties of lanthanide and actinide compounds within the plane wave pseudopotential approach

PubMed

Pickard; Winkler; Chen; Payne; Lee; Lin; White; Milman; Vanderbilt

2000-12-11

We show that plane wave ultrasoft pseudopotential methods readily extend to the calculation of the structural properties of lanthanide and actinide containing compounds. This is demonstrated through a series of calculations performed on UO, UO2, UO3, U3O8, UC2, alpha-CeC2, CeB6, CeSe, CeO2, NdB6, TmOI, LaBi, LaTiO3, YbO, and elemental Lu.

Improved Plane-Wave Ultrasound Beamforming by Incorporating Angular Weighting and Coherent Compounding in Fourier Domain.

PubMed

Chen, Chuan; Hendriks, Gijs A G M; van Sloun, Ruud J G; Hansen, Hendrik H G; de Korte, Chris L

2018-05-01

In this paper, a novel processing framework is introduced for Fourier-domain beamforming of plane-wave ultrasound data, which incorporates coherent compounding and angular weighting in the Fourier domain. Angular weighting implies spectral weighting by a 2-D steering-angle-dependent filtering template. The design of this filter is also optimized as part of this paper. Two widely used Fourier-domain plane-wave ultrasound beamforming methods, i.e., Lu's f-k and Stolt's f-k methods, were integrated in the framework. To enable coherent compounding in Fourier domain for the Stolt's f-k method, the original Stolt's f-k method was modified to achieve alignment of the spectra for different steering angles in k-space. The performance of the framework was compared for both methods with and without angular weighting using experimentally obtained data sets (phantom and in vivo), and data sets (phantom) provided by the IEEE IUS 2016 plane-wave beamforming challenge. The addition of angular weighting enhanced the image contrast while preserving image resolution. This resulted in images of equal quality as those obtained by conventionally used delay-and-sum (DAS) beamforming with apodization and coherent compounding. Given the lower computational load of the proposed framework compared to DAS, to our knowledge it can, therefore, be concluded that it outperforms commonly used beamforming methods such as Stolt's f-k, Lu's f-k, and DAS.

Phase stability in the two-dimensional anisotropic boson Hubbard Hamiltonian

DOE PAGES

Ying, T.; Batrouni, G. G.; Rousseau, V. G.; ...

2013-05-15

The two dimensional square lattice hard-core boson Hubbard model with near neighbor interactions has a ‘checkerboard’ charge density wave insulating phase at half-filling and sufficiently large intersite repulsion. When doped, rather than forming a supersolid phase in which long range charge density wave correlations coexist with a condensation of superfluid defects, the system instead phase separates. However, it is known that there are other lattice geometries and interaction patterns for which such coexistence takes place. In this paper we explore the possibility that anisotropic hopping or anisotropic near neighbor repulsion might similarly stabilize the square lattice supersolid. Lastly, by consideringmore » the charge density wave structure factor and superfluid density for different ratios of interaction strength and hybridization in the ˆx and ˆy directions, we conclude that phase separation still occurs.« less

Azo compounds as a family of organic electrode materials for alkali-ion batteries.

PubMed

Luo, Chao; Borodin, Oleg; Ji, Xiao; Hou, Singyuk; Gaskell, Karen J; Fan, Xiulin; Chen, Ji; Deng, Tao; Wang, Ruixing; Jiang, Jianjun; Wang, Chunsheng

2018-02-27

Organic compounds are desirable for sustainable Li-ion batteries (LIBs), but the poor cycle stability and low power density limit their large-scale application. Here we report a family of organic compounds containing azo group (N=N) for reversible lithiation/delithiation. Azobenzene-4,4'-dicarboxylic acid lithium salt (ADALS) with an azo group in the center of the conjugated structure is used as a model azo compound to investigate the electrochemical behaviors and reaction mechanism of azo compounds. In LIBs, ADALS can provide a capacity of 190 mAh g -1 at 0.5 C (corresponding to current density of 95 mA g -1 ) and still retain 90%, 71%, and 56% of the capacity when the current density is increased to 2 C, 10 C, and 20 C, respectively. Moreover, ADALS retains 89% of initial capacity after 5,000 cycles at 20 C with a slow capacity decay rate of 0.0023% per cycle, representing one of the best performances in all organic compounds. Superior electrochemical behavior of ADALS is also observed in Na-ion batteries, demonstrating that azo compounds are universal electrode materials for alkali-ion batteries. The highly reversible redox chemistry of azo compounds to alkali ions was confirmed by density-functional theory (DFT) calculations. It provides opportunities for developing sustainable batteries.

“Nodal Gap” induced by the incommensurate diagonal spin density modulation in underdoped high- T c superconductors

DOE PAGES

Zhou, Tao; Gao, Yi; Zhu, Jian -Xin

2015-03-07

Recenmore » tly it was revealed that the whole Fermi surface is fully gapped for several families of underdoped cuprates. The existence of the finite energy gap along the d -wave nodal lines (nodal gap) contrasts the common understanding of the d -wave pairing symmetry, which challenges the present theories for the high- T c superconductors. Here we propose that the incommensurate diagonal spin-density-wave order can account for the above experimental observation. The Fermi surface and the local density of states are also studied. Our results are in good agreement with many important experiments in high- T c superconductors.« less

The Shannon entropy information for mixed Manning Rosen potential in D-dimensional Schrodinger equation

NASA Astrophysics Data System (ADS)

Suparmi, A.; Cari, C.; Nur Pratiwi, Beta; Arya Nugraha, Dewanta

2017-01-01

D dimensional Schrodinger equation for the mixed Manning Rosen potential was investigated using supersymmetric quantum mechanics. We obtained the energy eigenvalues from radial part solution and wavefunctions in radial and angular parts solution. From the lowest radial wavefunctions, we evaluated the Shannon entropy information using Matlab software. Based on the entropy densities demonstrated graphically, we obtained that the wave of position information entropy density moves right when the value of potential parameter q increases, while its wave moves left with the increase of parameter α. The wave of momentum information entropy densities were expressed in graphs. We observe that its amplitude increase with increasing parameter q and α

Spin-density wave state in simple hexagonal graphite

NASA Astrophysics Data System (ADS)

Mosoyan, K. S.; Rozhkov, A. V.; Sboychakov, A. O.; Rakhmanov, A. L.

2018-02-01

Simple hexagonal graphite, also known as AA graphite, is a metastable configuration of graphite. Using tight-binding approximation, it is easy to show that AA graphite is a metal with well-defined Fermi surface. The Fermi surface consists of two sheets, each shaped like a rugby ball. One sheet corresponds to electron states, another corresponds to hole states. The Fermi surface demonstrates good nesting: a suitable translation in the reciprocal space superposes one sheet onto another. In the presence of the electron-electron repulsion, a nested Fermi surface is unstable with respect to spin-density-wave ordering. This instability is studied using the mean-field theory at zero temperature, and the spin-density-wave order parameter is evaluated.

Determining integral density distribution in the mach reflection of shock waves

NASA Astrophysics Data System (ADS)

Shevchenko, A. M.; Golubev, M. P.; Pavlov, A. A.; Pavlov, Al. A.; Khotyanovsky, D. V.; Shmakov, A. S.

2017-05-01

We present a method for and results of determination of the field of integral density in the structure of flow corresponding to the Mach interaction of shock waves at Mach number M = 3. The optical diagnostics of flow was performed using an interference technique based on self-adjusting Zernike filters (SA-AVT method). Numerical simulations were carried out using the CFS3D program package for solving the Euler and Navier-Stokes equations. Quantitative data on the distribution of integral density on the path of probing radiation in one direction of 3D flow transillumination in the region of Mach interaction of shock waves were obtained for the first time.

Optical study of phase transitions in single-crystalline RuP

NASA Astrophysics Data System (ADS)

Chen, R. Y.; Shi, Y. G.; Zheng, P.; Wang, L.; Dong, T.; Wang, N. L.

2015-03-01

RuP single crystals of MnP-type orthorhombic structure were synthesized by the Sn flux method. Temperature-dependent x-ray diffraction measurements reveal that the compound experiences two structural phase transitions, which are further confirmed by enormous anomalies shown in temperature-dependent resistivity and magnetic susceptibility. Particularly, the resistivity drops monotonically upon temperature cooling below the second transition, indicating that the material shows metallic behavior, in sharp contrast with the insulating ground state of polycrystalline samples. Optical conductivity measurements were also performed in order to unravel the mechanism of these two transitions. The measurement revealed a sudden reconstruction of band structure over a broad energy scale and a significant removal of conducting carriers below the first phase transition, while a charge-density-wave-like energy gap opens below the second phase transition.

Sodium Lidar-observed Strong Inertia-gravity Wave Activities in the Mesopause Region over Fort Collins, Colorado (41 deg N, 105 deg W)

NASA Technical Reports Server (NTRS)

Li, Tao; She, C. -Y.; Liu, Han-Li; Leblanc, Thierry; McDermid, I. Stuart

2007-01-01

In December 2004, the Colorado State University sodium lidar system at Fort Collins, Colorado (41 deg N, 105 deg W), conducted an approximately 80-hour continuous campaign for the simultaneous observations of mesopause region sodium density, temperature, and zonal and meridional winds. This data set reveals the significant inertia-gravity wave activities with a period of approximately 18 hours, which are strong in both wind components since UT day 338 (second day of the campaign), and weak in temperature and sodium density. The considerable variability of wave activities was observed with both wind amplitudes growing up to approximately 40 m/s at 95-100 km in day 339 and then decreasing dramatically in day 340. We also found that the sodium density wave perturbation is correlated in phase with temperature perturbation below 90 km, and approximately 180 deg out of phase above. Applying the linear wave theory, we estimated the wave horizontal propagation direction, horizontal wavelength, and apparent horizontal phase speed to be approximately 25 deg south of west, approximately 1800 +/- 150 km, and approximately 28 +/- 2 m/s, respectively of wave intrinsic period, intrinsic phase speed, and vertical wavelength were also estimated. While the onset of enhanced inertia-gravity wave amplitude in the night of 338 was observed to be in coincidence with short-period gravity wave breaking via convective instability, the decrease of inertia-gravity wave amplitude after noon of day 339 was also observed to coincide with the development of atmospheric dynamical instability layers with downward phase progression clearly correlated with the 18-hour inertia-gravity wave, suggesting likely breaking of this inertia-gravity wave via dynamical (shear) instability.

Theoretical Design on a Series of Novel Bicyclic and Cage Nitramines as High Energy Density Compounds.

PubMed

Pan, Yong; Zhu, Weihua

2017-11-30

We designed four bicyclic nitramines and three cage nitramines by incorporating -N(NO 2 )-CH 2 -N(NO 2 )-, -N(NO 2 )-, and -O- linkages based on the HMX (1,3,5,7-tetranitro-1,3,5,7-tetrazocane) framework. Then, their electronic structure, heats of formation, energetic properties, strain energy, thermal stability, and impact sensitivity were systematically studied using density functional theory (DFT). Compared to the parent compound HMX, all the title compounds have much higher density, better detonation properties, and better oxygen balance. Among them, four compounds have extraordinary high detonation properties (D > 9.70 km/s and P > 44.30 GPa). Moreover, most of the title compounds exhibit better thermal stability and lower impact sensitivity than CL-20 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane) or HNHAA (hexanitrohexaazaadamantane). Thus, all of the seven new nitramine compounds are promising candidates for high energy density compounds. In particular, five compounds exhibit a best combination of better oxygen balance, good thermal stability, excellent detonation properties superior to or comparable to CL-20 or HNHAA, and lower impact sensitivity than CL-20 or HNHAA. The results indicate that our unusual design strategy that constructing bicyclic or cage nitramines based on the HMX framework by incorporating the intramolecular linkages is very useful for developing novel energetic compounds with excellent detonation performance and low sensitivity.

Experimental analysis of drift waves destabilization in a toroidal plasma

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

Riccardi, C.; Xuantong, D.; Salierno, M.

1997-11-01

This paper concerns the study of the development of turbulence in a toroidal magnetoplasma [C. Riccardi {ital et al.}, Plasma Phys. {bold 36}, 1791 (1994)]. This analysis has been performed by evaluating wave number, frequency spectra, and bicoherence coefficients of density fluctuations associated to drift wave propagation. Plasma parameters have been changed over a wide range, in order to identify and characterize density fluctuations both in absence and in presence of nonlinear phenomena. {copyright} {ital 1997 American Institute of Physics.}

Basis convergence of range-separated density-functional theory.

PubMed

Franck, Odile; Mussard, Bastien; Luppi, Eleonora; Toulouse, Julien

2015-02-21

Range-separated density-functional theory (DFT) is an alternative approach to Kohn-Sham density-functional theory. The strategy of range-separated density-functional theory consists in separating the Coulomb electron-electron interaction into long-range and short-range components and treating the long-range part by an explicit many-body wave-function method and the short-range part by a density-functional approximation. Among the advantages of using many-body methods for the long-range part of the electron-electron interaction is that they are much less sensitive to the one-electron atomic basis compared to the case of the standard Coulomb interaction. Here, we provide a detailed study of the basis convergence of range-separated density-functional theory. We study the convergence of the partial-wave expansion of the long-range wave function near the electron-electron coalescence. We show that the rate of convergence is exponential with respect to the maximal angular momentum L for the long-range wave function, whereas it is polynomial for the case of the Coulomb interaction. We also study the convergence of the long-range second-order Møller-Plesset correlation energy of four systems (He, Ne, N2, and H2O) with cardinal number X of the Dunning basis sets cc - p(C)V XZ and find that the error in the correlation energy is best fitted by an exponential in X. This leads us to propose a three-point complete-basis-set extrapolation scheme for range-separated density-functional theory based on an exponential formula.

Effective-medium theory of elastic waves in random networks of rods.

PubMed

Katz, J I; Hoffman, J J; Conradi, M S; Miller, J G

2012-06-01

We formulate an effective medium (mean field) theory of a material consisting of randomly distributed nodes connected by straight slender rods, hinged at the nodes. Defining wavelength-dependent effective elastic moduli, we calculate both the static moduli and the dispersion relations of ultrasonic longitudinal and transverse elastic waves. At finite wave vector k the waves are dispersive, with phase and group velocities decreasing with increasing wave vector. These results are directly applicable to networks with empty pore space. They also describe the solid matrix in two-component (Biot) theories of fluid-filled porous media. We suggest the possibility of low density materials with higher ratios of stiffness and strength to density than those of foams, aerogels, or trabecular bone.

Spin wave amplification using the spin Hall effect in permalloy/platinum bilayers

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

Gladii, O.; Henry, Y.; Bailleul, M.

2016-05-16

We investigate the effect of an electrical current on the attenuation length of a 900 nm wavelength spin-wave in a permalloy/Pt bilayer using propagating spin-wave spectroscopy. The modification of the spin-wave relaxation rate is linear in current density, reaching up to 14% for a current density of 2.3 × 10{sup 11} A/m{sup 2} in Pt. This change is attributed to the spin transfer torque induced by the spin Hall effect and corresponds to an effective spin Hall angle of 0.13, which is among the highest values reported so far. The spin Hall effect thus appears as an efficient way of amplifying/attenuating propagating spin waves.

First Principles Investigation of Fluorine Based Strontium Series of Perovskites

NASA Astrophysics Data System (ADS)

Erum, Nazia; Azhar Iqbal, Muhammad

2016-11-01

Density functional theory is used to explore structural, elastic, and mechanical properties of SrLiF3, SrNaF3, SrKF3 and SrRbF3 fluoroperovskite compounds by means of an ab-initio Full Potential-Linearized Augmented Plane Wave (FP-LAPW) method. Several lattice parameters are employed to obtain accurate equilibrium volume (Vo). The resultant quantities include ground state energy, elastic constants, shear modulus, bulk modulus, young's modulus, cauchy's pressure, poisson's ratio, shear constant, ratio of elastic anisotropy factor, kleinman's parameter, melting temperature, and lame's coefficient. The calculated structural parameters via DFT as well as analytical methods are found to be consistent with experimental findings. Chemical bonding is used to investigate corresponding chemical trends which authenticate combination of covalent-ionic behavior. Furthermore electron density plots as well as elastic and mechanical properties are reported for the first time which reveals that fluorine based strontium series of perovskites are mechanically stable and posses weak resistance towards shear deformation as compared to resistance towards unidirectional compression while brittleness and ionic behavior is dominated in them which decreases from SrLiF3 to SrRbF3. Calculated cauchy's pressure, poisson's ratio and B/G ratio also proves ionic nature in these compounds. The present methodology represents an effective and influential approach to calculate the whole set of elastic and mechanical parameters which would support to understand various physical phenomena and empower device engineers for implementing these materials in numerous applications.

Spiral waves in driven dusty plasma medium: Generalized hydrodynamic fluid description

NASA Astrophysics Data System (ADS)

Kumar, Sandeep; Patel, Bhavesh; Das, Amita

2018-04-01

Spiral waves are observed in many natural phenomena. They have been extensively represented by the mathematical FitzHugh-Nagumo model [Barkley et al., Phys. Rev. A 42, 2489 (1990)] of excitable media. Also, in incompressible fluid simulations, the excitation of thermal spiral waves has been reported by Li et al. [Phys. of Fluids 22, 011701 (2010)]. In the present paper, the spatiotemporal development of spiral waves in the context of weak and strong coupling limits has been shown. While the weakly coupled medium has been represented by a simple fluid description, for strong coupling, a generalized visco-elastic fluid description has been employed. The medium has been driven by an external force in the form of a rotating electric field. It is shown that when the amplitude of force is small, the density perturbations in the medium are also small. In this case, the excitations do not develop as a spiral wave. Only when the amplitude of force is high so as to drive the density perturbations to nonlinear amplitudes does the spiral density wave formation occurs. The role of the forcing frequency and the effect of strong coupling and the sound velocity of medium in the formation and evolution of spiral waves have been investigated in detail.

Resonance in fast-wave amplitude in the periphery of cylindrical plasmas and application to edge losses of wave heating power in tokamaks

DOE PAGES

Perkins, R. J.; Hosea, J. C.; Bertelli, N.; ...

2016-07-01

Heating magnetically confined plasmas using waves in the ion-cyclotron range of frequencies typically requires coupling these waves over a steep density gradient. Furthermore, this process has produced an unexpected and deleterious phenomenon on the National Spherical Torus eXperiment (NSTX): a prompt loss of wave power along magnetic field lines in front of the antenna to the divertor. Understanding this loss may be key to achieving effective heating and expanding the operational space of NSTX-Upgrade. Here, we propose that a new type of mode, which conducts a significant fraction of the total wave power in the low-density peripheral plasma, is drivingmore » these losses. We demonstrate the existence of such modes, which are distinct from surface modes and coaxial modes, in a cylindrical cold-plasma model when a half wavelength structure fits into the region outside the core plasma. The latter condition generalizes the previous hypothesis regarding the occurence of the edge losses and may explain why full-wave simulations predict these losses in some cases but not others. If valid, this condition implies that outer gap control is a potential strategy for mitigating the losses in NSTX-Upgrade in addition to raising the magnetic field or influencing the edge density.« less

Extracting transient Rayleigh wave and its application in detecting quality of highway roadbed

USGS Publications Warehouse

Liu, J.; Xia, J.; Luo, Y.; Li, X.; Xu, S.; ,

2004-01-01

This paper first explains the tau-p mapping method of extracting Rayleigh waves (LR waves) from field shot gathers. It also explains a mathematical model of physical character parameters of quality of high-grade roads. This paper then discusses an algorithm of computing dispersion curves using adjacent channels. Shear velocity and physical character parameters are obtained by inversion of dispersion curves. The algorithm using adjacent channels to calculating dispersion curves eliminates average effects that exist by using multi-channels to obtain dispersion curves so that it improves longitudinal and transverse resolution of LR waves and precision of non-invasive detection, and also broadens its application fields. By analysis of modeling results of detached computation of the ground roll and real examples of detecting density and pressure strength of a high-grade roadbed, and by comparison of shallow seismic image method with borehole cores, we concluded that: 1 the abnormal scale and configuration obtained by LR waves are mostly the same as the result of shallow seismic image method; 2 an average relative error of density obtained from LR waves inversion is 1.6% comparing with borehole coring; 3 transient LR waves in detecting density and pressure strength of a high-grade roadbed is feasible and effective.

Instantaneous polarization statistic property of EM waves incident on time-varying reentry plasma

NASA Astrophysics Data System (ADS)

Bai, Bowen; Liu, Yanming; Li, Xiaoping; Yao, Bo; Shi, Lei

2018-06-01

An analytical method is proposed in this paper to study the effect of time-varying reentry plasma sheath on the instantaneous polarization statistic property of electromagnetic (EM) waves. Based on the disturbance property of the hypersonic fluid, the spatial-temporal model of the time-varying reentry plasma sheath is established. An analytical technique referred to as transmission line analogy is developed to calculate the instantaneous transmission coefficient of EM wave propagation in time-varying plasma. Then, the instantaneous polarization statistic theory of EM wave propagation in the time-varying plasma sheath is developed. Taking the S-band telemetry right hand circularly polarized wave as an example, effects of incident angle and plasma parameters, including the electron density and the collision frequency on the EM wave's polarization statistic property are studied systematically. Statistical results indicate that the lower the collision frequency and the larger the electron density and incident angle is, the worse the deterioration of the polarization property is. Meanwhile, in conditions of critical parameters of certain electron density, collision frequency, and incident angle, the transmitted waves have both the right and left hand polarization mode, and the polarization mode will reverse. The calculation results could provide useful information for adaptive polarization receiving of the spacecraft's reentry communication.

The soft X-ray background as a supernova blast wave viewed from inside - Solar abundance models

NASA Technical Reports Server (NTRS)

Edgar, R. J.

1986-01-01

A model of the soft X-ray background is presented in which the sun is assumed to be inside an active supernova blast wave. The blast wave evolves in a preexisting cavity. The broad band surface brightnesses is explained by such a blast wave with an explosion energy of E sub approximately 5 x 10 to the 50th power ergs and radius 80 to 100 pc, using solar abundances. An approach to treating the problem of large anisotropies in the ambient medium is also explored, accommodating the observed anticorrelation between the soft X-ray surface brightness and the 21 cm column density. It is found that only for post shock temperatures below 10 to the 6 power K a shock propagating into a density enhancement will be dimmer than a similar shock in a lower density region.

Standing Waves in a Nonuniform Medium

ERIC Educational Resources Information Center

Gluck, Paul

2011-01-01

A recent note in this journal presented a demonstration of standing waves along a cord consisting of two parts having different material densities, showing different sized wavelengths in each part. A generalization of that experiment to a continuously varying linear mass density is to vibrate a strip of material with gradually varying width (mass…

Plasma waves associated with the first AMPTE magnetotail barium release

NASA Technical Reports Server (NTRS)

Gurnett, D. A.; Anderson, R. R.; Bernhardt, P. A.; Luehr, H.; Haerendel, G.

1986-01-01

Plasma waves observed during the March 21, 1985, AMPTE magnetotail barium release are described. Electron plasma oscillations provided local measurements of the plasma density during both the expansion and decay phases. Immediately after the explosion, the electron density reached a peak of about 400,000/cu cm, and then started decreasing approximately as t to the -2.4 as the cloud expanded. About 6 minutes after the explosion, the electron density suddenly began to increase, reached a secondary peak of about 240/cu cm, and then slowly decayed down to the preevent level over a period of about 15 minutes. The density increase is believed to be caused by the collapse of the ion cloud into the diamagnetic cavity created by the initial expansion. The plasma wave intensities observed during the entire event were quite low. In the diamagnetic cavity, electrostatic emissions were observed near the barium ion plasma frequency, and in another band at lower frequencies. A broadband burst of electrostatic noise was also observed at the boundary of the diamagnetic cavity. Except for electron plasma oscillations, no significant wave activity was observed outside of the diamagnetic cavity.

Dimensional Crossover of Charge-Density Wave Correlations in the Cuprates

NASA Astrophysics Data System (ADS)

Caplan, Yosef; Orgad, Dror

2017-09-01

Short-range charge-density wave correlations are ubiquitous in underdoped cuprates. They are largely confined to the copper-oxygen planes and typically oscillate out of phase from one unit cell to the next in the c direction. Recently, it was found that a considerably longer-range charge-density wave order develops in YBa2 Cu3 O6 +x above a sharply defined crossover magnetic field. This order is more three-dimensional and is in-phase along the c axis. Here, we show that such behavior is a consequence of the conflicting ordering tendencies induced by the disorder potential and the Coulomb interaction, where the magnetic field acts to tip the scales from the former to the latter. We base our conclusion on analytic large-N analysis and Monte Carlo simulations of a nonlinear sigma model of competing superconducting and charge-density wave orders. Our results are in agreement with the observed phenomenology in the cuprates, and we discuss their implications to other members of this family, which have not been measured yet at high magnetic fields.

Small-scale plasma irregularities in the nightside Venus ionosphere

NASA Astrophysics Data System (ADS)

Grebowsky, J. M.; Curtis, S. A.; Brace, L. H.

1991-12-01

The individual volt-ampere curves from the Pioneer Venus Orbiter electron temperature probe showed evidence for small-scale density irregularities, or short-period plasma waves, in regions of the nightside ionosphere where the Orbiter electric field detector observed waves in its 100-Hz channel. A survey of the nightside volt-ampere curves has revealed several hundred examples of such irregularities. The I-V structures correspond to plasma density structure with spatial scale sizes in the range of about 100-2000 m, or alternatively they could be viewed as waves having frequencies extending toward 100 Hz. They are often seen as isolated events, with spatial extent along the orbit frequently less than 80 km. The density irregularities or waves occur in or near prominent gradients in the ambient plasma concentrations both at low altitudes where molecular ions are dominant and at higher altitudes in regions of reduced plasma density where O(+) is the major ion. Electric field 100-Hz bursts occur simultaneously, with the majority of the structured I-V curves providing demonstrative evidence that at least some of the E field signals are produced within the ionosphere.

Interaction between the lower hybrid wave and density fluctuations in the scrape-off layer

NASA Astrophysics Data System (ADS)

Peysson, Y.; Madi, M.; Decker, J.; Kabalan, K.

2015-12-01

In the present paper, the perturbation of the launched power spectrum of the Lower Hybrid wave at the separatrix by electron density fluctuations in the scrape-off layer is investigated. Considering a slab geometry with magnetic field lines parallel to the toroidal direction, the full wave equation is solved using Comsol Multiphysics® for a fully active multi-junction like LH antenna made of two modules. When electron density fluctuations are incorporated in the dielectric tensor over a thin perturbed layer in front of the grill, it is shown that the power spectrum may be strongly modified from the antenna mouth to the plasma separatrix as the wave propagates. The diffraction effect leads to the appearance of multiple satellite lobes with randomly varying positions, a feature consistent with the recently developed model that has been applied successfully to high density discharges on the Tokamak Tore Supra corresponding to the large spectral gap regime [Decker J. et al. Phys. Plasma 21 (2014) 092504]. The perturbation is found to be maximum for the Fourier components of the fluctuating spectrum in the vicinity of the launched LH wavelength.

Thermal-Wave Microscope

NASA Technical Reports Server (NTRS)

Jones, Robert E.; Kramarchuk, Ihor; Williams, Wallace D.; Pouch, John J.; Gilbert, Percy

1989-01-01

Computer-controlled thermal-wave microscope developed to investigate III-V compound semiconductor devices and materials. Is nondestructive technique providing information on subsurface thermal features of solid samples. Furthermore, because this is subsurface technique, three-dimensional imaging also possible. Microscope uses intensity-modulated electron beam of modified scanning electron microscope to generate thermal waves in sample. Acoustic waves generated by thermal waves received by transducer and processed in computer to form images displayed on video display of microscope or recorded on magnetic disk.

Alfvén simple waves

NASA Astrophysics Data System (ADS)

Webb, G. M.; Zank, G. P.; Burrows, R. H.; Ratkiewicz, R. E.

2011-02-01

Multi-dimensional Alfvén simple waves in magnetohydrodynamics (MHD) are investigated using Boillat's formalism. For simple wave solutions, all physical variables (the gas density, pressure, fluid velocity, entropy, and magnetic field induction in the MHD case) depend on a single phase function ϕ, which is a function of the space and time variables. The simple wave ansatz requires that the wave normal and the normal speed of the wave front depend only on the phase function ϕ. This leads to an implicit equation for the phase function and a generalization of the concept of a plane wave. We obtain examples of Alfvén simple waves, based on the right eigenvector solutions for the Alfvén mode. The Alfvén mode solutions have six integrals, namely that the entropy, density, magnetic pressure, and the group velocity (the sum of the Alfvén and fluid velocity) are constant throughout the wave. The eigenequations require that the rate of change of the magnetic induction B with ϕ throughout the wave is perpendicular to both the wave normal n and B. Methods to construct simple wave solutions based on specifying either a solution ansatz for n(ϕ) or B(ϕ) are developed.

Alfven Simple Waves

NASA Astrophysics Data System (ADS)

Webb, G. M.; Zank, G. P.; Burrows, R.

2009-12-01

Multi-dimensional Alfvén simple waves in magnetohydrodynamics (MHD) are investigated using Boillat's formalism. For simple wave solutions, all physical variables (the gas density, pressure, fluid velocity, entropy, and magnetic field induction in the MHD case) depend on a single phase function ǎrphi which is a function of the space and time variables. The simple wave ansatz requires that the wave normal and the normal speed of the wave front depend only on the phase function ǎrphi. This leads to an implicit equation for the phase function, and a generalisation of the concept of a plane wave. We obtain examples of Alfvén simple waves, based on the right eigenvector solutions for the Alfvén mode. The Alfvén mode solutions have six integrals, namely that the entropy, density, magnetic pressure and the group velocity (the sum of the Alfvén and fluid velocity) are constant throughout the wave. The eigen-equations require that the rate of change of the magnetic induction B with ǎrphi throughout the wave is perpendicular to both the wave normal n and B. Methods to construct simple wave solutions based on specifying either a solution ansatz for n(ǎrphi) or B(ǎrphi) are developed.

Self-propulsion of a planar electric or magnetic microbot immersed in a polar viscous fluid

NASA Astrophysics Data System (ADS)

Felderhof, B. U.

2011-05-01

A planar sheet immersed in an electrically polar liquid like water can propel itself by means of a plane wave charge density propagating in the sheet. The corresponding running electric wave polarizes the fluid and causes an electrical torque density to act on the fluid. The sheet is convected by the fluid motion resulting from the conversion of rotational particle motion, generated by the torque density, into translational fluid motion by the mechanism of friction and spin diffusion. Similarly, a planar sheet immersed in a magnetic ferrofluid can propel itself by means of a plane wave current density in the sheet and the torque density acting on the fluid corresponding to the running wave magnetic field and magnetization. The effect is studied on the basis of the micropolar fluid equations of motion and Maxwell’s equations of electrostatics or magnetostatics, respectively. An analytic expression is derived for the velocity of the sheet by perturbation theory to second order in powers of the amplitude of the driving charge or current density. Under the assumption that the equilibrium magnetic equation of state may be used in linearized form and that higher harmonics than the first may be neglected, a set of self-consistent integral equations is derived which can be solved numerically by iteration. In typical situations the second-order perturbation theory turns out to be quite accurate.

Excitation of lower hybrid waves by a spiraling ion beam in a magnetized dusty plasma cylinder

NASA Astrophysics Data System (ADS)

Sharma, Suresh C.; Walia, Ritu

2008-09-01

A spiraling ion beam propagating through a magnetized dusty plasma cylinder drives electrostatic lower hybrid waves to instability via cyclotron interaction. Numerical calculations of the growth rate and unstable mode frequencies have been carried out for the Princeton Q-1 device using the experimental dusty plasma parameters [e.g., Barkan et al., Planet. Space Sci. 43, 905 (1995)]. It is found that as the density ratio δ(=nio/neo, where ni0 is the ion plasma density and ne0 is the electron density) of negatively charged dust grains to electrons increases, the unstable mode frequency of the lower hybrid waves increases. In addition, the growth rate of the instability also increases with the density ratio δ. In other words, the presence of negatively charged dust grains can further destabilize the lower hybrid wave instability. The growth rate has the largest value for the modes where Jl(pnro) is maximum [here pn=xn/r0, where pn is the perpendicular wave number in cm-1, r0 is the plasma radius, and xn are the zeros of the Bessel function J1(x )] i.e., whose eigenfunctions peak at the location of the beam. The growth rate scales as one third power of the beam current.

Nonlinear ion-acoustic cnoidal waves in a dense relativistic degenerate magnetoplasma.

PubMed

El-Shamy, E F

2015-03-01

The complex pattern and propagation characteristics of nonlinear periodic ion-acoustic waves, namely, ion-acoustic cnoidal waves, in a dense relativistic degenerate magnetoplasma consisting of relativistic degenerate electrons and nondegenerate cold ions are investigated. By means of the reductive perturbation method and appropriate boundary conditions for nonlinear periodic waves, a nonlinear modified Korteweg-de Vries (KdV) equation is derived and its cnoidal wave is analyzed. The various solutions of nonlinear ion-acoustic cnoidal and solitary waves are presented numerically with the Sagdeev potential approach. The analytical solution and numerical simulation of nonlinear ion-acoustic cnoidal waves of the nonlinear modified KdV equation are studied. Clearly, it is found that the features (amplitude and width) of nonlinear ion-acoustic cnoidal waves are proportional to plasma number density, ion cyclotron frequency, and direction cosines. The numerical results are applied to high density astrophysical situations, such as in superdense white dwarfs. This research will be helpful in understanding the properties of compact astrophysical objects containing cold ions with relativistic degenerate electrons.

Stability of an ion-ring distribution in a multi-ion component plasma

NASA Astrophysics Data System (ADS)

Mithaiwala, Manish; Rudakov, Leonid; Ganguli, Gurudas

2010-04-01

The stability of a cold ion-ring velocity distribution in a thermal plasma is analyzed. In particular, the effect of plasma temperature and density on the instability is considered. A high ring density (compared to the background plasma) neutralizes the stabilizing effect of the warm background plasma and the ring is unstable to the generation of waves below the lower-hybrid frequency even for a very high temperature plasma. For ring densities lower than the background plasma density, there is a slow instability where the growth rate is less than the background-ion cyclotron frequency and, consequently, the background-ion response is magnetized. This is in addition to the widely discussed fast instability where the wave growth rate exceeds the background-ion cyclotron frequency and hence the background ions are effectively unmagnetized. Thus, even a low density ring is unstable to waves around the lower-hybrid frequency range for any ring speed. This implies that effectively there is no velocity threshold for a sufficiently cold ring.

Evidence for intertwined superfluid and density wave order in two dimensional 4He

NASA Astrophysics Data System (ADS)

Saunders, John

2015-03-01

We report the identification of a new state of quantum matter with intertwined superfluid and density wave order in a system of two dimensional bosons subject to a triangular lattice potential. Using a torsional oscillator we have measured the response of the second atomic layer of 4He adsorbed on the surface of graphite over a wide temperature range down to 2 mK. Superfluidity is observed over a narrow range of film densities, emerging suddenly and collapsing towards a quantum critical point, near to layer completion where a Mott insulating phase is predicted to form. The unusual temperature dependence of the superfluid density in the T --> 0 limit and the absence of a clear superfluid onset temperature are explained, self-consistently, by an ansatz for the excitation spectrum, reflecting density wave order, and a quasi-condensate wavefunction breaking both gauge and translational symmetry. In collaboration with Jan Nyeki, Anastasia Phillis, Andrew Ho, Derek Lee, Piers Coleman, Jeevak Parpia, Brian Cowan. Supported by EPSRC (U.K) EP/H048375/1.

Millimeter-wave reflectometry for electron density profile and fluctuation measurements on NSTX

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

Kubota, S.; Nguyen, X. V.; Peebles, W. A.

2001-01-01

A millimeter-wave reflectometry system for electron density profile and fluctuation measurements is being developed and installed on the National Spherical Torus Experiment. The initial frequency coverage will be in the bands 12--18, 20--32, and 33--50 GHz, provided by frequency-tunable solid-state sources. These frequencies correspond to O-mode cutoff densities ranging from 1.8x10{sup 12} to 3.1x10{sup 13}cm{sup -3}, which will span both the plasma core ({rho}=r/a<0.8) and edge ({rho}>0.8) regions. Operated as a broadband swept-frequency (frequency-modulated continuous-wave) reflectometer, the diagnostic is expected to provide routine (shot-to-shot) time- ({<=}50 {mu}s) and spatially resolved ({approx}1 cm) density profiles. The previous hardware can be easilymore » reconfigured as a fixed-frequency reflectometer for density fluctuation measurements. The combination of measurements would be valuable for studying phenomena such as possible L- to H-mode transitions and edge-localized modes.« less

Robust control algorithms for Mars aerobraking

NASA Technical Reports Server (NTRS)

Shipley, Buford W., Jr.; Ward, Donald T.

1992-01-01

Four atmospheric guidance concepts have been adapted to control an interplanetary vehicle aerobraking in the Martian atmosphere. The first two offer improvements to the Analytic Predictor Corrector (APC) to increase its robustness to density variations. The second two are variations of a new Liapunov tracking exit phase algorithm, developed to guide the vehicle along a reference trajectory. These four new controllers are tested using a six degree of freedom computer simulation to evaluate their robustness. MARSGRAM is used to develop realistic atmospheres for the study. When square wave density pulses perturb the atmosphere all four controllers are successful. The algorithms are tested against atmospheres where the inbound and outbound density functions are different. Square wave density pulses are again used, but only for the outbound leg of the trajectory. Additionally, sine waves are used to perturb the density function. The new algorithms are found to be more robust than any previously tested and a Liapunov controller is selected as the most robust control algorithm overall examined.

Scanning tunneling microscopy current from localized basis orbital density functional theory

NASA Astrophysics Data System (ADS)

Gustafsson, Alexander; Paulsson, Magnus

2016-03-01

We present a method capable of calculating elastic scanning tunneling microscopy (STM) currents from localized atomic orbital density functional theory (DFT). To overcome the poor accuracy of the localized orbital description of the wave functions far away from the atoms, we propagate the wave functions, using the total DFT potential. From the propagated wave functions, the Bardeen's perturbative approach provides the tunneling current. To illustrate the method we investigate carbon monoxide adsorbed on a Cu(111) surface and recover the depression/protrusion observed experimentally with normal/CO-functionalized STM tips. The theory furthermore allows us to discuss the significance of s - and p -wave tips.

Monitoring dynamic reactions of red blood cells to UHF electromagnetic waves radiation using a novel micro-imaging technology.

PubMed

Ruan, Ping; Yong, Junguang; Shen, Hongtao; Zheng, Xianrong

2012-12-01

Multiple state-of-the-art techniques, such as multi-dimensional micro-imaging, fast multi-channel micro-spetrophotometry, and dynamic micro-imaging analysis, were used to dynamically investigate various effects of cell under the 900 MHz electromagnetic radiation. Cell changes in shape, size, and parameters of Hb absorption spectrum under different power density electromagnetic waves radiation were presented in this article. Experimental results indicated that the isolated human red blood cells (RBCs) do not have obviously real-time responses to the ultra-low density (15 μW/cm(2), 31 μW/cm(2)) electromagnetic wave radiation when the radiation time is not more than 30 min; however, the cells do have significant reactions in shape, size, and the like, to the electromagnetic waves radiation with power densities of 1 mW/cm(2) and 5 mW/cm(2). The data also reveal the possible influences and statistical relationships among living human cell functions, radiation amount, and exposure time with high-frequency electromagnetic waves. The results of this study may be significant on protection of human being and other living organisms against possible radiation affections of the high-frequency electromagnetic waves.

Fabric dependence of wave propagation in anisotropic porous media

PubMed Central

Cowin, Stephen C.; Cardoso, Luis

2012-01-01

Current diagnosis of bone loss and osteoporosis is based on the measurement of the Bone Mineral Density (BMD) or the apparent mass density. Unfortunately, in most clinical ultrasound densitometers: 1) measurements are often performed in a single anatomical direction, 2) only the first wave arriving to the ultrasound probe is characterized, and 3) the analysis of bone status is based on empirical relationships between measurable quantities such as Speed of Sound (SOS) and Broadband Ultrasound Attenuation (BUA) and the density of the porous medium. However, the existence of a second wave in cancellous bone has been reported, which is an unequivocal signature of poroelastic media, as predicted by Biot’s poroelastic wave propagation theory. In this paper the governing equations for wave motion in the linear theory of anisotropic poroelastic materials are developed and extended to include the dependence of the constitutive relations upon fabric - a quantitative stereological measure of the degree of structural anisotropy in the pore architecture of a porous medium. This fabric-dependent anisotropic poroelastic approach is a theoretical framework to describe the microarchitectural-dependent relationship between measurable wave properties and the elastic constants of trabecular bone, and thus represents an alternative for bone quality assessment beyond BMD alone. PMID:20461539

Absorption and Modification of Lower Hybrid Waves in the Scrape Off Layer

NASA Astrophysics Data System (ADS)

Parker, R.; Wallace, G.; Shiraiwa, S.; Baek, S.-G.; Faust, I.

2015-11-01

Loss of current drive efficiency of lower hybrid waves at high density in Alcator C-Mod current drive experiments has been attributed, at least in part, to interactions in the SOL. While ray-tracing calculations indicate that collisional absorption and modification of n|| during reflections in the SOL can be significant, their validity can be called into question owing to steep SOL gradients. In order to further quantify these losses, full-wave calculations using a plane-stratified SOL model have been carried out. The results show that the loss resulting from reflections in the SOL can be substantial, with collisional losses accounting for a loss of up to 50% per bounce of the incident wave power. The loss is sensitive to the SOL parameters with the strongest collisional absorption occurring in the case of steep temperature and weak density gradients. Modification of n|| can also be significant when the density gradient and normal to the flux surfaces are not aligned. These effects are less severe for the fast wave since its penetration into the SOL is significantly less than that of the slow wave. Work supported by USDoE awards DE-FC02-99ER54512 and DE-AC02-09CH11466.

Artificial plasma cusp generated by upper hybrid instabilities in HF heating experiments at HAARP

NASA Astrophysics Data System (ADS)

Kuo, Spencer; Snyder, Arnold

2013-05-01

High Frequency Active Auroral Research Program digisonde was operated in a fast mode to record ionospheric modifications by the HF heating wave. With the O mode heater of 3.2 MHz turned on for 2 min, significant virtual height spread was observed in the heater off ionograms, acquired beginning the moment the heater turned off. Moreover, there is a noticeable bump in the virtual height spread of the ionogram trace that appears next to the plasma frequency (~ 2.88 MHz) of the upper hybrid resonance layer of the HF heating wave. The enhanced spread and the bump disappear in the subsequent heater off ionograms recorded 1 min later. The height distribution of the ionosphere in the spread situation indicates that both electron density and temperature increases exceed 10% over a large altitude region (> 30 km) from below to above the upper hybrid resonance layer. This "mini cusp" (bump) is similar to the cusp occurring in daytime ionograms at the F1-F2 layer transition, indicating that there is a small ledge in the density profile reminiscent of F1-F2 layer transitions. Two parametric processes exciting upper hybrid waves as the sidebands by the HF heating waves are studied. Field-aligned purely growing mode and lower hybrid wave are the respective decay modes. The excited upper hybrid and lower hybrid waves introduce the anomalous electron heating which results in the ionization enhancement and localized density ledge. The large-scale density irregularities formed in the heat flow, together with the density irregularities formed through the parametric instability, give rise to the enhanced virtual height spread. The results of upper hybrid instability analysis are also applied to explain the descending feature in the development of the artificial ionization layers observed in electron cyclotron harmonic resonance heating experiments.

Linear and nonlinear instability in vertical counter-current laminar gas-liquid flows

NASA Astrophysics Data System (ADS)

Schmidt, Patrick; Ó Náraigh, Lennon; Lucquiaud, Mathieu; Valluri, Prashant

2016-04-01

We consider the genesis and dynamics of interfacial instability in vertical gas-liquid flows, using as a model the two-dimensional channel flow of a thin falling film sheared by counter-current gas. The methodology is linear stability theory (Orr-Sommerfeld analysis) together with direct numerical simulation of the two-phase flow in the case of nonlinear disturbances. We investigate the influence of two main flow parameters on the interfacial dynamics, namely the film thickness and pressure drop applied to drive the gas stream. To make contact with existing studies in the literature, the effect of various density contrasts is also examined. Energy budget analyses based on the Orr-Sommerfeld theory reveal various coexisting unstable modes (interfacial, shear, internal) in the case of high density contrasts, which results in mode coalescence and mode competition, but only one dynamically relevant unstable interfacial mode for low density contrast. A study of absolute and convective instability for low density contrast shows that the system is absolutely unstable for all but two narrow regions of the investigated parameter space. Direct numerical simulations of the same system (low density contrast) show that linear theory holds up remarkably well upon the onset of large-amplitude waves as well as the existence of weakly nonlinear waves. For high density contrasts, corresponding more closely to an air-water-type system, linear stability theory is also successful at determining the most-dominant features in the interfacial wave dynamics at early-to-intermediate times. Nevertheless, the short waves selected by the linear theory undergo secondary instability and the wave train is no longer regular but rather exhibits chaotic motion. The same linear stability theory predicts when the direction of travel of the waves changes — from downwards to upwards. We outline the practical implications of this change in terms of loading and flooding. The change in direction of the wave propagation is represented graphically in terms of a flow map based on the liquid and gas flow rates and the prediction carries over to the nonlinear regime with only a small deviation.

Capillary wave theory of adsorbed liquid films and the structure of the liquid-vapor interface

NASA Astrophysics Data System (ADS)

MacDowell, Luis G.

2017-08-01

In this paper we try to work out in detail the implications of a microscopic theory for capillary waves under the assumption that the density is given along lines normal to the interface. Within this approximation, which may be justified in terms of symmetry arguments, the Fisk-Widom scaling of the density profile holds for frozen realizations of the interface profile. Upon thermal averaging of capillary wave fluctuations, the resulting density profile yields results consistent with renormalization group calculations in the one-loop approximation. The thermal average over capillary waves may be expressed in terms of a modified convolution approximation where normals to the interface are Gaussian distributed. In the absence of an external field we show that the phenomenological density profile applied to the square-gradient free energy functional recovers the capillary wave Hamiltonian exactly. We extend the theory to the case of liquid films adsorbed on a substrate. For systems with short-range forces, we recover an effective interface Hamiltonian with a film height dependent surface tension that stems from the distortion of the liquid-vapor interface by the substrate, in agreement with the Fisher-Jin theory of short-range wetting. In the presence of long-range interactions, the surface tension picks up an explicit dependence on the external field and recovers the wave vector dependent logarithmic contribution observed by Napiorkowski and Dietrich. Using an error function for the intrinsic density profile, we obtain closed expressions for the surface tension and the interface width. We show the external field contribution to the surface tension may be given in terms of the film's disjoining pressure. From literature values of the Hamaker constant, it is found that the fluid-substrate forces may be able to double the surface tension for films in the nanometer range. The film height dependence of the surface tension described here is in full agreement with results of the capillary wave spectrum obtained recently in computer simulations, and the predicted translation mode of surface fluctuations reproduces to linear order in field strength an exact solution of the density correlation function for the Landau-Ginzburg-Wilson Hamiltonian in an external field.

Linear and nonlinear instability in vertical counter-current laminar gas-liquid flows

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

Schmidt, Patrick; Lucquiaud, Mathieu; Valluri, Prashant, E-mail: prashant.valluri@ed.ac.uk

We consider the genesis and dynamics of interfacial instability in vertical gas-liquid flows, using as a model the two-dimensional channel flow of a thin falling film sheared by counter-current gas. The methodology is linear stability theory (Orr-Sommerfeld analysis) together with direct numerical simulation of the two-phase flow in the case of nonlinear disturbances. We investigate the influence of two main flow parameters on the interfacial dynamics, namely the film thickness and pressure drop applied to drive the gas stream. To make contact with existing studies in the literature, the effect of various density contrasts is also examined. Energy budget analysesmore » based on the Orr-Sommerfeld theory reveal various coexisting unstable modes (interfacial, shear, internal) in the case of high density contrasts, which results in mode coalescence and mode competition, but only one dynamically relevant unstable interfacial mode for low density contrast. A study of absolute and convective instability for low density contrast shows that the system is absolutely unstable for all but two narrow regions of the investigated parameter space. Direct numerical simulations of the same system (low density contrast) show that linear theory holds up remarkably well upon the onset of large-amplitude waves as well as the existence of weakly nonlinear waves. For high density contrasts, corresponding more closely to an air-water-type system, linear stability theory is also successful at determining the most-dominant features in the interfacial wave dynamics at early-to-intermediate times. Nevertheless, the short waves selected by the linear theory undergo secondary instability and the wave train is no longer regular but rather exhibits chaotic motion. The same linear stability theory predicts when the direction of travel of the waves changes — from downwards to upwards. We outline the practical implications of this change in terms of loading and flooding. The change in direction of the wave propagation is represented graphically in terms of a flow map based on the liquid and gas flow rates and the prediction carries over to the nonlinear regime with only a small deviation.« less

Laser acceleration of protons using multi-ion plasma gaseous targets

DOE PAGES

Liu, Tung -Chang; Shao, Xi; Liu, Chuan -Sheng; ...

2015-02-01

We present a theoretical and numerical study of a novel acceleration scheme by applying a combination of laser radiation pressure and shielded Coulomb repulsion in laser acceleration of protons in multi-species gaseous targets. By using a circularly polarized CO₂ laser pulse with a wavelength of 10 μm—much greater than that of a Ti: Sapphire laser—the critical density is significantly reduced, and a high-pressure gaseous target can be used to achieve an overdense plasma. This gives us a larger degree of freedom in selecting the target compounds or mixtures, as well as their density and thickness profiles. By impinging such amore » laser beam on a carbon–hydrogen target, the gaseous target is first compressed and accelerated by radiation pressure until the electron layer disrupts, after which the protons are further accelerated by the electron-shielded carbon ion layer. An 80 MeV quasi-monoenergetic proton beam can be generated using a half-sine shaped laser beam with a peak power of 70 TW and a pulse duration of 150 wave periods.« less

Bioconcentration kinetics of hydrophobic chemicals in different densities of Chlorella pyrenoidosa

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

Sijm, D.T.H.M.; Broersen, K.W.; Roode, D.F. de

1998-09-01

Algal density-dependent bioconcentration factors and rate constants were determined for a series of hydrophobic compounds in Chlorella pyrenoidosa. The apparent uptake rate constants of the hydrophobic compounds in algae varied between 200 and 710,000 L/kg/d, slightly increased with hydrophobicity within an experiment, were relatively constant for each algal density, and fitted fairly within existing allometric relationships. The bioavailability of the hydrophobic test compounds was significantly reduced by sorption by algal exudates. The sorption coefficients of the hydrophobic compounds to the algal exudates were between 80 and 1,200 L/kg, and were for most algal densities in the same order of magnitudemore » as the apparent bioconcentration factors to the algae, that is, between 80 and 60,200 L/kg. In typical field situations, however, no significant reduction in bioavailability due to exudates is expected. The apparent elimination rate constants of the hydrophobic compounds were high and fairly constant for each algal density and varied between 2 and 190/d. Because the apparent elimination rate constants were higher than the growth rate constant, and were independent of hydrophobicity, the authors speculated that other factors dominate excretion, such as exudate excretion-enhanced elimination. Bioconcentration factors increased less than proportional with hydrophobicity, i.e., the octanol-water partition coefficient [K{sub ow}]. The role of algal composition in bioconcentration is evaluated. Bioconcentrations (kinetics) of hydrophobic compounds that are determined at high algal densities should be applied with caution to field situations.« less

The excitation of spiral density waves through turbulent fluctuations in accretion discs - II. Numerical simulations with MRI-driven turbulence

NASA Astrophysics Data System (ADS)

Heinemann, T.; Papaloizou, J. C. B.

2009-07-01

We present fully three-dimensional local simulations of compressible magneto-rotational instability (MRI) turbulence with the object of studying and elucidating the excitation of the non-axisymmetric spiral density waves that are observed to always be present in such simulations. They are potentially important for affecting protoplanetary migration through the action of associated stochastic gravitational forces and producing residual transport in MHD inactive regions through which they may propagate. The simulations we perform are with zero net flux and produce mean activity levels corresponding to the Shakura & Syunyaev α ~ 5 × 10-3, being at the lower end of the range usually considered in accretion disc modelling. We reveal the nature of the mechanism responsible for the excitation of these waves by determining the time-dependent evolution of the Fourier transforms of the participating state variables. The dominant waves are found to have no vertical structure and to be excited during periodically repeating swings in which they change from leading to trailing. The initial phase of the evolution of such a swing is found to be in excellent agreement with that expected from the WKBJ theory developed in a preceding paper by Heinemann & Papaloizou. However, shortly after the attainment of the expected maximum wave amplitude, the waves begin to be damped on account of the formation of weak shocks. As expected from the theory, the waves are seen to shorten in radial wavelength as they propagate. This feature enables non-linear dissipation to continue in spite of amplitude decrease. As a consequence, the waves are almost always seen to be in the non-linear regime. We demonstrate that the important source terms causing excitation of the waves are related to a quantity that reduces to the potential vorticity for small perturbations from the background state with no vertical dependence. We find that the root mean square density fluctuations associated with the waves are positively correlated with both this quantity and the general level of hydromagnetic turbulence. The mean angular momentum transport associated with spiral density waves generated in our simulations is estimated to be a significant fraction of that associated with the turbulent Reynolds stress.

What Density Functional Theory could do for Quantum Information

NASA Astrophysics Data System (ADS)

Mattsson, Ann

2015-03-01

The Hohenberg-Kohn theorem of Density Functional Theory (DFT), and extensions thereof, tells us that all properties of a system of electrons can be determined through their density, which uniquely determines the many-body wave-function. Given access to the appropriate, universal, functionals of the density we would, in theory, be able to determine all observables of any electronic system, without explicit reference to the wave-function. On the other hand, the wave-function is at the core of Quantum Information (QI), with the wave-function of a set of qubits being the central computational resource in a quantum computer. While there is seemingly little overlap between DFT and QI, reliance upon observables form a key connection. Though the time-evolution of the wave-function and associated phase information is fundamental to quantum computation, the initial and final states of a quantum computer are characterized by observables of the system. While observables can be extracted directly from a system's wave-function, DFT tells us that we may be able to intuit a method for extracting them from its density. In this talk, I will review the fundamentals of DFT and how these principles connect to the world of QI. This will range from DFT's utility in the engineering of physical qubits, to the possibility of using it to efficiently (but approximately) simulate Hamiltonians at the logical level. The apparent paradox of describing algorithms based on the quantum mechanical many-body wave-function with a DFT-like theory based on observables will remain a focus throughout. The ultimate goal of this talk is to initiate a dialog about what DFT could do for QI, in theory and in practice. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Self-Calibrating Wave-Encoded Variable-Density Single-Shot Fast Spin Echo Imaging.

PubMed

Chen, Feiyu; Taviani, Valentina; Tamir, Jonathan I; Cheng, Joseph Y; Zhang, Tao; Song, Qiong; Hargreaves, Brian A; Pauly, John M; Vasanawala, Shreyas S

2018-04-01

It is highly desirable in clinical abdominal MR scans to accelerate single-shot fast spin echo (SSFSE) imaging and reduce blurring due to T 2 decay and partial-Fourier acquisition. To develop and investigate the clinical feasibility of wave-encoded variable-density SSFSE imaging for improved image quality and scan time reduction. Prospective controlled clinical trial. With Institutional Review Board approval and informed consent, the proposed method was assessed on 20 consecutive adult patients (10 male, 10 female, range, 24-84 years). A wave-encoded variable-density SSFSE sequence was developed for clinical 3.0T abdominal scans to enable high acceleration (3.5×) with full-Fourier acquisitions by: 1) introducing wave encoding with self-refocusing gradient waveforms to improve acquisition efficiency; 2) developing self-calibrated estimation of wave-encoding point-spread function and coil sensitivity to improve motion robustness; and 3) incorporating a parallel imaging and compressed sensing reconstruction to reconstruct highly accelerated datasets. Image quality was compared pairwise with standard Cartesian acquisition independently and blindly by two radiologists on a scale from -2 to 2 for noise, contrast, confidence, sharpness, and artifacts. The average ratio of scan time between these two approaches was also compared. A Wilcoxon signed-rank tests with a P value under 0.05 considered statistically significant. Wave-encoded variable-density SSFSE significantly reduced the perceived noise level and improved the sharpness of the abdominal wall and the kidneys compared with standard acquisition (mean scores 0.8, 1.2, and 0.8, respectively, P < 0.003). No significant difference was observed in relation to other features (P = 0.11). An average of 21% decrease in scan time was achieved using the proposed method. Wave-encoded variable-density sampling SSFSE achieves improved image quality with clinically relevant echo time and reduced scan time, thus providing a fast and robust approach for clinical SSFSE imaging. 1 Technical Efficacy: Stage 6 J. Magn. Reson. Imaging 2018;47:954-966. © 2017 International Society for Magnetic Resonance in Medicine.

Neuronal calcium wave propagation varies with changes in endoplasmic reticulum parameters: a computer model

PubMed Central

Neymotin, Samuel A.; McDougal, Robert A.; Sherif, Mohamed A.; Fall, Christopher P.; Hines, Michael L.; Lytton, William W.

2015-01-01

Calcium (Ca2+) waves provide a complement to neuronal electrical signaling, forming a key part of a neuron’s second messenger system. We developed a reaction-diffusion model of an apical dendrite with diffusible inositol triphosphate (IP3), diffusible Ca2+, IP3 receptors (IP3Rs), endoplasmic reticulum (ER) Ca2+ leak, and ER pump (SERCA) on ER. Ca2+ is released from ER stores via IP3Rs upon binding of IP3 and Ca2+. This results in Ca2+-induced-Ca2+-release (CICR) and increases Ca2+ spread. At least two modes of Ca2+ wave spread have been suggested: a continuous mode based on presumed relative homogeneity of ER within the cell; and a pseudo-saltatory model where Ca2+ regeneration occurs at discrete points with diffusion between them. We compared the effects of three patterns of hypothesized IP3R distribution: 1. continuous homogeneous ER, 2. hotspots with increased IP3R density (IP3R hotspots), 3. areas of increased ER density (ER stacks). All three modes produced Ca2+ waves with velocities similar to those measured in vitro (~50–90µm /sec). Continuous ER showed high sensitivity to IP3R density increases, with time to onset reduced and speed increased. Increases in SERCA density resulted in opposite effects. The measures were sensitive to changes in density and spacing of IP3R hotspots and stacks. Increasing the apparent diffusion coefficient of Ca2+ substantially increased wave speed. An extended electrochemical model, including voltage gated calcium channels and AMPA synapses, demonstrated that membrane priming via AMPA stimulation enhances subsequent Ca2+ wave amplitude and duration. Our modeling suggests that pharmacological targeting of IP3Rs and SERCA could allow modulation of Ca2+ wave propagation in diseases where Ca2+ dysregulation has been implicated. PMID:25734493

ELECTRIC CURRENT FILAMENTATION AT A NON-POTENTIAL MAGNETIC NULL-POINT DUE TO PRESSURE PERTURBATION

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

Jelínek, P.; Karlický, M.; Murawski, K., E-mail: pjelinek@prf.jcu.cz

2015-10-20

An increase of electric current densities due to filamentation is an important process in any flare. We show that the pressure perturbation, followed by an entropy wave, triggers such a filamentation in the non-potential magnetic null-point. In the two-dimensional (2D), non-potential magnetic null-point, we generate the entropy wave by a negative or positive pressure pulse that is launched initially. Then, we study its evolution under the influence of the gravity field. We solve the full set of 2D time dependent, ideal magnetohydrodynamic equations numerically, making use of the FLASH code. The negative pulse leads to an entropy wave with amore » plasma density greater than in the ambient atmosphere and thus this wave falls down in the solar atmosphere, attracted by the gravity force. In the case of the positive pressure pulse, the plasma becomes evacuated and the entropy wave propagates upward. However, in both cases, owing to the Rayleigh–Taylor instability, the electric current in a non-potential magnetic null-point is rapidly filamented and at some locations the electric current density is strongly enhanced in comparison to its initial value. Using numerical simulations, we find that entropy waves initiated either by positive or negative pulses result in an increase of electric current densities close to the magnetic null-point and thus the energy accumulated here can be released as nanoflares or even flares.« less

Wave behaviour of sporadic E-layer variations at the latitudes 30-70N

NASA Astrophysics Data System (ADS)

Ryabchenko, E. Yu.; Sherstyukov, O. N.

A wave behaviour of sporadic E-layer variations was investigated by analysing time series of twenty European ionosonde stations (30°N--80°N, 15°W--45°E) for 1985-1988. Wavelet transform was used to explore 3-30 periodicities in variations of Es-layer relative electron density δ NEs defined here as (foEs2--foE2)/foE2. Such compound parameter allowed us to partly exclude solar ionisation factor and concentrate on meteorological nature of Es-layer synoptical oscillations. A typical synoptical atmospheric 3-30 day oscillations were discovered in foEs and also in δ NEs. Due to nonorthgonal wavelet transform used in this work, it is advisable to divide frequency domain into several optimal intervals. Five periods 4,6,10,16 and 24 day were chosen which cover 3-5, 5-7, 8-12, 13-20 and 20-30 day intervals. Low value of oscillation amplitude not greater than 1.5 is typical for most of European ionospheric stations in January-March and September-December. A higher values were observed at latitudes higher than 60°N. A wave vortex were discovered during the analysis of dynamics of δ NEs spatio-temporal variations in summer for each period interval. In May and June we observed wave penetration from north and south into the middle latitudes 45°N--55°N with amplitudes up to 5.0 for the most of considered years. In Jule and August all amplitudes reach their average values.

Advanced density profile reflectometry; the state-of-the-art and measurement prospects for ITER

NASA Astrophysics Data System (ADS)

Doyle, E. J.

2006-10-01

Dramatic progress in millimeter-wave technology has allowed the realization of a key goal for ITER diagnostics, the routine measurement of the plasma density profile from millimeter-wave radar (reflectometry) measurements. In reflectometry, the measured round-trip group delay of a probe beam reflected from a plasma cutoff is used to infer the density distribution in the plasma. Reflectometer systems implemented by UCLA on a number of devices employ frequency-modulated continuous-wave (FM-CW), ultrawide-bandwidth, high-resolution radar systems. One such system on DIII-D has routinely demonstrated measurements of the density profile over a range of electron density of 0-6.4x10^19,m-3, with ˜25 μs time and ˜4 mm radial resolution, meeting key ITER requirements. This progress in performance was made possible by multiple advances in the areas of millimeter-wave technology, novel measurement techniques, and improved understanding, including: (i) fast sweep, solid-state, wide bandwidth sources and power amplifiers, (ii) dual polarization measurements to expand the density range, (iii) adaptive radar-based data analysis with parallel processing on a Unix cluster, (iv) high memory depth data acquisition, and (v) advances in full wave code modeling. The benefits of advanced system performance will be illustrated using measurements from a wide range of phenomena, including ELM and fast-ion driven mode dynamics, L-H transition studies and plasma-wall interaction. The measurement capabilities demonstrated by these systems provide a design basis for the development of the main ITER profile reflectometer system. This talk will explore the extent to which these reflectometer system designs, results and experience can be translated to ITER, and will identify what new studies and experimental tests are essential.

Blobs and drift wave dynamics

DOE PAGES

Zhang, Yanzeng; Krasheninnikov, S. I.

2017-09-29

The modified Hasegawa-Mima equation retaining all nonlinearities is investigated from the point of view of the formation of blobs. The linear analysis shows that the amplitude of the drift wave packet propagating in the direction of decreasing background plasma density increases and eventually saturates due to nonlinear effects. Nonlinear modification of the time averaged plasma density profile results in the formation of large amplitude modes locked in the radial direction, but still propagating in the poloidal direction, which resembles the experimentally observed chain of blobs propagating in the poloidal direction. Such specific density profiles, causing the locking of drift waves,more » could form naturally at the edge of tokamak due to a neutral ionization source. Thus, locked modes can grow in situ due to plasma instabilities, e.g., caused by finite resistivity. Furthermore, the modulation instability (in the poloidal direction) of these locked modes can result in a blob-like burst of plasma density.« less

Internal density waves of shock type induced by chemoconvection in miscible reacting liquids

NASA Astrophysics Data System (ADS)

Bratsun, D. A.

2017-10-01

A theoretical explanation of the phenomenon of spontaneous emergence of density waves experimentally observed recently in bilayered systems of miscible liquids placed in a narrow vertical gap of the Hele-Shaw cell in the gravitational field is provided. Upper and lower layers represent aqueous solutions of acids and bases, respectively, whose contact leads to the beginning of a neutralization reaction. The process is accompanied by a strong dependence of the reagent's diffusion coefficients on their concentrations, giving rise to the generation of local density pockets, in which convection develops. The cavities collapse under certain conditions, causing a density jump, which moves faster than typical perturbations in a medium and takes the form of a shock wave. A mathematical model of the phenomenon is proposed, which can be formally reduced to equations of motion of a compressible gas under certain assumptions. Numerical calculations are given and compared with the experimental data.

Effects of Coulomb collisions on cyclotron maser and plasma wave growth in magnetic loops

NASA Technical Reports Server (NTRS)

Hamilton, Russell J.; Petrosian, Vahe

1990-01-01

The evolution of nonthermal electrons accelerated in magnetic loops is determined by solving the kinetic equation, including magnetic field convergence and Coulomb collisions in order to determine the effects of these interactions on the induced cyclotron maser and plasma wave growth. It is found that the growth rates are larger and the possibility of cyclotron maser action is stronger for smaller loop column density, for larger magnetic field convergence, for a more isotropic injected electron pitch angle distribution, and for more impulsive acceleration. For modest values of the column density in the coronal portion of a flaring loop, the growth rates of instabilities are significantly reduced, and the reduction is much larger for the cyclotron modes than for the plasma wave modes. The rapid decrease in the growth rates with increasing loop column density suggests that, in flare loops when such phenomena occur, the densities are lower than commonly accepted.

Strong terahertz emission by optical rectification of shaped laser pulse in transversely magnetized plasma

NASA Astrophysics Data System (ADS)

Singh, Ram Kishor; Singh, Monika; Rajouria, Satish Kumar; Sharma, R. P.

2017-07-01

This communication presents a theoretical model for efficient terahertz (THz) radiation generation by the optical rectification of shaped laser pulse in transversely magnetised ripple density plasma. The laser beam imparts a nonlinear ponderomotive force to the electron and this force exerts a nonlinear velocity component in both transverse and axial directions which have spectral components in the THz range. These velocity components couple with the pre-existing density ripple and give rise to a strong nonlinear current density which drives the THz wave in the plasma. The THz yield increases with the increasing strength of the background magnetic field and the sensitivity depends on the ripple wave number. The emitted power is directly proportional to the square of the amplitude of the density ripple. For exact phase matching condition, the normalised power of the generated THz wave can be achieved of the order of 10-4.

Mode conversion in cold low-density plasma with a sheared magnetic field

DOE PAGES

Dodin, I. Y.; Ruiz, D. E.; Kubo, S.

2017-12-19

Here, a theory is proposed that describes mutual conversion of two electromagnetic modes in cold low-density plasma, specifically, in the high-frequency limit where the ion response is negligible. In contrast to the classic (Landau–Zener-type) theory of mode conversion, the region of resonant coupling in low-density plasma is not necessarily narrow, so the coupling matrix cannot be approximated with its first-order Taylor expansion; also, the initial conditions are set up differently. For the case of strong magnetic shear, a simple method is identified for preparing a two-mode wave such that it transforms into a single-mode wave upon entering high-density plasma. Themore » theory can be used for reduced modeling of wave-power input in fusion plasmas. In particular, applications are envisioned in stellarator research, where the mutual conversion of two electromagnetic modes near the plasma edge is a known issue.« less

Current drive at plasma densities required for thermonuclear reactors.

PubMed

Cesario, R; Amicucci, L; Cardinali, A; Castaldo, C; Marinucci, M; Panaccione, L; Santini, F; Tudisco, O; Apicella, M L; Calabrò, G; Cianfarani, C; Frigione, D; Galli, A; Mazzitelli, G; Mazzotta, C; Pericoli, V; Schettini, G; Tuccillo, A A

2010-08-10

Progress in thermonuclear fusion energy research based on deuterium plasmas magnetically confined in toroidal tokamak devices requires the development of efficient current drive methods. Previous experiments have shown that plasma current can be driven effectively by externally launched radio frequency power coupled to lower hybrid plasma waves. However, at the high plasma densities required for fusion power plants, the coupled radio frequency power does not penetrate into the plasma core, possibly because of strong wave interactions with the plasma edge. Here we show experiments performed on FTU (Frascati Tokamak Upgrade) based on theoretical predictions that nonlinear interactions diminish when the peripheral plasma electron temperature is high, allowing significant wave penetration at high density. The results show that the coupled radio frequency power can penetrate into high-density plasmas due to weaker plasma edge effects, thus extending the effective range of lower hybrid current drive towards the domain relevant for fusion reactors.

Mode conversion in cold low-density plasma with a sheared magnetic field

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

Dodin, I. Y.; Ruiz, D. E.; Kubo, S.

Here, a theory is proposed that describes mutual conversion of two electromagnetic modes in cold low-density plasma, specifically, in the high-frequency limit where the ion response is negligible. In contrast to the classic (Landau–Zener-type) theory of mode conversion, the region of resonant coupling in low-density plasma is not necessarily narrow, so the coupling matrix cannot be approximated with its first-order Taylor expansion; also, the initial conditions are set up differently. For the case of strong magnetic shear, a simple method is identified for preparing a two-mode wave such that it transforms into a single-mode wave upon entering high-density plasma. Themore » theory can be used for reduced modeling of wave-power input in fusion plasmas. In particular, applications are envisioned in stellarator research, where the mutual conversion of two electromagnetic modes near the plasma edge is a known issue.« less

The Electronic and Electro-Optic Future of III-V Semiconductor Compounds.

DTIC Science & Technology

1978-12-01

An assessment of material development of III-V compounds for electro - optic , microwave and millimeter wave technology is presented. Questions concerning material selection, needs and processing is addressed. (Author)

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

Castaño-González, E.-E.; Seña, N.; Mendoza-Estrada, V.

In this paper, we carried out first-principles calculations in order to investigate the structural and electronic properties of the binary compound gallium antimonide (GaSb). This theoretical study was carried out using the Density Functional Theory within the plane-wave pseudopotential method. The effects of exchange and correlation (XC) were treated using the functional Local Density Approximation (LDA), generalized gradient approximation (GGA): Perdew–Burke–Ernzerhof (PBE), Perdew-Burke-Ernzerhof revised for solids (PBEsol), Perdew-Wang91 (PW91), revised Perdew–Burke–Ernzerhof (rPBE), Armiento–Mattson 2005 (AM05) and meta-generalized gradient approximation (meta-GGA): Tao–Perdew–Staroverov–Scuseria (TPSS) and revised Tao–Perdew–Staroverov–Scuseria (RTPSS) and modified Becke-Johnson (MBJ). We calculated the densities of state (DOS) and band structuremore » with different XC potentials identified and compared them with the theoretical and experimental results reported in the literature. It was discovered that functional: LDA, PBEsol, AM05 and RTPSS provide the best results to calculate the lattice parameters (a) and bulk modulus (B{sub 0}); while for the cohesive energy (E{sub coh}), functional: AM05, RTPSS and PW91 are closer to the values obtained experimentally. The MBJ, Rtpss and AM05 values found for the band gap energy is slightly underestimated with those values reported experimentally.« less

Generalization of the Kohn-Sham system that can represent arbitrary one-electron density matrices

DOE PAGES

Hubertus J. J. van Dam

2016-04-27

Density functional theory is currently the most widely applied method in electronic structure theory. The Kohn-Sham method, based on a fictitious system of noninteracting particles, is the workhorse of the theory. The particular form of the Kohn-Sham wave function admits only idempotent one-electron density matrices whereas wave functions of correlated electrons in post-Hartree-Fock methods invariably have fractional occupation numbers. Here we show that by generalizing the orbital concept and introducing a suitable dot product as well as a probability density, a noninteracting system can be chosen that can represent the one-electron density matrix of any system, even one with fractionalmore » occupation numbers. This fictitious system ensures that the exact electron density is accessible within density functional theory. It can also serve as the basis for reduced density matrix functional theory. Moreover, to aid the analysis of the results the orbitals may be assigned energies from a mean-field Hamiltonian. This produces energy levels that are akin to Hartree-Fock orbital energies such that conventional analyses based on Koopmans' theorem are available. Lastly, this system is convenient in formalisms that depend on creation and annihilation operators as they are trivially applied to single-determinant wave functions.« less

Shock Waves in a Bose-Einstein Condensate

NASA Technical Reports Server (NTRS)

Kulikov, Igor; Zak, Michail

2005-01-01

A paper presents a theoretical study of shock waves in a trapped Bose-Einstein condensate (BEC). The mathematical model of the BEC in this study is a nonlinear Schroedinger equation (NLSE) in which (1) the role of the wave function of a single particle in the traditional Schroedinger equation is played by a space- and time-dependent complex order parameter (x,t) proportional to the square root of the density of atoms and (2) the atoms engage in a repulsive interaction characterized by a potential proportional to | (x,t)|2. Equations that describe macroscopic perturbations of the BEC at zero temperature are derived from the NLSE and simplifying assumptions are made, leading to equations for the propagation of sound waves and the transformation of sound waves into shock waves. Equations for the speeds of shock waves and the relationships between jumps of velocity and density across shock fronts are derived. Similarities and differences between this theory and the classical theory of sound waves and shocks in ordinary gases are noted. The present theory is illustrated by solving the equations for the example of a shock wave propagating in a cigar-shaped BEC.

Evidence of L-mode electromagnetic wave pumping of ionospheric plasma near geomagnetic zenith

NASA Astrophysics Data System (ADS)

Leyser, Thomas B.; James, H. Gordon; Gustavsson, Björn; Rietveld, Michael T.

2018-02-01

The response of ionospheric plasma to pumping by powerful HF (high frequency) electromagnetic waves transmitted from the ground into the ionosphere is the strongest in the direction of geomagnetic zenith. We present experimental results from transmitting a left-handed circularly polarized HF beam from the EISCAT (European Incoherent SCATter association) Heating facility in magnetic zenith. The CASSIOPE (CAScade, Smallsat and IOnospheric Polar Explorer) spacecraft in the topside ionosphere above the F-region density peak detected transionospheric pump radiation, although the pump frequency was below the maximum ionospheric plasma frequency. The pump wave is deduced to arrive at CASSIOPE through L-mode propagation and associated double (O to Z, Z to O) conversion in pump-induced radio windows. L-mode propagation allows the pump wave to reach higher plasma densities and higher ionospheric altitudes than O-mode propagation so that a pump wave in the L-mode can facilitate excitation of upper hybrid phenomena localized in density depletions in a larger altitude range. L-mode propagation is therefore suggested to be important in explaining the magnetic zenith effect.

Gravity dual of spin and charge density waves

NASA Astrophysics Data System (ADS)

Jokela, Niko; Järvinen, Matti; Lippert, Matthew

2014-12-01

At high enough charge density, the homogeneous state of the D3-D7' model is unstable to fluctuations at nonzero momentum. We investigate the end point of this instability, finding a spatially modulated ground state, which is a charge and spin density wave. We analyze the phase structure of the model as a function of chemical potential and magnetic field and find the phase transition from the homogeneous state to be first order, with a second-order critical point at zero magnetic field.

Comparing ab initio density-functional and wave function theories: the impact of correlation on the electronic density and the role of the correlation potential.

PubMed

Grabowski, Ireneusz; Teale, Andrew M; Śmiga, Szymon; Bartlett, Rodney J

2011-09-21

The framework of ab initio density-functional theory (DFT) has been introduced as a way to provide a seamless connection between the Kohn-Sham (KS) formulation of DFT and wave-function based ab initio approaches [R. J. Bartlett, I. Grabowski, S. Hirata, and S. Ivanov, J. Chem. Phys. 122, 034104 (2005)]. Recently, an analysis of the impact of dynamical correlation effects on the density of the neon atom was presented [K. Jankowski, K. Nowakowski, I. Grabowski, and J. Wasilewski, J. Chem. Phys. 130, 164102 (2009)], contrasting the behaviour for a variety of standard density functionals with that of ab initio approaches based on second-order Møller-Plesset (MP2) and coupled cluster theories at the singles-doubles (CCSD) and singles-doubles perturbative triples [CCSD(T)] levels. In the present work, we consider ab initio density functionals based on second-order many-body perturbation theory and coupled cluster perturbation theory in a similar manner, for a range of small atomic and molecular systems. For comparison, we also consider results obtained from MP2, CCSD, and CCSD(T) calculations. In addition to this density based analysis, we determine the KS correlation potentials corresponding to these densities and compare them with those obtained for a range of ab initio density functionals via the optimized effective potential method. The correlation energies, densities, and potentials calculated using ab initio DFT display a similar systematic behaviour to those derived from electronic densities calculated using ab initio wave function theories. In contrast, typical explicit density functionals for the correlation energy, such as VWN5 and LYP, do not show behaviour consistent with this picture of dynamical correlation, although they may provide some degree of correction for already erroneous explicitly density-dependent exchange-only functionals. The results presented here using orbital dependent ab initio density functionals show that they provide a treatment of exchange and correlation contributions within the KS framework that is more consistent with traditional ab initio wave function based methods.

Deciphering the embedded wave in Saturn's Maxwell ringlet

NASA Astrophysics Data System (ADS)

French, Richard G.; Nicholson, Philip D.; Hedman, Mathew M.; Hahn, Joseph M.; McGhee-French, Colleen A.; Colwell, Joshua E.; Marouf, Essam A.; Rappaport, Nicole J.

2016-11-01

The eccentric Maxwell ringlet in Saturn's C ring is home to a prominent wavelike structure that varies strongly and systematically with true anomaly, as revealed by nearly a decade of high-SNR Cassini occultation observations. Using a simple linear "accordion" model to compensate for the compression and expansion of the ringlet and the wave, we derive a mean optical depth profile for the ringlet and a set of rescaled, background-subtracted radial wave profiles. We use wavelet analysis to identify the wave as a 2-armed trailing spiral, consistent with a density wave driven by an m = 2 outer Lindblad resonance (OLR), with a pattern speed Ωp = 1769.17° d-1 and a corresponding resonance radius ares = 87530.0 km. Estimates of the surface mass density of the Maxwell ringlet range from a mean value of 11g cm-2 derived from the self-gravity model to 5 - 12gcm-2 , as inferred from the wave's phase profile and a theoretical dispersion relation. The corresponding opacity is about 0.12 cm2 g-1, comparable to several plateaus in the outer C ring (Hedman, M.N., Nicholson, P.D. [2014]. Mont. Not. Roy. Astron. Soc. 444, 1369-1388). A linear density wave model using the derived wave phase profile nicely matches the wave's amplitude, wavelength, and phase in most of our observations, confirming the accuracy of the pattern speed and demonstrating the wave's coherence over a period of 8 years. However, the linear model fails to reproduce the narrow, spike-like structures that are prominent in the observed optical depth profiles. Using a symplectic N-body streamline-based dynamical code (Hahn, J.M., Spitale, J.N. [2013]. Astrophys. J. 772, 122), we simulate analogs of the Maxwell ringlet, modeled as an eccentric ringlet with an embedded wave driven by a fictitious satellite with an OLR located within the ring. The simulations reproduce many of the features of the actual observations, including strongly asymmetric peaks and troughs in the inward-propagating density wave. We argue that the Maxwell ringlet wave is generated by a sectoral normal-mode oscillation inside Saturn with ℓ = m = 2 , similar to other planetary internal modes that have been inferred from density waves observed in Saturn's C ring (Hedman, M.N., Nicholson, P.D. [2013]. Astron. J. 146, 12; Hedman, M.N., Nicholson, P.D. [2014]. Mont. Not. Roy. Astron. Soc. 444, 1369-1388). Our identification of a third m = 2 mode associated with saturnian internal oscillations supports the suggestions of mode splitting by Fuller et al. (Fuller, J., Lai, D., Storch, N.I. [2014]. Icarus 231, 34-50) and Fuller (Fuller, J. [2014]. Icarus 242, 283-296). The fitted amplitude of the wave, if it is interpreted as driven by the ℓ = m = 2 f-mode, implies a radial amplitude at the 1 bar level of ∼ 50 cm, according to the models of Marley and Porco (Marley, M.S., Porco, C.C. [1993]. Icarus 106, 508).

dc Resistivity of Quantum Critical, Charge Density Wave States from Gauge-Gravity Duality

NASA Astrophysics Data System (ADS)

Amoretti, Andrea; Areán, Daniel; Goutéraux, Blaise; Musso, Daniele

2018-04-01

In contrast to metals with weak disorder, the resistivity of weakly pinned charge density waves (CDWs) is not controlled by irrelevant processes relaxing momentum. Instead, the leading contribution is governed by incoherent, diffusive processes which do not drag momentum and can be evaluated in the clean limit. We compute analytically the dc resistivity for a family of holographic charge density wave quantum critical phases and discuss its temperature scaling. Depending on the critical exponents, the ground state can be conducting or insulating. We connect our results to dc electrical transport in underdoped cuprate high Tc superconductors. We conclude by speculating on the possible relevance of unstable, semilocally critical CDW states to the strange metallic region.

Simulation Of Wave Function And Probability Density Of Modified Poschl Teller Potential Derived Using Supersymmetric Quantum Mechanics

NASA Astrophysics Data System (ADS)

Angraini, Lily Maysari; Suparmi, Variani, Viska Inda

2010-12-01

SUSY quantum mechanics can be applied to solve Schrodinger equation for high dimensional system that can be reduced into one dimensional system and represented in lowering and raising operators. Lowering and raising operators can be obtained using relationship between original Hamiltonian equation and the (super) potential equation. In this paper SUSY quantum mechanics is used as a method to obtain the wave function and the energy level of the Modified Poschl Teller potential. The graph of wave function equation and probability density is simulated by using Delphi 7.0 programming language. Finally, the expectation value of quantum mechanics operator could be calculated analytically using integral form or probability density graph resulted by the programming.

dc Resistivity of Quantum Critical, Charge Density Wave States from Gauge-Gravity Duality.

PubMed

Amoretti, Andrea; Areán, Daniel; Goutéraux, Blaise; Musso, Daniele

2018-04-27

In contrast to metals with weak disorder, the resistivity of weakly pinned charge density waves (CDWs) is not controlled by irrelevant processes relaxing momentum. Instead, the leading contribution is governed by incoherent, diffusive processes which do not drag momentum and can be evaluated in the clean limit. We compute analytically the dc resistivity for a family of holographic charge density wave quantum critical phases and discuss its temperature scaling. Depending on the critical exponents, the ground state can be conducting or insulating. We connect our results to dc electrical transport in underdoped cuprate high T_{c} superconductors. We conclude by speculating on the possible relevance of unstable, semilocally critical CDW states to the strange metallic region.

A comparison of solar wind and ionospheric ion acoustic waves

NASA Technical Reports Server (NTRS)

Kintner, P. M.; Kelley, M. C.

1980-01-01

Ion acoustic waves produced during the Trigger experiment are compared to ion acoustic waves observed in the solar wind. After normalizing to the Debye length the spectra are nearly identical, although the ionospheric wave relative energy density is 100 times larger than the solar wind case.

Numerical Simulations of Shock Wave Refraction at Inclined Gas Contact Discontinuity

ERIC Educational Resources Information Center

Bulat, Pavel V.; Volkov, Konstantin N.

2016-01-01

When a shock wave interacts with a contact discontinuity, there may appear a reflected rarefaction wave, a deflected contact discontinuity and a refracted supersonic shock. The numerical simulation of shock wave refraction at a plane contact discontinuity separating gases with different densities is performed. Euler equations describing inviscid…

Propagation of electromagnetic waves parallel to the magnetic field in the nightside Venus ionosphere

NASA Technical Reports Server (NTRS)

Huba, J. D.; Rowland, H. L.

1993-01-01

The propagation of electromagnetic waves parallel to the magnetic field in the nightside Venus ionosphere is presented in a theoretical and numerical analysis. The model assumes a source of electromagnetic radiation in the Venus atmosphere, such as that produced by lightning. Specifically addressed is wave propagation in the altitude range z = 130-160 km at the four frequencies detectable by the Pioneer Venus Orbiter Electric Field Detector: 100 Hz, 730 Hz, 5.4 kHz, and 30 kHz. Parameterizations of the wave intensities, peak electron density, and Poynting flux as a function of magnetic field are presented. The waves are found to propagate most easily in conditions of low electron density and high magnetic field. The results of the model are consistent with observational data.

A new approach to detecting gravitational waves via the coupling of gravity to the zero-point energy of the phonon modes of a superconductor

NASA Astrophysics Data System (ADS)

Inan, Nader A.

The response of a superconductor to a gravitational wave is shown to obey a London-like constituent equation. The Cooper pairs are described by the Ginzburg-Landau free energy density embedded in curved spacetime. The lattice ions are modeled by quantum harmonic oscillators characterized by quasi-energy eigenvalues. This formulation is shown to predict a dynamical Casimir effect since the zero-point energy of the ionic lattice phonons is modulated by the gravitational wave. It is also shown that the response to a gravitational wave is far less for the Cooper pair density than for the ionic lattice. This predicts a “charge separation effect” which can be used to detect the passage of a gravitational wave.

Newtonian noise and ambient ground motion for gravitational wave detectors

NASA Astrophysics Data System (ADS)

Beker, M. G.; van den Brand, J. F. J.; Hennes, E.; Rabeling, D. S.

2012-06-01

Fluctuations of the local gravitational field as a result of seismic and atmospheric displacements will limit the sensitivity of ground based gravitational wave detectors at frequencies below 10 Hz. We discuss the implications of Newtonian noise for future third generation gravitational wave detectors. The relevant seismic wave fields are predominately of human origin and are dependent on local infrastructure and population density. Seismic studies presented here show that considerable seismic noise reduction is possible compared to current detector locations. A realistic seismic amplitude spectral density of a suitably quiet site should not exceed 0.5 nm/(Hz/f)2 above 1 Hz. Newtonian noise models have been developed both analytically and by finite element analysis. These show that the contribution to Newtonian noise from surface waves due to distance sources significantly reduces with depth. Seismic displacements from local sources and body waves then become the dominant contributors to the Newtonian fluctuations.

Cylindrical ion-acoustic solitary waves in electronegative plasmas with superthermal electrons

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

Eslami, Parvin; Mottaghizadeh, Marzieh

2012-06-15

By using the standard reductive perturbation technique, a three-dimensional cylindrical Kadomtsev-Petviashvili equation (CKPE), which governs the dynamics of ion acoustic solitary waves (IASWs), is derived for small but finite amplitude ion-acoustic waves in cylindrical geometry in a collisionless unmagnetized plasma with kappa distributed electrons, thermal positrons, and cold ions. The generalized expansion method is used to solve analytically the CKPE. The existence regions of localized pulses are investigated. It is found that the solution of the CKPE supports only compressive solitary waves. Furthermore, the effects of superthermal electrons, the ratio of the electron temperature to positron temperature, the ratio ofmore » the positron density to electron density and direction cosine of the wave propagation on the profiles of the amplitudes, and widths of the solitary structures are examined numerically. It is shown these parameters play a vital role in the formation of ion acoustic solitary waves.« less

On reflection of Alfven waves in the solar wind

NASA Technical Reports Server (NTRS)

Krogulec, M.; Musielak, Z. E.; Suess, S. T.; Moore, R. L.; Nerney, S. F.

1993-01-01

We have revisited the problem of propagation of toroidal and linear Alfven waves formulated by Heinemann and Olbert (1980) to compare WKB and non-WKB waves and their effects on the solar wind. They considered two solar wind models and showed that reflection is important for Alfven waves with periods of the order of one day and longer, and that non-WKB Alfven waves are no more effective in accelerating the solar wind than WKB waves. There are several recently published papers which seem to indicate that Alfven waves with periods of the order of several minutes should be treated as non-WKB waves and that these non-WKB waves exert a stronger acceleration force than WKB waves. The purpose of this paper is to study the origin of these discrepancies by performing parametric studies of the behavior of the waves under a variety of different conditions. In addition, we want to investigate two problems that have not been addressed by Heinemann and Olbert, namely, calculate the efficiency of Alfven wave reflection by using the reflection coefficient and identify the region of strongest wave reflection in different wind models. To achieve these goals, we investigated the influence of temperature, electron density distribution, wind velocity and magnetic field strength on the waves. The obtained results clearly demonstrate that Alfven wave reflection is strongly model dependent and that the strongest reflection can be expected in models with the base temperatures higher than 10(exp 6) K and with the base densities lower than 7 x 10(exp 7) cm(exp -3). In these models as well as in the models with lower temperatures and higher densities, Alfven waves with periods as short as several minutes have negligible reflection so that they can be treated as WKB waves; however, for Alfven waves with periods of the order of one hour or longer reflection is significant, requiring a non-WKB treatment. We also show that non-WKB, linear Alfven waves are always less effective in accelerating the plasma than WKB Alfven waves. Finally, it is evident from our results that the region of strongest wave reflection is usually located at the base of the models, and hence that interpretation of wave reflection based solely on the reflection coefficient can be misleading.

On reflection of Alfven waves in the solar wind

NASA Astrophysics Data System (ADS)

Krogulec, M.; Musielak, Z. E.; Suess, S. T.; Moore, R. L.; Nerney, S. F.

We have revisited the problem of propagation of toroidal and linear Alfven waves formulated by Heinemann and Olbert (1980) to compare WKB and non-WKB waves and their effects on the solar wind. They considered two solar wind models and showed that reflection is important for Alfven waves with periods of the order of one day and longer, and that non-WKB Alfven waves are no more effective in accelerating the solar wind than WKB waves. There are several recently published papers which seem to indicate that Alfven waves with periods of the order of several minutes should be treated as non-WKB waves and that these non-WKB waves exert a stronger acceleration force than WKB waves. The purpose of this paper is to study the origin of these discrepancies by performing parametric studies of the behavior of the waves under a variety of different conditions. In addition, we want to investigate two problems that have not been addressed by Heinemann and Olbert, namely, calculate the efficiency of Alfven wave reflection by using the reflection coefficient and identify the region of strongest wave reflection in different wind models. To achieve these goals, we investigated the influence of temperature, electron density distribution, wind velocity and magnetic field strength on the waves. The obtained results clearly demonstrate that Alfven wave reflection is strongly model dependent and that the strongest reflection can be expected in models with the base temperatures higher than 106 K and with the base densities lower than 7 x 107 cm-3. In these models as well as in the models with lower temperatures and higher densities, Alfven waves with periods as short as several minutes have negligible reflection so that they can be treated as WKB waves; however, for Alfven waves with periods of the order of one hour or longer reflection is significant, requiring a non-WKB treatment. We also show that non-WKB, linear Alfven waves are always less effective in accelerating the plasma than WKB Alfven waves. Finally, it is evident from our results that the region of strongest wave reflection is usually located at the base of the models, and hence that interpretation of wave reflection based solely on the reflection coefficient can be misleading.

Numerical Study of Interaction of a Vortical Density Inhomogeneity with Shock and Expansion Waves

NASA Technical Reports Server (NTRS)

Povitsky, A.; Ofengeim, D.

1998-01-01

We studied the interaction of a vortical density inhomogeneity (VDI) with shock and expansion waves. We call the VDI the region of concentrated vorticity (vortex) with a density different from that of ambiance. Non-parallel directions of the density gradient normal to the VDI surface and the pressure gradient across a shock wave results in an additional vorticity. The roll-up of the initial round VDI towards a non-symmetrical shape is studied numerically. Numerical modeling of this interaction is performed by a 2-D Euler code. The use of an adaptive unstructured numerical grid makes it possible to obtain high accuracy and capture regions of induced vorticity with a moderate overall number of mesh points. For the validation of the code, the computational results are compared with available experimental results and good agreement is obtained. The interaction of the VDI with a propagating shock wave is studied for a range of initial and induced circulations and obtained flow patterns are presented. The splitting of the VDI develops into the formation of a non-symmetrical vortex pair and not in a set of vortices. A method for the analytical computation of an overall induced circulation Gamma(sub 1) as a result of the interaction of a moving VDI with a number of waves is proposed. Simplified, approximated, expressions for Gamma(sub 1) are derived and their accuracy is discussed. The splitting of the VDI passing through the Prandtl-Meyer expansion wave is studied numerically. The obtained VDI patterns are compared to those for the interaction of the VDI with a propagating shock wave for the same values of initial and induced circulations. These patterns have similar shapes for corresponding time moments.

Experimental study of a fine structure of 2D wakes and mixing past an obstacle in a continuously stratified fluid

NASA Astrophysics Data System (ADS)

Chashechkin, Yuli. D.; Mitkin, Vladimir V.

2001-10-01

Experimental investigations of fine and macroscopic structures of density and velocity disturbances generated by a towing cylinder or a vertical strip in a linearly stratified liquid are carried out in a rectangular tank. A density gradient field is visualised by different Schlieren methods (direct shadow, 'slit-knife', 'slit-thread', 'natural rainbow') characterised by a high spatial resolution. Profiles of fluid velocity are visualised by density markers — wakes past a vertically descending sugar crystal or an ascending gas bubble. In a fluid at rest, the density marker acts as a vertical linear source of internal oscillations which allows us to measure buoyancy frequency over all depth by the Schlieren instrument directly or by a conductivity probe in a particular point. Sensitive methods reveal a set of high gradient interfaces inside and outside the downstream wake besides well-known large scale elements: upstream disturbances, attached internal waves and vortices. Solitary interfaces located inside the attached internal waves field have no features on their leading and trailing edges. A thickness of interfaces is defined by an appropriate diffusion coefficient and a buoyancy frequency. High gradient interfaces bound compact vortices. Vortices moving with respect to environment emit their own systems of internal waves randomising a regular pattern of attached antisymmetric internal waves. But after a rather long time a wave recurrence occurs and a regular but symmetric structure of the longest waves (similar to the pattern of initial attached internal waves) is observed again. High gradient interfaces and lines of their intersections act as collectors of a dye coming from a compact source or from a coloured liquid volume inside the tank and separate coloured and clear areas.

Comparison of autogenous cancellous bone grafting and extracorporeal shock wave therapy on osteotomy healing in the tibial tuberosity advancement procedure in dogs. Radiographic densitometric evaluation.

PubMed

Barnes, K; Lanz, O; Werre, S; Clapp, K; Gilley, R

2015-01-01

To compare optical values in the osteotomy gap created after a tibial tuberosity advancement (TTA) treated with autogenous cancellous bone graft, extracorporeal shock wave therapy, a combination of autogenous cancellous bone graft and extracorporeal shock wave therapy, and absence of both autogenous cancellous bone graft and extracorporeal shock wave therapy using densitometry. Dogs that were presented for surgical repair of a cranial cruciate ligament rupture were randomly assigned to one of four groups: TTA with autogenous cancellous bone graft (TTA-G), TTA with autogenous cancellous bone graft and extracorporeal shock wave therapy (TTA-GS), TTA with extracorporeal shock wave therapy (TTA-S), and TTA with no additional therapy (TTA-O). Mediolateral radiographs at zero, four and eight weeks after surgery were evaluated to compare healing of the osteotomy gap via densitometry. An analysis of variance was used to compare the densitometric values between groups. At four weeks after surgery, a significant difference in osteotomy gap density was noted between TTA-GS (8.4 millimetres of aluminium equivalent [mmAleq]) and TTA-S (6.1 mmAleq), and between TTA-GS (8.4 mmAleq) and TTA-O (6.4 mmAleq). There were no significant differences noted between any groups at the eight week re-evaluation. There were no significant differences in the osteotomy gap density at eight weeks after surgery regardless of the treatment modality used. The combination of autogenous cancellous bone graft and extracorporeal shock wave therapy may lead to increased radiographic density of the osteotomy gap in the first four weeks after surgery. Densitometry using an aluminium step wedge is a feasible method for comparison of bone density after TTA in dogs.

Basis convergence of range-separated density-functional theory

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

Franck, Odile, E-mail: odile.franck@etu.upmc.fr; Mussard, Bastien, E-mail: bastien.mussard@upmc.fr; CNRS, UMR 7616, Laboratoire de Chimie Théorique, F-75005 Paris

2015-02-21

Range-separated density-functional theory (DFT) is an alternative approach to Kohn-Sham density-functional theory. The strategy of range-separated density-functional theory consists in separating the Coulomb electron-electron interaction into long-range and short-range components and treating the long-range part by an explicit many-body wave-function method and the short-range part by a density-functional approximation. Among the advantages of using many-body methods for the long-range part of the electron-electron interaction is that they are much less sensitive to the one-electron atomic basis compared to the case of the standard Coulomb interaction. Here, we provide a detailed study of the basis convergence of range-separated density-functional theory. Wemore » study the convergence of the partial-wave expansion of the long-range wave function near the electron-electron coalescence. We show that the rate of convergence is exponential with respect to the maximal angular momentum L for the long-range wave function, whereas it is polynomial for the case of the Coulomb interaction. We also study the convergence of the long-range second-order Møller-Plesset correlation energy of four systems (He, Ne, N{sub 2}, and H{sub 2}O) with cardinal number X of the Dunning basis sets cc − p(C)V XZ and find that the error in the correlation energy is best fitted by an exponential in X. This leads us to propose a three-point complete-basis-set extrapolation scheme for range-separated density-functional theory based on an exponential formula.« less

Experimental observation of left polarized wave absorption near electron cyclotron resonance frequency in helicon antenna produced plasma

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

Barada, Kshitish K.; Chattopadhyay, P. K.; Ghosh, J.

2013-01-15

Asymmetry in density peaks on either side of an m = +1 half helical antenna is observed both in terms of peak position and its magnitude with respect to magnetic field variation in a linear helicon plasma device [Barada et al., Rev. Sci. Instrum. 83, 063501 (2012)]. The plasma is produced by powering the m = +1 half helical antenna with a 2.5 kW, 13.56 MHz radio frequency source. During low magnetic field (B < 100 G) operation, plasma density peaks are observed at critical magnetic fields on either side of the antenna. However, the density peaks occurred at differentmore » critical magnetic fields on both sides of antenna. Depending upon the direction of the magnetic field, in the m = +1 propagation side, the main density peak has been observed around 30 G of magnetic field. On this side, the density peak around 5 G corresponding to electron cyclotron resonance (ECR) is not very pronounced, whereas in the m = -1 propagation side, very pronounced ECR peak has been observed around 5 G. Another prominent density peak around 12 G has also been observed in m = -1 side. However, no peak has been observed around 30 G on this m = -1 side. This asymmetry in the results on both sides is explained on the basis of polarization reversal of left hand polarized waves to right hand polarized waves and vice versa in a bounded plasma system. The density peaking phenomena are likely to be caused by obliquely propagating helicon waves at the resonance cone boundary.« less