Accurate determination of the fine-structure intervals in the 3P ground states of C-13 and C-12 by far-infrared laser magnetic resonance

NASA Technical Reports Server (NTRS)

Cooksy, A. L.; Saykally, R. J.; Brown, J. M.; Evenson, K. M.

1986-01-01

Accurate values are presented for the fine-structure intervals in the 3P ground state of neutral atomic C-12 and C-13 as obtained from laser magnetic resonance spectroscopy. The rigorous analysis of C-13 hyperfine structure, the measurement of resonant fields for C-12 transitions at several additional far-infrared laser frequencies, and the increased precision of the C-12 measurements, permit significant improvement in the evaluation of these energies relative to earlier work. These results will expedite the direct and precise measurement of these transitions in interstellar sources and should assist in the determination of the interstellar C-12/C-13 abundance ratio.

Effective collision strengths for forbidden transitions among the 3s23p3 fine-structure levels of CL IIIIII

NASA Astrophysics Data System (ADS)

Ramsbottom, C. A.; Bell, K. L.; Keenan, F. P.

1999-08-01

Effective collision strengths for the 10 astrophysically important fine-structure forbidden transitions among the ^4S^o, ^2D^o and ^2P^o levels in the 3s^23p^3 configuration of Cliii are presented. The calculation employs the multichannel R-matrix method to compute the electron-impact excitation collision strengths in a close-coupling expansion, which incorporates the lowest 23 LS target eigenstates of Cliii. These states are formed from the 3s^23p^3, 3s3p^4, 3s^23p^23d and 3s^23p^24s configurations. The Maxwellian-averaged effective collision strengths are presented graphically for all 10 fine-structure transitions over a wide range of electron temperatures appropriate for astrophysical applications [logT(K)=3.3-logT(K)=5.9]. Comparisons are made with the earlier seven-state close-coupling calculation of Butler & Zeippen, and in general excellent agreement is found in the low-temperature region where a comparison is possible [logT(K)=3.3-logT(K)=4.7]. However, discrepancies of up to 30 per cent are found to occur for the forbidden transitions which involve the ^4S^o ground state level, particularly for the lowest temperatures considered. At the higher temperatures, the present data are the only reliable results currently available.

Structural transition in lanthanum gallate and transformation of the fine structure of the EPR spectrum of a Gd3+ impurity center

NASA Astrophysics Data System (ADS)

Vazhenin, V. A.; Guseva, V. B.; Fokin, A. V.; Potapov, A. P.; Artyomov, M. Yu.

2011-04-01

Abrupt changes in resonance positions, hysteretic temperature behavior, and coexistence of phases, which indicate a first-order phase transition, have been revealed from measurements of temperature dependences of the EPR spectra of Gd3+ and Mn4+ centers in the vicinity of the structural transition of lanthanum gallate. The transformation of monoclinic Gd3+ centers into trigonal Gd3+ centers upon the phase transition has been used to estimate the adequacy of two approximations of the superposition model for parameters of the zero-field splitting of the ground state.

Mapping of the Resistance of a Superconducting Transition Edge Sensor as a Function of Temperature, Current, and Applied Magnetic Field

NASA Technical Reports Server (NTRS)

Zhang, Shou; Eckart, Megan E.; Jaeckel, Felix; Kripps, Kari L.; McCammon, Dan; Zhou, Yu; Morgan, Kelsey M.

2017-01-01

We have measured the resistance R (T, I, B(sub ext) of a superconducting transition edge sensor over the entire transition region on a fine scale, producing a four-dimensional map of the resistance surface. The dimensionless temperature and current sensitivities (alpha equivalence partial derivative log R/partial derivative log T|(sub I) and beta equivalence partial derivative log R/partial derivative log I|(sub T) of the TES resistance have been determined at each point. alpha and beta are closely related to the sensor performance, but show a great deal of complex, large amplitude fine structure over large portions of the surface that is sensitive to the applied magnetic field. We discuss the relation of this structure to the presence of Josephson weak link fringes.

Origin of the magnetic transition at 100 K in ɛ-Fe2O3 nanoparticles studied by x-ray absorption fine structure spectroscopy

NASA Astrophysics Data System (ADS)

López-Sánchez, J.; Muñoz-Noval, A.; Castellano, C.; Serrano, A.; del Campo, A.; Cabero, M.; Varela, M.; Abuín, M.; de la Figuera, J.; Marco, J. F.; Castro, G. R.; Rodríguez de la Fuente, O.; Carmona, N.

2017-12-01

The current study unveils the structural origin of the magnetic transition of the ɛ-Fe2O3 polymorph from an incommensurate magnetic order to a collinear ferrimagnetic state at low temperature. The high crystallinity of the samples and the absence of other iron oxide polymorphs have allowed us to carry out temperature-dependent x-ray absorption fine structure spectroscopy experiments out. The deformation of the structure is followed by the Debye-Waller factor for each selected Fe-O and Fe-Fe sub-shell. For nanoparticle sizes between 7 and 15 nm, the structural distortions between the Fete and Fe-D1oc sites are localized in a temperature range before the magnetic transition starts. On the contrary, the inherent interaction between the other sub-shells (named Fe-O1,2 and Fe-Fe1) provokes cooperative magneto-structural changes in the same temperature range. This means that the Fete with Fe-D1oc polyhedron interaction seems to be uncoupled with temperature dealing with these nanoparticle sizes wherein the structural distortions are likely moderate due to surface effects.

Fine- and hyperfine-structure effects in molecular photoionization. I. General theory and direct photoionization

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

Germann, Matthias; Willitsch, Stefan, E-mail: stefan.willitsch@unibas.ch

2016-07-28

We develop a model for predicting fine- and hyperfine intensities in the direct photoionization of molecules based on the separability of electron and nuclear spin states from vibrational-electronic states. Using spherical tensor algebra, we derive highly symmetrized forms of the squared photoionization dipole matrix elements from which we derive the salient selection and propensity rules for fine- and hyperfine resolved photoionizing transitions. Our theoretical results are validated by the analysis of the fine-structure resolved photoelectron spectrum of O{sub 2} reported by Palm and Merkt [Phys. Rev. Lett. 81, 1385 (1998)] and are used for predicting hyperfine populations of molecular ionsmore » produced by photoionization.« less

Electronic doping of transition metal oxide perovskites

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

Cammarata, Antonio, E-mail: cammaant@fel.cvut.cz; Rondinelli, James M.

2016-05-23

CaFeO{sub 3} is a prototypical negative charge transfer oxide that undergoes electronic metal-insulator transition concomitant with a dilation and contraction of nearly rigid octahedra. Altering the charge neutrality of the bulk system destroys the electronic transition, while the structure is significantly modified at high charge content. Using density functional theory simulations, we predict an alternative avenue to modulate the structure and the electronic transition in CaFeO{sub 3}. Charge distribution can be modulated using strain-rotation coupling and thin film engineering strategies, proposing themselves as a promising avenue for fine tuning electronic features in transition metal-oxide perovskites.

Frequency metrology using highly charged ions

NASA Astrophysics Data System (ADS)

Crespo López-Urrutia, J. R.

2016-06-01

Due to the scaling laws of relativistic fine structure splitting, many forbidden optical transitions appear within the ground state configurations of highly charged ions (HCI). In some hydrogen-like ions, even the hyperfine splitting of the 1s ground state gives rise to optical transitions. Given the very low polarizability of HCI, such laser-accessible transitions are extremely impervious to external perturbations and systematics that limit optical clock performance and arise from AC and DC Stark effects, such as black-body radiation and light shifts. Moreover, AC and DC Zeeman splitting are symmetric due to the much larger relativistic spin-orbit coupling and corresponding fine-structure splitting. Appropriate choice of states or magnetic sub-states with suitable total angular momentum and magnetic quantum numbers can lead to a cancellation of residual quadrupolar shifts. All these properties are very advantageous for the proposed use of HCI forbidden lines as optical frequency standards. Extremely magnified relativistic, quantum electrodynamic, and nuclear size contributions to the binding energies of the optically active electrons make HCI ideal tools for fundamental research, as in proposed studies of a possible time variation of the fine structure constant. Beyond this, HCI that cannot be photoionized by vacuum-ultraviolet photons could also provide frequency standards for future lasers operating in that range.

Limit on the temporal variation of the fine-structure constant using atomic dysprosium.

PubMed

Cingöz, A; Lapierre, A; Nguyen, A-T; Leefer, N; Budker, D; Lamoreaux, S K; Torgerson, J R

2007-01-26

Over 8 months, we monitored transition frequencies between nearly degenerate, opposite-parity levels in two isotopes of atomic dysprosium (Dy). These frequencies are sensitive to variation of the fine-structure constant (alpha) due to relativistic corrections of opposite sign for the opposite-parity levels. In this unique system, in contrast to atomic-clock comparisons, the difference of the electronic energies of the opposite-parity levels can be monitored directly utilizing a rf electric-dipole transition between them. Our measurements show that the frequency variation of the 3.1-MHz transition in (163)Dy and the 235-MHz transition in (162)Dy are 9.0+/-6.7 Hz/yr and -0.6+/-6.5 Hz/yr, respectively. These results provide a rate of fractional variation of alpha of (-2.7+/-2.6) x 10(-15) yr(-1) (1 sigma) without assumptions on constancy of other fundamental constants, indicating absence of significant variation at the present level of sensitivity.

4f fine-structure levels as the dominant error in the electronic structures of binary lanthanide oxides.

PubMed

Huang, Bolong

2016-04-05

The ground-state 4f fine-structure levels in the intrinsic optical transition gaps between the 2p and 5d orbitals of lanthanide sesquioxides (Ln2 O3 , Ln = La…Lu) were calculated by a two-way crossover search for the U parameters for DFT + U calculations. The original 4f-shell potential perturbation in the linear response method were reformulated within the constraint volume of the given solids. The band structures were also calculated. This method yields nearly constant optical transition gaps between Ln-5d and O-2p orbitals, with magnitudes of 5.3 to 5.5 eV. This result verifies that the error in the band structure calculations for Ln2 O3 is dominated by the inaccuracies in the predicted 4f levels in the 2p-5d transition gaps, which strongly and non-linearly depend on the on-site Hubbard U. The relationship between the 4f occupancies and Hubbard U is non-monotonic and is entirely different from that for materials with 3d or 4d orbitals, such as transition metal oxides. This new linear response DFT + U method can provide a simpler understanding of the electronic structure of Ln2 O3 and enables a quick examination of the electronic structures of lanthanide solids before hybrid functional or GW calculations. © 2015 Wiley Periodicals, Inc.

Excitonic fine-structure splitting in telecom-wavelength InAs/GaAs quantum dots: Statistical distribution and height-dependence

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

Goldmann, Elias, E-mail: goldmann@itp.uni-bremen.de; Barthel, Stefan; Florian, Matthias

The variation of the excitonic fine-structure splitting is studied for semiconductor quantum dots under the influence of a strain-reducing layer, utilized to shift the emission wavelength of the excitonic transition into the telecom-wavelength regime of 1.3–1.5 μm. By means of a sp{sup 3}s{sup *}-tight-binding model and configuration interaction, we calculate wavelength shifts and fine-structure splittings for various quantum dot geometries. We find the splittings remaining small and even decreasing with strain-reducing layer composition for quantum dots with large height. Combined with an observed increased emission efficiency, the applicability for generation of entanglement photons is persistent.

Two Clock Transitions in Neutral Yb for the Highest Sensitivity to Variations of the Fine-Structure Constant.

PubMed

Safronova, Marianna S; Porsev, Sergey G; Sanner, Christian; Ye, Jun

2018-04-27

We propose a new frequency standard based on a 4f^{14}6s6p ^{3}P_{0}-4f^{13}6s^{2}5d (J=2) transition in neutral Yb. This transition has a potential for high stability and accuracy and the advantage of the highest sensitivity among atomic clocks to variation of the fine-structure constant α. We find its dimensionless α-variation enhancement factor to be K=-15, in comparison to the most sensitive current clock (Yb^{+}  E3, K=-6), and it is 18 times larger than in any neutral-atomic clocks (Hg, K=0.8). Combined with the unprecedented stability of an optical lattice clock for neutral atoms, this high sensitivity opens new perspectives for searches for ultralight dark matter and for tests of theories beyond the standard model of elementary particles. Moreover, together with the well-established ^{1}S_{0}-^{3}P_{0} transition, one will have two clock transitions operating in neutral Yb, whose interleaved interrogations may further reduce systematic uncertainties of such clock-comparison experiments.

Two Clock Transitions in Neutral Yb for the Highest Sensitivity to Variations of the Fine-Structure Constant

NASA Astrophysics Data System (ADS)

Safronova, Marianna S.; Porsev, Sergey G.; Sanner, Christian; Ye, Jun

2018-04-01

We propose a new frequency standard based on a 4 f146 s 6 p P0 3 -4 f136 s25 d (J =2 ) transition in neutral Yb. This transition has a potential for high stability and accuracy and the advantage of the highest sensitivity among atomic clocks to variation of the fine-structure constant α . We find its dimensionless α -variation enhancement factor to be K =-15 , in comparison to the most sensitive current clock (Yb+ E 3 , K =-6 ), and it is 18 times larger than in any neutral-atomic clocks (Hg, K =0.8 ). Combined with the unprecedented stability of an optical lattice clock for neutral atoms, this high sensitivity opens new perspectives for searches for ultralight dark matter and for tests of theories beyond the standard model of elementary particles. Moreover, together with the well-established 1S0-3P0 transition, one will have two clock transitions operating in neutral Yb, whose interleaved interrogations may further reduce systematic uncertainties of such clock-comparison experiments.

Limit on the present temporal variation of the fine structure constant.

PubMed

Peik, E; Lipphardt, B; Schnatz, H; Schneider, T; Tamm, Chr; Karshenboim, S G

2004-10-22

The comparison of different atomic transition frequencies over time can be used to determine the present value of the temporal derivative of the fine structure constant alpha in a model-independent way without assumptions on constancy or variability of other parameters, allowing tests of the consequences of unification theories. We have measured an optical transition frequency at 688 THz in 171Yb+ with a cesium atomic clock at 2 times separated by 2.8 yr and find a value for the fractional variation of the frequency ratio f(Yb)/f(Cs) of (-1.2+/-4.4)x10(-15) yr(-1), consistent with zero. Combined with recently published values for the constancy of other transition frequencies this measurement sets an upper limit on the present variability of alpha at the level of 2.0x10(-15) yr(-1) (1sigma), corresponding so far to the most stringent limit from laboratory experiments.

Vibrational and rotational energy transfers involving the CH B 2Σ- v=1 vibrational level in collisions with Ar, CO, and N2O

NASA Astrophysics Data System (ADS)

Huang, Hong-Yi; Tsai, Ming-Tsang; Lin, King-Chuen

2006-04-01

With photolysis-probe technique, we have studied vibrational and rotational energy transfers of CH involving the B Σ-2 (v =1, 0⩽N⩽6, F) state by collisions with Ar, CO, and N2O. For the vibrational energy transfer (VET) measurements, the time-resolved fluorescence of the B-X(0,0) band is monitored following the (1,0) band excitation. For the rotational energy transfer (RET) measurements, the laser-induced fluorescence of the initially populated state is dispersed using a step-scan Fourier transform spectrometer. The time-resolved spectra obtained in the nanosecond regime may yield the RET information under a single pressure of the collider. The rate constants of intramolecular energy transfers are evaluated with simulation of kinetic models. The VET lies in the range of 4×10-12to4×10-11cm3molecule-1s-1, with efficiency following the order of Ar

High-resolution observations of active region moss and its dynamics

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

Morton, R. J.; McLaughlin, J. A., E-mail: richard.morton@northumbria.ac.uk

2014-07-10

The High Resolution Coronal Imager has provided the sharpest view of the EUV corona to date. In this paper, we exploit its impressive resolving power to provide the first analysis of the fine-scale structure of moss in an active region. The data reveal that the moss is made up of a collection of fine threads that have widths with a mean and standard deviation of 440 ± 190 km (FWHM). The brightest moss emission is located at the visible head of the fine-scale structure and the fine structure appears to extend into the lower solar atmosphere. The emission decreases alongmore » the features, implying that the lower sections are most likely dominated by cooler transition region plasma. These threads appear to be the cool, lower legs of the hot loops. In addition, the increased resolution allows for the first direct observation of physical displacements of the moss fine structure in a direction transverse to its central axis. Some of these transverse displacements demonstrate periodic behavior, which we interpret as a signature of kink (Alfvénic) waves. Measurements of the properties of the transverse motions are made and the wave motions have means and standard deviations of 55 ± 37 km for the transverse displacement amplitude, 77 ± 33 s for the period, and 4.7 ± 2.5 km s{sup –1} for the velocity amplitude. The presence of waves in the transition region of hot loops could have important implications for the heating of active regions.« less

Precision microwave measurement of the 2(3)P(1)-2(3)P(0) interval in atomic helium: a determination of the fine-structure constant.

PubMed

George, M C; Lombardi, L D; Hessels, E A

2001-10-22

The 2(3)P(1)-to- 2(3)P(0) interval in atomic helium is measured using a thermal beam of metastable helium atoms excited to the 2(3)P state using a 1.08-microm diode laser. The 2(3)P(1)-to- 2(3)P(0) transition is driven by 29.6-GHz microwaves in a rectangular waveguide cavity. Our result of 29,616,950.9+/-0.9 kHz is the most precise measurement of helium 2(3)P fine structure. When compared to precise theory for this interval, this measurement leads to a determination of the fine-structure constant of 1/137.0359864(31).

Neural network approach for characterizing structural transformations by X-ray absorption fine structure

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

Timoshenko, Janis; Frenkel, Anatoly I.; Cintins, Arturs

The knowledge of coordination environment around various atomic species in many functional materials provides a key for explaining their properties and working mechanisms. Many structural motifs and their transformations are difficult to detect and quantify in the process of work (operando conditions), due to their local nature, small changes, low dimensionality of the material, and/or extreme conditions. Here we use artificial neural network approach to extract the information on the local structure and its in-situ changes directly from the X-ray absorption fine structure spectra. We illustrate this capability by extracting the radial distribution function (RDF) of atoms in ferritic andmore » austenitic phases of bulk iron across the temperature-induced transition. Integration of RDFs allows us to quantify the changes in the iron coordination and material density, and to observe the transition from body-centered to face-centered cubic arrangement of iron atoms. Furthermore, this method is attractive for a broad range of materials and experimental conditions« less

Neural network approach for characterizing structural transformations by X-ray absorption fine structure

DOE PAGES

Timoshenko, Janis; Frenkel, Anatoly I.; Cintins, Arturs; ...

2018-05-25

The knowledge of coordination environment around various atomic species in many functional materials provides a key for explaining their properties and working mechanisms. Many structural motifs and their transformations are difficult to detect and quantify in the process of work (operando conditions), due to their local nature, small changes, low dimensionality of the material, and/or extreme conditions. Here we use artificial neural network approach to extract the information on the local structure and its in-situ changes directly from the X-ray absorption fine structure spectra. We illustrate this capability by extracting the radial distribution function (RDF) of atoms in ferritic andmore » austenitic phases of bulk iron across the temperature-induced transition. Integration of RDFs allows us to quantify the changes in the iron coordination and material density, and to observe the transition from body-centered to face-centered cubic arrangement of iron atoms. Furthermore, this method is attractive for a broad range of materials and experimental conditions« less

Neural Network Approach for Characterizing Structural Transformations by X-Ray Absorption Fine Structure Spectroscopy

NASA Astrophysics Data System (ADS)

Timoshenko, Janis; Anspoks, Andris; Cintins, Arturs; Kuzmin, Alexei; Purans, Juris; Frenkel, Anatoly I.

2018-06-01

The knowledge of the coordination environment around various atomic species in many functional materials provides a key for explaining their properties and working mechanisms. Many structural motifs and their transformations are difficult to detect and quantify in the process of work (operando conditions), due to their local nature, small changes, low dimensionality of the material, and/or extreme conditions. Here we use an artificial neural network approach to extract the information on the local structure and its in situ changes directly from the x-ray absorption fine structure spectra. We illustrate this capability by extracting the radial distribution function (RDF) of atoms in ferritic and austenitic phases of bulk iron across the temperature-induced transition. Integration of RDFs allows us to quantify the changes in the iron coordination and material density, and to observe the transition from a body-centered to a face-centered cubic arrangement of iron atoms. This method is attractive for a broad range of materials and experimental conditions.

Transition from two-dimensional photonic crystals to dielectric metasurfaces in the optical diffraction with a fine structure

PubMed Central

Rybin, Mikhail V.; Samusev, Kirill B.; Lukashenko, Stanislav Yu.; Kivshar, Yuri S.; Limonov, Mikhail F.

2016-01-01

We study experimentally a fine structure of the optical Laue diffraction from two-dimensional periodic photonic lattices. The periodic photonic lattices with the C4v square symmetry, orthogonal C2v symmetry, and hexagonal C6v symmetry are composed of submicron dielectric elements fabricated by the direct laser writing technique. We observe surprisingly strong optical diffraction from a finite number of elements that provides an excellent tool to determine not only the symmetry but also exact number of particles in the finite-length structure and the sample shape. Using different samples with orthogonal C2v symmetry and varying the lattice spacing, we observe experimentally a transition between the regime of multi-order diffraction, being typical for photonic crystals to the regime where only the zero-order diffraction can be observed, being is a clear fingerprint of dielectric metasurfaces characterized by effective parameters. PMID:27491952

Laser Induced Optical Pumping Measurements of Cross Sections for Fine and Hyperfine Structure Transitions in Sodium Induced by Collisions with Helium Argon Atoms

NASA Technical Reports Server (NTRS)

Dobson, Chris C.; Sung, C. C.

1998-01-01

Optical pumping of the ground states of sodium can radically alter the shape of the laser induced fluorescence excitation spectrum, complicating measurements of temperature, pressure, etc., which are based on these spectra. Modeling of the fluorescence using rate equations for the eight hyperfine states of the sodium D manifolds can be used to quantify the contribution to the ground state pumping of transitions among the hyperfine excited states induced by collisions with buffer gas atoms. This model is used here to determine, from the shape of experimental spectra, cross sections for (Delta)F transitions of the P(sub 3/2) state induced by collisions with helium and argon atoms, for a range of values assumed for the P(sub 1/2), (Delta)F cross sections. The hyperfine cross sections measured using this method, which is thought to be novel, are compared with cross sections for transitions involving polarized magnetic substates, m(sub F), measured previously using polarization sensitive absorption. Also, fine structure transition ((Delta)J) cross sections were measured in the pumped vapor, giving agreement with previous measurements made in the absence of pumping.

Laser-Induced Optical Pumping Measurements of Cross Section for Fine- and Hyperfine-Structure Transitions in Sodium Induced by Collisions with Helium and Argon Atoms

NASA Technical Reports Server (NTRS)

Dobson, Chris C.; Sung, C. C.

1999-01-01

Optical pumping of the ground states of sodium can radically alter the shape of the laser-induced fluorescence excitation spectrum, complicating measurements of temperature, pressure, etc., which are based on these spectra. Modeling of the fluorescence using rate equations for the eight hyperfine states of the sodium D manifolds can be used to quantify the contribution to the ground state pumping of transitions among the hyperfine excited states induced by collisions with buffer gas atoms. This model is used here to determine, from the shape of experimental spectra, cross sections lor DELTA.F transitions of the P(sub 3/2) state induced by collisions with helium and argon atoms, for a range of values assumed for the P(sub 1/2), DELTA.F cross sections. The hyperfine cross sections measured using this method, which to our knowledge is novel, are compared with cross sections for transitions involving polarized magnetic substates m(sub F) measured previously using polarization sensitive absorption. Also, fine-structure transition cross sections were measured in the pumped vapor, giving agreement with previous measurements made in the absence of pumping.

Correspondence between solar fine-scale structures in the corona, transition region, and lower atmosphere from collaborative observations

NASA Technical Reports Server (NTRS)

Moses, J. Daniel; Cook, J. W.; Bartoe, J.-D. F.; Brueckner, G. E.; Dere, K. P.; Webb, D. F.; Davis, John M.; Recely, F.; Martin, S. F.; Zirin, H.

1989-01-01

The Soft X-Ray Imaging Payload and the High Resolution Telescope and Spectrograph (HRTS) instrument were launched from White Sands on 11 December 1987 in coordinated sounding rocket flights to investigate the correspondence of coronal and transition region structures, especially the relationship between X-ray bright points (XBPs) and transition region small spatial scale energetic events. The coaligned data from X-ray images are presented along with maps of sites of transition region energetic events observed in C IV (100,000 K), HRTS 1600 A spectroheliograms of the T sub min region and ground based magnetogram and He I 10830 A images.

Coupled channels description of the α-decay fine structure

NASA Astrophysics Data System (ADS)

Delion, D. S.; Ren, Zhongzhou; Dumitrescu, A.; Ni, Dongdong

2018-05-01

We review the coupled channels approach of α transitions to excited states. The α-decaying states are identified as narrow outgoing Gamow resonances in an α-daughter potential. The real part of the eigenvalue corresponds to the Q-value, while the imaginary part determines the half of the total α-decay width. We first review the calculations describing transitions to rotational states treated by the rigid rotator model, in even–even, odd-mass and odd–odd nuclei. It is found that the semiclassical method overestimates the branching ratios to excited 4+ for some even–even α-emitters and fails in explaining the unexpected inversion of branching ratios of some odd-mass nuclei, while the coupled-channels results show good agreement with the experimental data. Then, we review the coupled channels method for α-transitions to 2+ vibrational and transitional states. We present the results of the Coherent State Model that describes in a unified way the spectra of vibrational, transitional and rotational nuclei. We evidence general features of the α-decay fine structure, namely the linear dependence between α-intensities and excitation energy, the linear correlation between the strength of the α-core interaction and spectroscopic factor, and the inverse correlation between the nuclear collectivity, given by electromagnetic transitions, and α-clustering.

Theoretical Study of Energy Levels and Transition Probabilities of Boron Atom

NASA Astrophysics Data System (ADS)

Tian Yi, Zhang; Neng Wu, Zheng

2009-08-01

Full Text PDF Though the electrons configuration for boron atom is simple and boron atom has long been of interest for many researchers, the theoretical studies for properties of BI are not systematic, there are only few results reported on energy levels of high excited states of boron, and transition measurements are generally restricted to transitions involving ground states and low excited states without considering fine structure effects, provided only multiplet results, values for transitions between high excited states are seldom performed. In this article, by using the scheme of the weakest bound electron potential model theory calculations for energy levels of five series are performed and with the same method we give the transition probabilities between excited states with considering fine structure effects. The comprehensive set of calculations attempted in this paper could be of some value to workers in the field because of the lack of published calculations for the BI systems. The perturbations coming from foreign perturbers are taken into account in studying the energy levels. Good agreement between our results and the accepted values taken from NIST has been obtained. We also reported some values of energy levels and transition probabilities not existing on the NIST data bases.

Fine-structure resolved rotational transitions and database for CN+H2 collisions

NASA Astrophysics Data System (ADS)

Burton, Hannah; Mysliwiec, Ryan; Forrey, Robert C.; Yang, B. H.; Stancil, P. C.; Balakrishnan, N.

2018-06-01

Cross sections and rate coefficients for CN+H2 collisions are calculated using the coupled states (CS) approximation. The calculations are benchmarked against more accurate close-coupling (CC) calculations for transitions between low-lying rotational states. Comparisons are made between the two formulations for collision energies greater than 10 cm-1. The CS approximation is used to construct a database which includes highly excited rotational states that are beyond the practical limitations of the CC method. The database includes fine-structure resolved rotational quenching transitions for v = 0 and j ≤ 40, where v and j are the vibrational and rotational quantum numbers of the initial state of the CN molecule. Rate coefficients are computed for both para-H2 and ortho-H2 colliders. The results are shown to be in good agreement with previous calculations, however, the rates are substantially different from mass-scaled CN+He rates that are often used in astrophysical models.

21-cm radiation: a new probe of variation in the fine-structure constant.

PubMed

Khatri, Rishi; Wandelt, Benjamin D

2007-03-16

We investigate the effect of variation in the value of the fine-structure constant (alpha) at high redshifts (recombination > z > 30) on the absorption of the cosmic microwave background (CMB) at 21 cm hyperfine transition of the neutral atomic hydrogen. We find that the 21 cm signal is very sensitive to the variations in alpha and it is so far the only probe of the fine-structure constant in this redshift range. A change in the value of alpha by 1% changes the mean brightness temperature decrement of the CMB due to 21 cm absorption by >5% over the redshift range z < 50. There is an effect of similar magnitude on the amplitude of the fluctuations in the brightness temperature. The redshift of maximum absorption also changes by approximately 5%.

Atomic clouds as spectrally selective and tunable delay lines for single photons from quantum dots

NASA Astrophysics Data System (ADS)

Wildmann, Johannes S.; Trotta, Rinaldo; Martín-Sánchez, Javier; Zallo, Eugenio; O'Steen, Mark; Schmidt, Oliver G.; Rastelli, Armando

2015-12-01

We demonstrate a compact, spectrally selective, and tunable delay line for single photons emitted by quantum dots. This is achieved by fine-tuning the wavelength of the optical transitions of such "artificial atoms" into a spectral window in which a cloud of natural atoms behaves as a slow-light medium. By employing the ground-state fine-structure-split exciton confined in an InGaAs/GaAs quantum dot as a source of single photons at different frequencies and the hyperfine-structure-split D1 transition of Cs-vapors as a tunable delay medium, we achieve a differential delay of up 2.4 ns on a 7.5-cm-long path for photons that are only 60 μ eV (14.5 GHz) apart. To quantitatively explain the experimental data, we develop a theoretical model that accounts for both the inhomogeneous broadening of the quantum-dot emission lines and the Doppler broadening of the atomic lines. The concept we proposed here may be used to implement time-reordering operations aimed at erasing the "which-path" information that deteriorates entangled-photon emission from excitons with finite fine-structure splitting.

Precision Laser Spectroscopic Measurement of Helium -4(1S2S S(3) to 1S2P P(3)) Lamb Shift and Fine Structure

NASA Astrophysics Data System (ADS)

Dixson, Ronald Gene

This thesis is a presentation of the results of a precise measurement of the absolute wavelength and fine structure splitting of the 1s2s ^3S to 1s2p ^3P transition of the ^4He atom. The experiment described in this thesis is the first one in which laser spectroscopy has been done on the 2 ^3S to 2^3 P transition in a metastable atomic beam. The energy interval between the 2^3S and the 2^3P state is precisely determined by comparison of the absolute wavelength of the transition with our standard laser (an iodine stabilized He-Ne laser with an accuracy of 1.6 parts in 10^{10 }) in a Fabry-Perot interferometer. The experimental Lamb shift of the transition is determined by subtracting from the measured frequency the precisely known non-quantum electrodynamic contributions to the theoretical value of the interval. From our measurements of the absolute wavelength, the following weighted (2J + 1) average for the 2^3S to 2^3P transition frequency and experimental Lamb Shift are obtained:eqalign{& rm f_{2S{-}2P} = 276 736 495.59 (5) rm MHz.cr& {bf L}[ 2^3Sto2 ^3P] = 5311.26 (5) rm MHz.cr} Our value for the Lamb Shift is in agreement with the best previous measurement but a factor of 60 more precise. It is also two orders of magnitude more precise than the present theoretical calculation, presenting quite a challenge to theorists. Nevertheless, this work is very timely since it is anticipated (DRA94) (MOR94) that the theory will reach this level in the near future. The measured fine structure splittings of the 2^3P level are: eqalign{rm 2^3P_0to rm2^3P_2 &: 31908.135 (3) rm MHzcrrm 2^3P_1to rm2^3P_2 &: sk{5}2291.173 (3) rm MHz}These results are more precise than previous microwave measurements and in significant disagreement with them, a situation which is especially timely and interesting since new theoretical calculations of these fine structure intervals (DRA94) at this level of precision are nearing completion.

Nanoscale probing of electron-regulated structural transitions in silk proteins by near-field IR imaging and nano-spectroscopy

PubMed Central

Qin, Nan; Zhang, Shaoqing; Jiang, Jianjuan; Corder, Stephanie Gilbert; Qian, Zhigang; Zhou, Zhitao; Lee, Woonsoo; Liu, Keyin; Wang, Xiaohan; Li, Xinxin; Shi, Zhifeng; Mao, Ying; Bechtel, Hans A.; Martin, Michael C.; Xia, Xiaoxia; Marelli, Benedetto; Kaplan, David L.; Omenetto, Fiorenzo G.; Liu, Mengkun; Tao, Tiger H.

2016-01-01

Silk protein fibres produced by silkworms and spiders are renowned for their unparalleled mechanical strength and extensibility arising from their high-β-sheet crystal contents as natural materials. Investigation of β-sheet-oriented conformational transitions in silk proteins at the nanoscale remains a challenge using conventional imaging techniques given their limitations in chemical sensitivity or limited spatial resolution. Here, we report on electron-regulated nanoscale polymorphic transitions in silk proteins revealed by near-field infrared imaging and nano-spectroscopy at resolutions approaching the molecular level. The ability to locally probe nanoscale protein structural transitions combined with nanometre-precision electron-beam lithography offers us the capability to finely control the structure of silk proteins in two and three dimensions. Our work paves the way for unlocking essential nanoscopic protein structures and critical conditions for electron-induced conformational transitions, offering new rules to design protein-based nanoarchitectures. PMID:27713412

Amorphous-amorphous transition in a porous coordination polymer.

PubMed

Ohtsu, Hiroyoshi; Bennett, Thomas D; Kojima, Tatsuhiro; Keen, David A; Niwa, Yasuhiro; Kawano, Masaki

2017-07-04

The amorphous state plays a key role in porous coordination polymer and metal-organic framework phase transitions. We investigate a crystalline-to-amorphous-to-amorphous-to-crystalline (CAAC) phase transition in a Zn based coordination polymer, by X-ray absorption fine structure (XAFS) and X-ray pair distribution function (PDF) analysis. We show that the system shows two distinct amorphous phases upon heating. The first involves a reversible transition to a desolvated form of the original network, followed by an irreversible transition to an intermediate phase which has elongated Zn-I bonds.

Separated oscillatory field microwave measurement of the n=2 3P1 to n=2 3P2 fine-structure interval of helium

NASA Astrophysics Data System (ADS)

Borbely, Joseph S.

2009-11-01

The fine-structure constant is a fundamental constant of nature that represents the strength of the coupling interaction between charged particles. Comparison of high-precision theory and high-precision experiment of the n=2 3PJ fine-structure intervals of helium will allow for a determination of the fine-structure constant. The 23P1(mJ=0)-to-23P 2(mJ=0) magnetic-dipole transition in helium is measured to be 2 291 177.53(35) kHz using Ramsey separated oscillatory fields. A thermal beam of 23S1 metastable helium atoms is produced in a DC discharge source and enters a chamber where a vertical DC magnetic field lifts the degeneracy of the mJ states. Initially, the 2 3S1(mJ=-1, 0, 1) states are equally populated. A linearly polarized 1083-nm diode laser drives the 23S 1(mJ=0) atoms up to the 23P0(m J=0) state, emptying the 23S1(mJ=0) state. A 15-ns laser pulse drives the 23S1(m J=+1)-to-23P1(mJ=0) transitions and this laser pulse is followed by two microwave pulses that drive the 2.29-GHz 23P1(mJ=0)-to-23P 2(mJ=0) transition. The atoms which undergo this microwave transition can spontaneously decay to the previously-emptied 23S 1(mJ=0) state. The 23P1(m J=0) state is forbidden to decay to the 23S1(m J=0) state since the transition has a zero electric-dipole matrix element. Therefore, any re-population of the 23S1(m J=0) state is a direct indication that the 2.29-GHz microwave transition has been driven. A linearly polarized 1083-nm diode laser detects the 2 3S1(mJ=0) atoms by exciting them up to the 2 3P0(mJ=0) state and the radiation from the resulting spontaneous decay is observed by focusing it onto a liquid-nitrogen-cooled InGaAs photodiode. The two microwave pulses are alternatively in phase or 180°out of phase and the difference of these signals versus microwave frequency leads to a Ramsey separated oscillatory field interference pattern.

New Tests for Variations of the Fine Structure Constant

NASA Technical Reports Server (NTRS)

Prestage, John D.

1995-01-01

We describe a new test for possible variations of the fine structure constant, by comparisons of rates between clocks based on hyperfine transitions in alkali atomos with different atomic number Z. H- maser, Cs and Hg+ clocks have a different dependence on ia relativistic contributions of order (Z. Recent H-maser vs Hg+ clock comparison data improves laboratory limits on a time variation by 100-fold to giveFuture laser cooled clocks (Be+, Rb, Cs, Hg+, etc.), when compared, will yield the most senstive of all tests for.

R-matrix calculations for electron-impact excitation of C(+), N(2+), and O(3+) including fine structure

NASA Technical Reports Server (NTRS)

Luo, D.; Pradhan, A. K.

1990-01-01

The new R-matrix package for comprehensive close-coupling calculations for electron scattering with the first three ions in the boron isoelectronic sequence, the astrophysically significant C(+), N(2+), and O(3+), is presented. The collision strengths are calculated in the LS coupling approximation, as well as in pair-coupling scheme, for the transitions among the fine-structure sublevels. Calculations are carried out at a large number of energies in order to study the detailed effects of autoionizing resonances.

Astronomical constraints on the cosmic evolution of the fine structure constant and possible quantum dimensions.

PubMed

Carilli, C L; Menten, K M; Stocke, J T; Perlman, E; Vermeulen, R; Briggs, F; de Bruyn , A G; Conway, J; Moore, C P

2000-12-25

We present measurements of absorption by the 21 cm hyperfine transition of neutral hydrogen toward radio sources at substantial look-back times. These data are used in combination with observations of rotational transitions of common interstellar molecules to set limits on the evolution of the fine structure constant: alpha/ alpha<3.5x10(-15) yr(-1), to a look-back time of 4.8 Gyr. In the context of string theory, the limit on the secular evolution of the scale factor of the compact dimensions, R, is &Rdot/ R<10(-15) yr(-1). Including terrestrial and other astronomical measurements places 2sigma limits on slow oscillations of R from the present to the epoch of cosmic nucleosynthesis, just seconds after the big bang, of DeltaR /R<10(-5).

Rate-coefficients and polarization results for the electron-impact excitation of Ar+ ion

NASA Astrophysics Data System (ADS)

Srivastava, Rajesh; Dipti, Dipti

2016-05-01

A fully relativistic distorted wave theory has been employed to study the electron impact excitation in Ar+ ion. Results have been obtained for the excitation cross-sections and rate-coefficients for the transitions from the ground state 3p5 (J = 3/2) to fine-structure levels of excited states 3p4 4 s, 3p4 4 p , 3p4 5 s, 3p4 5 p, 3p4 3 d and 3p4 4 d. Polarization of the radiation following the excitation has been calculated using the obtained magnetic sub-level cross-sections. Comparison of the present rate-coefficients is also done with the previously reported theoretical results for some unresolved fine structure transitions. Work is supported by DAE-BRNS Mumbai and CSIR, New Delhi.

Microwave spectroscopy of the 1 s n p P3J fine structure of high Rydberg states in 4He

NASA Astrophysics Data System (ADS)

Deller, A.; Hogan, S. D.

2018-01-01

The 1 s n p P3J fine structure of high Rydberg states in helium has been measured by microwave spectroscopy of single-photon transitions from 1 s n s S31 levels in pulsed supersonic beams. For states with principal quantum numbers in the range from n =34 to 36, the J =0 →2 and J =1 →2 fine structure intervals were both observed. For values of n between 45 and 51 only the larger J =0 →2 interval was resolved. The experimental results are in good agreement with theoretical predictions. Detailed characterization of residual uncanceled electric and magnetic fields in the experimental apparatus and calculations of the Stark and Zeeman structures of the Rydberg states in weak fields were used to quantify systematic contributions to the uncertainties in the measurements.

Anticorrelation between polar lattice instability and superconductivity in the Weyl semimetal candidate MoTe2

NASA Astrophysics Data System (ADS)

Takahashi, H.; Akiba, T.; Imura, K.; Shiino, T.; Deguchi, K.; Sato, N. K.; Sakai, H.; Bahramy, M. S.; Ishiwata, S.

2017-03-01

The relation between the polar structural instability and superconductivity in a Weyl semimetal candidate MoTe2 has been clarified by finely controlled physical and chemical pressure. The physical pressure as well as the chemical pressure, i.e., the Se substitution for Te, enhances the superconducting transition temperature Tc at around the critical pressure where the polar structure transition disappears. From the heat capacity and thermopower measurements, we ascribe the significant enhancement of Tc at the critical pressure to a subtle modification of the phonon dispersion or the semimetallic band structure upon the polar-to-nonpolar transition. On the other hand, the physical pressure, which strongly reduces the interlayer distance, is more effective on the suppression of the polar structural transition and the enhancement of Tc as compared with the chemical pressure, which emphasizes the importance of the interlayer coupling on the structural and superconducting instability in MoTe2.

log gf values for astrophysically important transitions Fe II

NASA Astrophysics Data System (ADS)

Deb, N. C.; Hibbert, A.

2014-01-01

Aims: In a recent measurement, Meléndez & Barbuy (2009, A&A, 497, 611) report accurate log gf values for 142 important astrophysical lines with wavelengths in the range 4000 Å to 8000 Å. Their results include both solar and laboratory measurements. In this paper, we describe a theoretical study of these lines. Methods: The CIV3 structure codes, combined with our "fine-tuning" extrapolation process, are used to undertake a large-scale CI calculation involving the lowest 262 fine-structure levels belonging to the 3d64s, 3d7, 3d54s2, 3d64p, and 3d54s4p configurations. Results: We find that many of the 142 transitions are very weak intercombination lines. Other transitions are weak because the dominant configurations in the two levels differ by two orbitals. Conclusions: The comparison between our log gf values and the experimental values generally shows good agreement for most of these transitions, with our theoretical values agreeing slightly more closely with the solar than with the laboratory measurements. A detailed analysis of the small number of transitions for which the agreement between theory and experiment is not as good shows that such disagreements largely arise from severe cancellation due to CI mixing.

Extended x-ray absorption fine structure study of phase transitions in the piezoelectric perovskite K0.5Na0.5NbO3

NASA Astrophysics Data System (ADS)

Kodre, A.; Tellier, J.; Arčon, I.; Malič, B.; Kosec, M.

2009-06-01

Following an x-ray diffraction study of phase transitions of the piezoelectric perovskite K0.5Na0.5NbO3 the structural changes of the material are studied using extended x-ray absorption fine structure analysis, whereby the neighborhood of Nb atom is determined in the temperature range of monoclinic, tetragonal, and cubic phases. Within the entire range Nb atom is displaced from the center of the octahedron of its immediate oxygen neighbors, as witnessed by the splitting of Nb-O distance. The model shows high prevalence of the displacement in the (111) crystallographic direction of the simple perovskite cell. The corresponding splitting of the Nb-Nb distance is negligible. There is no observable disalignment of the linear Nb-O-Nb bonds from the ideal cubic arrangement, judging from the intensity of the focusing of the photoelectron wave on the Nb-Nb scattering path by the interposed oxygen atom. As a general result, the phase transitions are found as an effect of the long-range order, while the placement of the atoms in the immediate vicinity remains largely unaffected.

Laser Spectroscopy of the Fine-Structure Splitting in the 2^{3}P_{J} Levels of ^{4}He.

PubMed

Zheng, X; Sun, Y R; Chen, J-J; Jiang, W; Pachucki, K; Hu, S-M

2017-02-10

The fine-structure splitting in the 2^{3}P_{J} (J=0, 1, 2) levels of ^{4}He is of great interest for tests of quantum electrodynamics and for the determination of the fine-structure constant α. The 2^{3}P_{0}-2^{3}P_{2} and 2^{3}P_{1}-2^{3}P_{2} intervals are measured by laser spectroscopy of the ^{3}P_{J}-2^{3}S_{1} transitions at 1083 nm in an atomic beam, and are determined to be 31 908 130.98±0.13  kHz and 2 291 177.56±0.19  kHz, respectively. Compared with calculations, which include terms up to α^{5}Ry, the deviation for the α-sensitive interval 2^{3}P_{0}-2^{3}P_{2} is only 0.22 kHz. It opens the window for further improvement of theoretical predictions and an independent determination of the fine-structure constant α with a precision of 2×10^{-9}.

[Ultraviolet spectroscopic study on the fine structures in the solar polar hole].

PubMed

Zhang, Min; Wang, Dong; Liu, Guo-Hong

2014-07-01

Fine structures in the south solar polar coronal hole were observed by N IV line of SOHO/SUMER spectrograph. The scales of the fine structures range spatially range from 1 arcsec to several arcsecs, temporally from 1 min to several minutes, and parts of them are in strip shape along the slit direction. The line-of-sight velocity of them is up to tens of km x s(-1) with red and blue shift intercrossed occasionally, which appear periodically as long as 100 minutes in some regions. Part of the fine structures can be clearly observed at the Ne V III line with higher formation temperature in the same spectral window. The time and location of some fine structures with high velocity in the Ne V III spectrum are almost the same as that in N IV spectrum, but they are extended and diffused in the Ne V III spectrum. Some fine structures have non-Gaussian profiles with the line-of-sight Doppler velocities up to 150 km x s(-1) in the N IV blue/red wings, which is similar with the explosive events in the transition region. In the past, explosive events are small-scale dynamic phenomena often observed in the quiet-sun (QS) region, while their properties in coronal holes (CHs) remain unclear. Here, we find the EE-like events with strong dynamics in the south solar polar coronal hole by N IV line of SOHO/SUMER spectrograph.

Fine structure of the giant M1 resonance in 90Zr.

PubMed

Rusev, G; Tsoneva, N; Dönau, F; Frauendorf, S; Schwengner, R; Tonchev, A P; Adekola, A S; Hammond, S L; Kelley, J H; Kwan, E; Lenske, H; Tornow, W; Wagner, A

2013-01-11

The M1 excitations in the nuclide 90Zr have been studied in a photon-scattering experiment with monoenergetic and linearly polarized beams from 7 to 11 MeV. More than 40 J(π)=1+ states have been identified from observed ground-state transitions, revealing the fine structure of the giant M1 resonance with a centroid energy of 9 MeV and a sum strength of 4.17(56) μ(N)(2). The result for the total M1 strength and its fragmentation are discussed in the framework of the three-phonon quasiparticle-phonon model.

Rotational cross sections and rate coefficients of aluminium monoxide AlO(X2Σ+) induced by its collision with He(1 S) at low temperature

NASA Astrophysics Data System (ADS)

Tchakoua, Théophile; Nkot Nkot, Pierre René; Fifen, Jean Jules; Nsangou, Mama; Motapon, Ousmanou

2018-06-01

We present the first potential energy surface (PES) for the AlO(X2Σ+)-He(1 S) van der Waals complex. This PES has been calculated at the RCCSD(T) level of theory. The mixed Gaussian/Exponential Extrapolation Scheme of complete basis set [CBS(D,T,Q)] was employed. The PES was fitted using global analytical method. This fitted PES was used subsequently in the close-coupling approach for the computation of the state-to-state collisional excitation cross sections of the fine-structure levels of the AlO-He complex. Collision energies were taken up to 2500 cm-1 and they yield after thermal averaging, state-to-state rate coefficients up to 300 K. The propensity rules between the lowest fine-structure levels were studied. These rules show, on one hand, a strong propensity in favour of odd ΔN transitions, and on the other hand, that cross sections and collisional rate coefficients for Δj = ΔN transitions are larger than those for Δj ≠ ΔN transitions.

Molecules in high spin states: The millimeter and submillimeter spectrum of the MnS radical (X 6Sigma+)

NASA Astrophysics Data System (ADS)

Thompsen, J. M.; Brewster, M. A.; Ziurys, L. M.

2002-06-01

The pure rotational spectrum of MnS (v=0) in its X 6Sigma+ ground state has been recorded using millimeter and submillimeter direct absorption techniques in the range 160-502 GHz. MnS was synthesized in the gas phase by the reaction of manganese vapor and CS2 in a high-temperature Broida-type oven. Fourteen rotational transitions for this radical were measured, each consisting of six fine-structure components. In the lower rotational lines, hyperfine structure, arising from the 55Mn nuclear spin of 5/2, was also resolved in each spin component. These data were analyzed using a case (b) Hamiltonian, and rotational, fine structure, and hyperfine parameters determined for MnS. In the analysis, the third-order correction to the spin-rotation interaction, gammaS, and the fourth-order spin-spin coupling term, theta, were found necessary for an acceptable fit. The hyperfine constants determined suggest that MnS is more covalent than MnO, but more ionic than MnH. There additionally appears to be considerable sdsigma hybridization in molecular orbital formation for this molecule. Bond lengths of the 3d transition-metal sulfides were compared as well, and those of MnS, CuS, and TiS do not follow the trend of their oxide analogs. This result indicates that there are significant bonding differences between transition-metal sulfides and transition-metal oxides.

PROPERTIES AND MODELING OF UNRESOLVED FINE STRUCTURE LOOPS OBSERVED IN THE SOLAR TRANSITION REGION BY IRIS

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

Brooks, David H.; Reep, Jeffrey W.; Warren, Harry P.

Recent observations from the Interface Region Imaging Spectrograph ( IRIS ) have discovered a new class of numerous low-lying dynamic loop structures, and it has been argued that they are the long-postulated unresolved fine structures (UFSs) that dominate the emission of the solar transition region. In this letter, we combine IRIS measurements of the properties of a sample of 108 UFSs (intensities, lengths, widths, lifetimes) with one-dimensional non-equilibrium ionization simulations, using the HYDRAD hydrodynamic model to examine whether the UFSs are now truly spatially resolved in the sense of being individual structures rather than being composed of multiple magnetic threads.more » We find that a simulation of an impulsively heated single strand can reproduce most of the observed properties, suggesting that the UFSs may be resolved, and the distribution of UFS widths implies that they are structured on a spatial scale of 133 km on average. Spatial scales of a few hundred kilometers appear to be typical for a range of chromospheric and coronal structures, and we conjecture that this could be an important clue for understanding the coronal heating process.« less

Fine Structure of Beta Decay Strength Function and Anisotropy of Isovector Nuclear Dencity Component Oscillations in Deformed Nuclei

NASA Astrophysics Data System (ADS)

Izosimov, I. N.; Solnyshkin, A. A.; Khushvaktov, J. H.; Vaganov, Yu. A.

2018-05-01

The experimental measurement data on the fine structure of beta-decay strength function S β( E) in spherical, transitional, and deformed nuclei are analyzed. Modern high-resolution nuclear spectroscopy methods made it possible to identify the splitting of peaks in S β( E) for deformed nuclei. By analogy with splitting of the peak of E1 giant dipole resonance (GDR) in deformed nuclei, the peaks in S β( E) are split into two components from the axial nuclear deformation. In this report, the fine structure of S β( E) is discussed. Splitting of the peaks connected with the oscillations of neutrons against protons (E1GDR), of proton holes against neutrons (peaks in S β( E) of β+/ EC-decay), and of protons against neutron holes (peaks in S β( E) of β--decay) is discussed.

Recognition of strong seasonality and climatic cyclicity in an ancient, fluvially dominated, tidally influenced point bar: Middle McMurray Formation, Lower Steepbank River, north-eastern Alberta, Canada

NASA Astrophysics Data System (ADS)

Jablonski, Bryce V. J.; Dalrymple, Robert W.

2016-04-01

Inclined heterolithic stratification in the Lower Cretaceous McMurray Formation, exposed along the Steepbank River in north-eastern Alberta, Canada, accumulated on point bars of a 30 to 40 m deep continental-scale river in the fluvial-marine transition. This inclined heterolithic stratification consists of two alternating lithologies, sand and fine-grained beds. Sand beds were deposited rapidly by unidirectional currents and contain little or no bioturbation. Fine-grained beds contain rare tidal structures, and are intensely bioturbated by low-diversity ichnofossil assemblages. The alternations between the sand and fine-grained beds are probably caused by strong variations in fluvial discharge; that are believed to be seasonal (probably annual) in duration. The sand beds accumulated during river floods, under fluvially dominated conditions when the water was fresh, whereas the fine-grained beds accumulated during the late stages of the river flood and deposition continued under tidally influenced brackish-water conditions during times of low-river flow (i.e. the interflood periods). These changes reflect the annual migration in the positions of the tidal and salinity limits within the fluvial-marine transition that result from changes in river discharge. Sand and fine-grained beds are cyclically organized in the studied outcrops forming metre-scale cycles. A single metre-scale cycle is defined by a sharp base, an upward decrease in sand-bed thickness and upward increases in the preservation of fine-grained beds and the intensity of bioturbation. Metre-scale cycles are interpreted to be the product of a longer term (decadal) cyclicity in fluvial discharge, probably caused by fluctuations in ocean or solar dynamics. The volumetric dominance of river-flood deposits within the succession suggests that accumulation occurred in a relatively landward position within the fluvial-marine transition. This study shows that careful observation can reveal much about the interplay of processes within the fluvial-marine transition, which in turn provides a powerful tool for determining the palaeo-environmental location of a deposit within the fluvial-marine transition.

QUIESCENT PROMINENCES IN THE ERA OF ALMA: SIMULATED OBSERVATIONS USING THE 3D WHOLE-PROMINENCE FINE STRUCTURE MODEL

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

Gunár, Stanislav; Heinzel, Petr; Mackay, Duncan H.

2016-12-20

We use the detailed 3D whole-prominence fine structure model to produce the first simulated high-resolution ALMA observations of a modeled quiescent solar prominence. The maps of synthetic brightness temperature and optical thickness shown in the present paper are produced using a visualization method for synthesis of the submillimeter/millimeter radio continua. We have obtained the simulated observations of both the prominence at the limb and the filament on the disk at wavelengths covering a broad range that encompasses the full potential of ALMA. We demonstrate here extent to which the small-scale and large-scale prominence and filament structures will be visible inmore » the ALMA observations spanning both the optically thin and thick regimes. We analyze the relationship between the brightness and kinetic temperature of the prominence plasma. We also illustrate the opportunities ALMA will provide for studying the thermal structure of the prominence plasma from the cores of the cool prominence fine structure to the prominence–corona transition region. In addition, we show that detailed 3D modeling of entire prominences with their numerous fine structures will be important for the correct interpretation of future ALMA observations of prominences.« less

High temperature extended x-ray absorption fine structure study of multiferroic BiFeO3

NASA Astrophysics Data System (ADS)

Raghavendra Reddy, V.; Meneghini, Carlo; Kothari, Deepti; Gupta, Ajay; Aquilanti, Giuliana

2012-08-01

Local atomic structure modifications around Fe atoms in polycrystalline multiferroic BiFeO3 are studied by Fe K edge x-ray absorption spectroscopy as a function of temperature across the Néel temperature (TN = 643 K) in order to reveal local structure modifications related to the magnetic transition. This work demonstrates that on crossing TN the local structure around Fe shows peculiar changes: the Fe-O bond lengths get shorter, the ligand symmetry increases and the Fe-O bond length disorder (σ2) deviates from Debye behaviour. These results suggest that the structural transition at the ferroelectric Curie temperature (TC = 1103 K) is anticipated by early local rearrangement of the structure starting already at TN.

X-ray Absorption Study of Graphene Oxide and Transition Metal Oxide Nanocomposites.

PubMed

Gandhiraman, Ram P; Nordlund, Dennis; Javier, Cristina; Koehne, Jessica E; Chen, Bin; Meyyappan, M

2014-08-14

The surface properties of the electrode materials play a crucial role in determining the performance and efficiency of energy storage devices. Graphene oxide and nanostructures of 3d transition metal oxides were synthesized for construction of electrodes in supercapacitors, and the electronic structure and oxidation states were probed using near-edge X-ray absorption fine structure. Understanding the chemistry of graphene oxide would provide valuable insight into its reactivity and properties as the graphene oxide transformation to reduced-graphene oxide is a key step in the synthesis of the electrode materials. Polarized behavior of the synchrotron X-rays and the angular dependency of the near-edge X-ray absorption fine structures (NEXAFS) have been utilized to study the orientation of the σ and π bonds of the graphene oxide and graphene oxide-metal oxide nanocomposites. The core-level transitions of individual metal oxides and that of the graphene oxide nanocomposite showed that the interaction of graphene oxide with the metal oxide nanostructures has not altered the electronic structure of either of them. As the restoration of the π network is important for good electrical conductivity, the C K edge NEXAFS spectra of reduced graphene oxide nanocomposites confirms the same through increased intensity of the sp 2 -derived unoccupied states π* band. A pronounced angular dependency of the reduced sample and the formation of excitonic peaks confirmed the formation of extended conjugated network.

Rotational and fine structure of open-shell molecules in nearly degenerate electronic states

NASA Astrophysics Data System (ADS)

Liu, Jinjun

2018-03-01

An effective Hamiltonian without symmetry restriction has been developed to model the rotational and fine structure of two nearly degenerate electronic states of an open-shell molecule. In addition to the rotational Hamiltonian for an asymmetric top, this spectroscopic model includes the energy separation between the two states due to difference potential and zero-point energy difference, as well as the spin-orbit (SO), Coriolis, and electron spin-molecular rotation (SR) interactions. Hamiltonian matrices are computed using orbitally and fully symmetrized case (a) and case (b) basis sets. Intensity formulae and selection rules for rotational transitions between a pair of nearly degenerate states and a nondegenerate state have also been derived using all four basis sets. It is demonstrated using real examples of free radicals that the fine structure of a single electronic state can be simulated with either a SR tensor or a combination of SO and Coriolis constants. The related molecular constants can be determined precisely only when all interacting levels are simulated simultaneously. The present study suggests that analysis of rotational and fine structure can provide quantitative insights into vibronic interactions and related effects.

Planar Lattice Instability in LA2CUO4.1 across the Superconducting Transition

NASA Astrophysics Data System (ADS)

Acosta-Alejandro, Manuel; Mustre-de Leon, Jose; Conradson, Steven

2001-03-01

The local atomic structure of La2CuO4.1 around Cu K-edge is analyzed for 10

Role of cooperative structural distortions in the metal--insulator transitions of perovskite ferrates

NASA Astrophysics Data System (ADS)

Cammarata, Antonio; Rondinelli, James

2012-02-01

Transition-metal oxides within the perovskite crystal family exhibit strong electron--electron correlation effects that coexist with complex structural distortions, leading to metal-insulator (MI) transitions. Using first-principles density functional calculations, we investigate the effects of cooperative octahedral rotations and dilations/contractions on the charge-ordering MI-transition in CaFeO3. By calculating the evolution in the lattice phonons, which describe the different octahedral distortions present in the low-symmetry monoclinic phase of CaFeO3 with increasing electron correlation, we show that the MI-transition results from a complex interplay between these modes and correlation effects. We combine this study with group theoretical tools to disentangle the electron--lattice interactions by computing the evolution in the low-energy electronic band structure with the lattice phonons, demonstrating the MI-transition in CaFeO3 proceeds through a symmetry-lowering transition driven by a cooperative three-dimensional octahedral dilation/contraction pattern. Finally, we suggest a possible route by which to control the charge ordering by fine-tuning the electron--lattice coupling.

Atomic Clocks and Variations of the FIne Structure Constant

NASA Technical Reports Server (NTRS)

Prestage, John D.; Tjoelker, Robert L.; Maleki, Lute

1995-01-01

We describe a new test for possible variations of the fine structure constant alpha by comparisons of rates between clocks based on hyperfine transitions in alkali atoms with different atomic number Z. H-maser, Cs, and Hg(+) clocks have a different dependence on alpha via relativistic contributions of order (Z-alpha)(sup 2). Recent H-maser vs Hg(+) clock comparison data improve laboratory limits on a time variation by 100-fold to give dot-alpha less than or equal to 3.7 x 10(exp -14)/yr. Future laser cooled clocks (Be(+), Rb, Cs, Hg(+), etc.), when compared, will yield the most sensitive of all tests for dot-alpha/alpha.

Chromospheric counterparts of solar transition region unresolved fine structure loops

NASA Astrophysics Data System (ADS)

Pereira, Tiago M. D.; Rouppe van der Voort, Luc; Hansteen, Viggo H.; De Pontieu, Bart

2018-04-01

Low-lying loops have been discovered at the solar limb in transition region temperatures by the Interface Region Imaging Spectrograph (IRIS). They do not appear to reach coronal temperatures, and it has been suggested that they are the long-predicted unresolved fine structures (UFS). These loops are dynamic and believed to be visible during both heating and cooling phases. Making use of coordinated observations between IRIS and the Swedish 1-m Solar Telescope, we study how these loops impact the solar chromosphere. We show for the first time that there is indeed a chromospheric signal of these loops, seen mostly in the form of strong Doppler shifts and a conspicuous lack of chromospheric heating. In addition, we find that several instances have a inverse Y-shaped jet just above the loop, suggesting that magnetic reconnection is driving these events. Our observations add several puzzling details to the current knowledge of these newly discovered structures; this new information must be considered in theoretical models. Two movies associated to Fig. 1 are available at http://https://www.aanda.org

Collisional radiative model for Ar-O2 mixture plasma with fully relativistic fine structure cross sections

NASA Astrophysics Data System (ADS)

Priti, Gangwar, Reetesh Kumar; Srivastava, Rajesh

2018-04-01

A collisional radiative (C-R) model has been developed to diagnose the rf generated Ar-O2 (0%-5%) mixture plasma at low temperatures. Since in such plasmas the most dominant process is an electron impact excitation process, we considered several electron impact fine structure transitions in an argon atom from its ground as well as excited states. The cross-sections for these transitions have been obtained using the reliable fully relativistic distorted wave theory. Processes which account for the coupling of argon with the oxygen molecules have been further added to the model. We couple our model to the optical spectroscopic measurements reported by Jogi et al. [J. Phys. D: Appl. Phys. 47, 335206 (2014)]. The plasma parameters, viz. the electron density (ne) and the electron temperature (Te) as a function of O2 concentration have been obtained using thirteen intense emission lines out of 3p54p → 3p54s transitions observed in their spectroscopic measurements. It is found that as the content of O2 in Ar increases from 0%-5%, Te increases in the range 0.85-1.7 eV, while the electron density decreases from 2.76 × 1012-2.34 × 1011 cm-3. The Ar-3p54s (1si) fine-structure level populations at our extracted plasma parameters are found to be in very good agreement with those obtained from the measurements. Furthermore, we have estimated the individual contributions coming from the ground state, 1si manifolds and cascade contributions to the population of the radiating Ar-3p54p (2pi) states as a function of a trace amount of O2. Such information is very useful to understand the importance of various processes occurring in the plasma.

Fine-structure calculations of energy levels, oscillator strengths, and transition probabilities for sulfur-like iron, Fe XI

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

Abou El-Maaref, A., E-mail: aahmh@hotmail.com; Ahmad, Mahmoud; Allam, S.H.

Energy levels, oscillator strengths, and transition probabilities for transitions among the 14 LS states belonging to configurations of sulfur-like iron, Fe XI, have been calculated. These states are represented by configuration interaction wavefunctions and have configurations 3s{sup 2}3p{sup 4}, 3s3p{sup 5}, 3s{sup 2}3p{sup 3}3d, 3s{sup 2}3p{sup 3}4s, 3s{sup 2}3p{sup 3}4p, and 3s{sup 2}3p{sup 3}4d, which give rise to 123 fine-structure energy levels. Extensive configuration interaction calculations using the CIV3 code have been performed. To assess the importance of relativistic effects, the intermediate coupling scheme by means of the Breit–Pauli Hamiltonian terms, such as the one-body mass correction and Darwin term,more » and spin–orbit, spin–other-orbit, and spin–spin corrections, are incorporated within the code. These incorporations adjusted the energy levels, therefore the calculated values are close to the available experimental data. Comparisons between the present calculated energy levels as well as oscillator strengths and both experimental and theoretical data have been performed. Our results show good agreement with earlier works, and they might be useful in thermonuclear fusion research and astrophysical applications. -- Highlights: •Accurate atomic data of iron ions are needed for identification of solar corona. •Extensive configuration interaction wavefunctions including 123 fine-structure levels have been calculated. •The relativistic effects by means of the Breit–Pauli Hamiltonian terms are incorporated. •This incorporation adjusts the energy levels, therefore the calculated values are close to experimental values.« less

Fine structure in the transition region: reaction force analyses of water-assisted proton transfers.

PubMed

Yepes, Diana; Murray, Jane S; Santos, Juan C; Toro-Labbé, Alejandro; Politzer, Peter; Jaque, Pablo

2013-07-01

We have analyzed the variation of the reaction force F(ξ) and the reaction force constant κ(ξ) along the intrinsic reaction coordinates ξ of the water-assisted proton transfer reactions of HX-N = Y (X,Y = O,S). The profile of the force constant of the vibration associated with the reactive mode, k ξ (ξ), was also determined. We compare our results to the corresponding intramolecular proton transfers in the absence of a water molecule. The presence of water promotes the proton transfers, decreasing the energy barriers by about 12 - 15 kcal mol(-1). This is due in part to much smaller bond angle changes being needed than when water is absent. The κ(ξ) profiles along the intrinsic reaction coordinates for the water-assisted processes show striking and intriguing differences in the transition regions. For the HS-N = S and HO-N = S systems, two κ(ξ) minima are obtained, whereas for HO-N = O only one minimum is found. The k ξ (ξ) show similar behavior in the transition regions. We propose that this fine structure reflects the degree of synchronicity of the two proton migrations in each case.

New limits on variation of the fine-structure constant using atomic dysprosium.

PubMed

Leefer, N; Weber, C T M; Cingöz, A; Torgerson, J R; Budker, D

2013-08-09

We report on the spectroscopy of radio-frequency transitions between nearly degenerate, opposite-parity excited states in atomic dysprosium (Dy). Theoretical calculations predict that these states are very sensitive to variation of the fine-structure constant α owing to large relativistic corrections of opposite sign for the opposite-parity levels. The near degeneracy reduces the relative precision necessary to place constraints on variation of α, competitive with results obtained from the best atomic clocks in the world. Additionally, the existence of several abundant isotopes of Dy allows isotopic comparisons that suppress common-mode systematic errors. The frequencies of the 754-MHz transition in 164Dy and 235-MHz transition in 162Dy are measured over the span of two years. The linear variation of α is α·/α=(-5.8±6.9([1σ]))×10(-17)  yr(-1), consistent with zero. The same data are used to constrain the dimensionless parameter kα characterizing a possible coupling of α to a changing gravitational potential. We find that kα=(-5.5±5.2([1σ]))×10(-7), essentially consistent with zero and the best constraint to date.

Intramolecular energy transfer and the driving mechanisms for large-amplitude collective motions of clusters

NASA Astrophysics Data System (ADS)

Yanao, Tomohiro; Koon, Wang Sang; Marsden, Jerrold E.

2009-04-01

This paper uncovers novel and specific dynamical mechanisms that initiate large-amplitude collective motions in polyatomic molecules. These mechanisms are understood in terms of intramolecular energy transfer between modes and driving forces. Structural transition dynamics of a six-atom cluster between a symmetric and an elongated isomer is highlighted as an illustrative example of what is a general message. First, we introduce a general method of hyperspherical mode analysis to analyze the energy transfer among internal modes of polyatomic molecules. In this method, the (3n-6) internal modes of an n-atom molecule are classified generally into three coarse level gyration-radius modes, three fine level twisting modes, and (3n-12) fine level shearing modes. We show that a large amount of kinetic energy flows into the gyration-radius modes when the cluster undergoes structural transitions by changing its mass distribution. Based on this fact, we construct a reactive mode as a linear combination of the three gyration-radius modes. It is shown that before the reactive mode acquires a large amount of kinetic energy, activation or inactivation of the twisting modes, depending on the geometry of the isomer, plays crucial roles for the onset of a structural transition. Specifically, in a symmetric isomer with a spherical mass distribution, activation of specific twisting modes drives the structural transition into an elongated isomer by inducing a strong internal centrifugal force, which has the effect of elongating the mass distribution of the system. On the other hand, in an elongated isomer, inactivation of specific twisting modes initiates the structural transition into a symmetric isomer with lower potential energy by suppressing the elongation effect of the internal centrifugal force and making the effects of the potential force dominant. This driving mechanism for reactions as well as the present method of hyperspherical mode analysis should be widely applicable to molecular reactions in which a system changes its overall mass distribution in a significant way.

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

Nigro, Valentina, E-mail: nigro@fis.uniroma3.it; Bruni, Fabio; Ricci, Maria Antonietta

The temperature dependence of the local intra-particle structure of colloidal microgel particles, composed of interpenetrated polymer networks, has been investigated by small-angle neutron scattering at different pH and concentrations, in the range (299÷315) K, where a volume phase transition from a swollen to a shrunken state takes place. Data are well described by a theoretical model that takes into account the presence of both interpenetrated polymer networks and cross-linkers. Two different behaviors are found across the volume phase transition. At neutral pH and T ≈ 307 K, a sharp change of the local structure from a water rich open inhomogeneousmore » interpenetrated polymer network to a homogeneous porous solid-like structure after expelling water is observed. Differently, at acidic pH, the local structure changes almost continuously. These findings demonstrate that a fine control of the pH of the system allows to tune the sharpness of the volume-phase transition.« less

Fine structure of the red luminescence band in undoped GaN

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

Reshchikov, M. A., E-mail: mreshchi@vcu.edu; Usikov, A.; Saint-Petersburg National Research University of Information Technologies, Mechanics and Optics, 49 Kronverkskiy Ave., 197101 Saint Petersburg

2014-01-20

Many point defects in GaN responsible for broad photoluminescence (PL) bands remain unidentified. Their presence in thick GaN layers grown by hydride vapor phase epitaxy (HVPE) detrimentally affects the material quality and may hinder the use of GaN in high-power electronic devices. One of the main PL bands in HVPE-grown GaN is the red luminescence (RL) band with a maximum at 1.8 eV. We observed the fine structure of this band with a zero-phonon line (ZPL) at 2.36 eV, which may help to identify the related defect. The shift of the ZPL with excitation intensity and the temperature-related transformation of the RLmore » band fine structure indicate that the RL band is caused by transitions from a shallow donor (at low temperature) or from the conduction band (above 50 K) to an unknown deep acceptor having an energy level 1.130 eV above the valence band.« less

Far-infrared Spectroscopy of Interstellar Gas

NASA Technical Reports Server (NTRS)

Phillips, T. G.

1984-01-01

Research results of far-infrared spectroscopy with the Kuiper Airborne Observatory are discussed. Both high and intermediate resolution have been successfully employed in the detection of many new molecular and atomic lines including rotational transition of hydrides such as OH, H2O, NH3 and HCl; high J rotational transitions of CO; and the ground state fine structure transitions of atomic carbon, oxygen, singly ionized carbon and doubly ionized oxygen and nitrogen. These transitions have been used to study the physics and chemistry of clouds throughout the galaxy, in the galactic center region and in neighboring galaxies. This discussion is limited to spectroscopic studies of interstellar gas.

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

Nahar, Sultana N., E-mail: nahar@astronomy.ohio-state.edu

The atomic parameters–oscillator strengths, line strengths, radiative decay rates (A), and lifetimes–for fine structure transitions of electric dipole (E1) type for the astrophysically abundant ion Ne IV are presented. The results include 868 fine structure levels with n≤ 10, l≤ 9, and 1/2≤J≤ 19/2 of even and odd parities, and the corresponding 83,767 E1 transitions. The calculations were carried out using the relativistic Breit–Pauli R-matrix method in the close coupling approximation. The transitions have been identified spectroscopically using an algorithm based on quantum defect analysis and other criteria. The calculated energies agree with the 103 observed and identified energies to withinmore » 3% or better for most of the levels. Some larger differences are also noted. The A-values show good to fair agreement with the very limited number of available transitions in the table compiled by NIST, but show very good agreement with the latest published multi-configuration Hartree–Fock calculations. The present transitions should be useful for diagnostics as well as for precise and complete spectral modeling in the soft X-ray to infra-red regions of astrophysical and laboratory plasmas. -- Highlights: •The first application of BPRM method for accurate E1 transitions in Ne IV is reported. •Amount of atomic data (n going up to 10) is complete for most practical applications. •The calculated energies are in very good agreement with most observed levels. •Very good agreement of A-values and lifetimes with other relativistic calculations. •The results should provide precise nebular abundances, chemical evolution etc.« less

Fine Structure Analysis of 4702 oA Band of the Molecule

NASA Astrophysics Data System (ADS)

Sureshkumar, M. B.; Srikant, S. R.

1998-01-01

The emission spectrum of the cobalt monochloride molecule has been excited in a high frequency discharge tube source and the (0,0) band of H-system at 4702 Å was photo-graphed at an inverse dispersion of 0.973 Å/mm in the 5th order of a two meter plane grating spectrograph (Carl-Zeiss). The fine structure analysis of the band has been carried out and the molecular constants are reported for the first time. Rotational isotopic shift due to 37Cl support the analysis. The electronic transition involved is of the type 0---- 0- of case (c) which is equivalent of 3sum+---3sum+ or 5sum+---5sum+.

Autoionization structure of nitric oxide (NO) at the first ionization limit

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

Miescher, E.; Lee, Y.T.; Guertler, P.

1978-03-15

A new and more detailed interpretation is given to the fine structure in the photoionization curve of cold NO observed by Ng, Mahan, and Lee. Resonances are assigned to autoionizing np and nddelta Rydberg levels which give prominent diffuse absorption bands in a spectrum recorded with the synchrotron radiation continuum. ..delta nu..<-1transitions in the vibrational autoionization process are substantiated.

Hydrothermal recrystallization of transition metal nitroprussides. Formation of the most stable phases

NASA Astrophysics Data System (ADS)

Echevarría, F.; Reguera, L.; González M, M.; Galicia, J.; Ávila, M.; Reguera, E.

2018-02-01

Hydrothermal recrystallization appears to be an appropriate treatment to explore the structural diversity of porous coordination polymers. In this contribution, such a post-synthesis treatment is applied to divalent transition metal nitroprussides, T[Fe(CN)5NO]•xH2O with T =Mn, Fe, Co, Ni, Cu, Zn, Cd. This family of compounds forms an interesting series of nanoporous coordination polymers with a wide structural diversity, related to the synthesis route used and the solid hydration degree (x). The effect of a hydrothermal recrystallization of previously prepared fine powders using the precipitation method, on their crystal structure and related properties is herein discussed. In this series of coordination polymers, for Fe, Co, Ni the precipitated powders are obtained as cubic phase, with a high porosity related to presence of systematic vacancies for building unit [Fe(CN)5NO]. For Fe and Co a structural transition, from cubic to orthorhombic, was observed, which is associated to formation of a most compact structure. The crystal structure for the new orthorhombic phases was refined from the collected powder HR-XRD patterns. For Ni, the cubic phase remains stable even for large heating time, which is ascribed to the high polarizing power of this metal. The high porosity for the cubic phase allows an easy accommodation for the local deformations around the Ni atom coordination sphere. The structural information from XRD was complemented with CO2 and H2 adsorption and TG data, IR and UV-vis spectra, and magnetic measurements. The magnetic data, through the presence of spin-orbit coupling for Fe and Co in the two phases, provide fine details on the coordination environment for the metal linked at the N ends of the CN group.

Schedule of Spermatogenesis in the Pulmonate Snail Helix aspersa, with Special Reference to Histone Transition

PubMed Central

Bloch, David P.; Hew, Howard Y. C.

1960-01-01

The schedule of spermatogenesis is determined from the times necessary for cells labeled with tritium thymidine during premeiotic DNA synthesis to pass through the successive spermatogenic stages. A transition from a typically somatic histone rich in lysine, to a histone rich in arginine is shown to occur during spermatid stages. A later shift to a protamine is observed in the maturing sperm. These changes are characterized by the use of in situ staining methods. The transition to an arginine-rich histone is accompanied by incorporation of tritium-labeled arginine, hence reflects synthesis of new protein. Comparison of the timing of arginine and thymidine incorporation, and independent measurements of DNA, show that in contrast to the case of premitotic chromosome duplication, the histone synthesis in the spermatid is unaccompanied by DNA synthesis. During the initial histone change, fine filaments are formed within the nucleus, which aggregate to form lamellae. This fine structure is lost during maturation of the sperm. PMID:13801496

Intrinsic exciton-state mixing and nonlinear optical properties in transition metal dichalcogenide monolayers

NASA Astrophysics Data System (ADS)

Glazov, M. M.; Golub, L. E.; Wang, G.; Marie, X.; Amand, T.; Urbaszek, B.

2017-01-01

Optical properties of transition metal dichalcogenides monolayers are controlled by Wannier-Mott excitons forming a series of 1 s ,2 s ,2 p ,... hydrogen-like states. We develop the theory of the excited excitonic states energy spectrum fine structure. We predict that p - and s -shell excitons are mixed due to the specific D3 h point symmetry of the transition metal dichalcogenide monolayers. Hence, both s - and p -shell excitons are active in both single- and two-photon processes, providing an efficient mechanism of second harmonic generation. The corresponding contribution to the nonlinear susceptibility is calculated.

Cold molecule spectroscopy for constraining the evolution of the fine structure constant.

PubMed

Hudson, Eric R; Lewandowski, H J; Sawyer, Brian C; Ye, Jun

2006-04-14

We report precise measurements of ground-state, Lambda-doublet microwave transitions in the hydroxyl radical molecule (OH). Utilizing slow, cold molecules produced by a Stark decelerator we have improved over the precision of the previous best measurement 25-fold for the F'=2-->F=2 transition, yielding (1 667 358 996 +/- 4)Hz, and by tenfold for the F'=1-->F=1 transition, yielding (1 665 401 803 +/-12)Hz. Comparing these laboratory frequencies to those from OH megamasers in interstellar space will allow a sensitivity of 1 ppm for Delta(alpha/alpha) over approximately 10(10) yr.

Changes in solidified microstructures

NASA Technical Reports Server (NTRS)

Wallace, J. F.

1984-01-01

The properties and casting behavior of metals are significantly affected by their cast structure. This structure is optimized by producing columnar versus equiaxed grains and coarse versus fine grains by controlling solidification conditions. The transition from columnar to equiaxed grains is favored by: constitutional supercooling with effective nucleation of free dendrites; melting off and transport of dendrite tips and arms; mechanical vibration; falling down of free dendrites from a chilled top surface; and induced flow in the solidifying structure by oscillation of rotation.

Direct measurement of the low temperature spin state transitions in La1-xSrxCoO3 (0.05 < x < 0.3)

NASA Astrophysics Data System (ADS)

Gulec, A.; Klie, R. F.

2014-12-01

Sr-doped LaCoO3 has a complex magnetic phase diagram, which is believed to be directly correlated to changes in the crystal structure and ordering of the Co3+ spin states. In this work, we study the low temperature Co3+-ion spin state transitions in Sr-doped LaCoO3 around the critical doping concentration where a metal to insulator transition has been observed using electron energy-loss spectroscopy of the O K-edge combined with the Co L-edge fine structure. We measure the local spin state of the Co3+-ions and we demonstrate that the Co3+ spin-state transition only occurs in La0.95Sr0.05CoO3 single-crystal materials in the temperature range accessible by LN2 in-situ cooling, while no structural symmetry change is observed. The presence of this low-temperature spin-state transition in La1-xSrxCoO3 (x < 0.17) has been proposed as the origin of the percolative magnetic ordering in doped LaCoO3.

Insight into the biological effects of acupuncture points by X-ray absorption fine structure.

PubMed

Liu, Chenglin; Liu, Qinghua; Zhang, Dongming; Liu, Wei; Yan, Xiaohui; Zhang, Xinyi; Oyanagi, Hiroyuki; Pan, Zhiyun; Hu, Fengchun; Wei, Shiqiang

2018-06-02

Exploration of the biological effects of transition metal ions in acupuncture points is essential to clarify the functional mechanism of acupuncture treatment. Here we show that in the SP6 acupuncture point (Sanyinjiao) the Fe ions are in a high-spin state of approximately t 2g 4.5 e g 1.5 in an Fe-N(O) octahedral crystal field. The Fe K-edge synchrotron radiation X-ray absorption fine structure results reveal that the Fe-N and Fe-O bond lengths in the SP6 acupuncture point are 2.05 and 2.13 Å, respectively, and are 0.05-0.10 Å longer than those in the surrounding tissue. The distorted atomic structure reduces the octahedral symmetry and weakens the crystal field around the Fe ions by approximately 0.3 eV, leading to the high-spin configuration of the Fe ions, which is favorable for strengthening the magnetotransport and oxygen transportation properties in the acupuncture point by the enhanced spin coherence. This finding might provide some insight into the microscopic effect of the atomic and electronic interactions of transition metal ions in the acupuncture point. Graphical Abstract ᅟ.

A study of the structure of the ν1(HF) absorption band of the СH3СN…HF complex

NASA Astrophysics Data System (ADS)

Gromova, E. I.; Glazachev, E. V.; Bulychev, V. P.; Koshevarnikov, A. M.; Tokhadze, K. G.

2015-09-01

The ν1(HF) absorption band shape of the CH3CN…HF complex is studied in the gas phase at a temperature of 293 K. The spectra of gas mixtures CH3CN/HF are recorded in the region of 4000-3400 cm-1 at a resolution from 0.1 to 0.005 cm-1 with a Bruker IFS-120 HR vacuum Fourier spectrometer in a cell 10 cm in length with wedge-shaped sapphire windows. The procedure used to separate the residual water absorption allows more than ten fine-structure bands to be recorded on the low-frequency wing of the ν1(HF) band. It is shown that the fine structure of the band is formed primarily due to hot transitions from excited states of the low-frequency ν7 librational vibration. Geometrical parameters of the equilibrium nuclear configuration, the binding energy, and the dipole moment of the complex are determined from a sufficiently accurate quantum-chemical calculation. The frequencies and intensities for a number of spectral transitions of this complex are obtained in the harmonic approximation and from variational solutions of anharmonic vibrational problems.

Energy levels and radiative transition rates for Ge XXXI, As XXXII, and Se XXXIII

NASA Astrophysics Data System (ADS)

Aggarwal, Sunny; Singh, J.; Jha, A. K. S.; Mohan, Man

2014-07-01

Fine-structure energies of the 67 levels belonging to the 1s2, 1s 2l, 1s3l, 1s4l, 1s5l, and 1s6l configurations of Ge XXXI, As XXXII, and Se XXXIII have been calculated using the General-Purpose Relativistic Atomic Structure Package. In addition, radiative rates, oscillator strengths, transition wavelengths, and line strengths have been calculated for all electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole transitions among these levels. Lifetimes are also presented for all excited levels of these three ions. We have compared our results with the results available in the literature and the accuracy of the data is assessed. We predict new energy levels, oscillator strengths, and transition probabilities where no other theoretical or experimental results are available, which will form the basis for future experimental work.

Hyperfine excitation of OH+ by H

NASA Astrophysics Data System (ADS)

Lique, François; Bulut, Niyazi; Roncero, Octavio

2016-10-01

The OH+ ions are widespread in the interstellar medium and play an important role in the interstellar chemistry as they act as precursors to the H2O molecule. Accurate determination of their abundance rely on their collisional rate coefficients with atomic hydrogen and electrons. In this paper, we derive OH+-H fine and hyperfine-resolved rate coefficients by extrapolating recent quantum wave packet calculations for the OH+ + H collisions, including inelastic and exchange processes. The extrapolation method used is based on the infinite order sudden approach. State-to-state rate coefficients between the first 22 fine levels and 43 hyperfine levels of OH+ were obtained for temperatures ranging from 10 to 1000 K. Fine structure-resolved rate coefficients present a strong propensity rule in favour of Δj = ΔN transitions. The Δj = ΔF propensity rule is observed for the hyperfine transitions. The new rate coefficients will help significantly in the interpretation of OH+ spectra from photon-dominated region (PDR), and enable the OH+ molecule to become a powerful astrophysical tool for studying the oxygen chemistry.

Electron Impact Exciation of Fe IX

NASA Astrophysics Data System (ADS)

Tayal, Swaraj; Zatsarinny, Oleg

2015-05-01

Transition probabilities and electron impact excitation collision strengths and rates for astrophysically important extreme ultraviolet lines of Fe IX are calculated. The 322 fine-structure levels of the 3s2 3p6 , 3s2 3p5 3 d , 3 s 3p6 3 d , 3s2 3p5 4 s , and 3s2 3p4 3d2 configurations are included in our calculations. The collision strengths have been calculated using the B-spline Breit-Pauli R-matrix method for all fine-structure transitions among the 322 levels. The mass, Darwin, and spin-orbit relativistic effects are included in the Breit-Pauli Hamiltonian in the scattering calculation. The one-body and two-body relativistic operators are included in the multi-configuration Hartree-Fock calculations of transition probabilities. Several sets of non-orthogonal spectroscopic and correlation radial orbitals are used to obtain accurate description of Fe IX levels and to represent the scattering functions. The calculated excitation energies are in very good agreement with experiment and represents an improvement over the previous calculations. The present collision strengths show reasonable agreement with the previously available R-matrix and distorted-wave calculations. This research is supported by NASA grant from the Solar and Heliophysics Program.

Excitation energies, oscillator strengths and lifetimes in Mg-like vanadium

NASA Astrophysics Data System (ADS)

Gupta, G. P.; Msezane, A. Z.

2013-08-01

Excitation energies from the ground state for 86 fine-structure levels as well as oscillator strengths and radiative decay rates for all fine-structure transitions among the levels of the terms (1s22s22p6)3s2(1S), 3s3p(1,3Po), 3s3d(1,3D), 3s4s(1,3S), 3s4p(1,3Po), 3s4d(1,3D), 3s4f(1,3Fo), 3p2(1S, 3P, 1D), 3p3d(1,3Po, 1,3Do, 1,3Fo), 3p4s(1,3Po), 3p4p(1,3S, 1,3P, 1,3D), 3p4d(1,3Po, 1,3Do, 1,3Fo), 3p4f(1,3D, 1,3F, 1,3G) and 3d2(1S, 3P, 1D,3F,1G) of V XII are calculated using extensive configuration-interaction wave functions obtained with the configuration-interaction version 3 computer code of Hibbert. The important relativistic effects in intermediate coupling are included through the Breit-Pauli approximation. In order to keep our calculated energy splittings as close as possible to the corresponding experimental values, we have made small adjustments to the diagonal elements of the Hamiltonian matrices. The mixing among several fine-structure levels is found to be very strong. Our fine-tuned excitation energies, including their ordering, are in excellent agreement (better than 0.25%) with the available experimental results. From our calculated radiative decay rates, we have also calculated the radiative lifetimes of fine-structure levels. Generally, our calculated data for the excitation energies and radiative decay rates are found to agree reasonably well with other available calculations. However, significant differences between our calculated lifetimes and those from the calculation of Froese Fischer et al (2006 At. Data Nucl. Data Tables 92 607) for a few fine-structure levels, mainly those belonging to the 3p4d configuration, are noted and discussed. Also, our calculated lifetime for the longer-lived level 3s3p(3P1) is found to be in excellent agreement with the corresponding value of Curtis (1991 Phys. Scr. 43 137). ) for all 1108 transitions in V XII are available with the first author ().

Coupling fine particle and bedload transport in gravel-bedded streams

NASA Astrophysics Data System (ADS)

Park, Jungsu; Hunt, James R.

2017-09-01

Fine particles in the silt- and clay-size range are important determinants of surface water quality. Since fine particle loading rates are not unique functions of stream discharge this limits the utility of the available models for water quality assessment. Data from 38 minimally developed watersheds within the United States Geological Survey stream gauging network in California, USA reveal three lines of evidence that fine particle release is coupled with bedload transport. First, there is a transition in fine particle loading rate as a function of discharge for gravel-bedded sediments that does not appear when the sediment bed is composed of sand, cobbles, boulders, or bedrock. Second, the discharge at the transition in the loading rate is correlated with the initiation of gravel mobilization. Third, high frequency particle concentration and discharge data are dominated by clockwise hysteresis where rising limb discharges generally have higher concentrations than falling limb discharges. These three observations across multiple watersheds lead to a conceptual model that fine particles accumulate within the sediment bed at discharges less than the transition and then the gravel bed fluidizes with fine particle release at discharges above the transition discharge. While these observations were individually recognized in the literature, this analysis provides a consistent conceptual model based on the coupling of fine particle dynamics with filtration at low discharges and gravel bed fluidization at higher discharges.

X-ray absorption near-edge spectroscopy in bioinorganic chemistry: Application to M–O2 systems

PubMed Central

Sarangi, Ritimukta

2012-01-01

Metal K-edge X-ray absorption spectroscopy (XAS) has been extensively applied to bioinorganic chemistry to obtain geometric structure information on metalloprotein and biomimetic model complex active sites by analyzing the higher energy extended X-ray absorption fine structure (EXAFS) region of the spectrum. In recent years, focus has been on developing methodologies to interpret the lower energy K-pre-edge and rising-edge regions (XANES) and using it for electronic structure determination in complex bioinorganic systems. In this review, the evolution and progress of 3d-transition metal K-pre-edge and rising-edge methodology development is presented with particular focus on applications to bioinorganic systems. Applications to biomimetic transition metal–O2 intermediates (M = Fe, Co, Ni and Cu) are reviewed, which demonstrate the power of the method as an electronic structure determination technique and its impact in understanding the role of supporting ligands in tuning the electronic configuration of transition metal–O2 systems. PMID:23525635

Polymorphic transition of solid-fats dispersed systems — its characterization by a novel method and scanning electron microscopy observation

NASA Astrophysics Data System (ADS)

Hirokawa, Norio; Ueda, Masahiro; Harano, Yoshio

1994-08-01

Solid-fats dispersed systems, such as margarine, butter and cacao-butter, were characterized by a novel method based on liquid permeation under pressure, for the simultaneous measurement of a solid-content ɛ p and an average diameter dp of solid particles (fats crystals) in them. Further, micro-structures of these systems were observed by a scanning electron microscope (SEM). As the result, it has been clarified that the spherical fats crystals of several μm in size appeared in the initial solid-fats products are agglomerates of fine particles of ca. 0.1 μm and that these fine particles are uniformly redispersed during an annealing treatment accompanying the reduction of ɛ p and dp. It is strongly suggested that this phenomenon is caused by a transition of fat crystals into a more stable polymorph.

Photoionization of ground and excited levels of P II

NASA Astrophysics Data System (ADS)

Nahar, Sultana N.

2017-01-01

Photoionization cross section (σPI) of P II, (hν + P II → P III + e), from ground and a large number of excited levels are presented. The study includes the resonant structures and the characteristics of the background in photoionization cross sections. The present calculations were carried out in the Breit-Pauli R-matrix (BPRM) method that includes relativistic effects. The autoionizing resonances are delineated with a fine energy mesh to observe the fine structure effects. A singular resonance, formed by the coupling of channels in fine structure but not allowed in LS coupling, is seen at the ionization threshold of photoionization for the ground and many excited levels. The background cross section is seen enhanced compared to smooth decay for the excited levels. Examples are presented to illustrate the enhanced background cross sections at the energies of the core levels, 4P3/2 and 2D3/2, that are allowed for electric dipole transitions by the core ground level 2 P1/2o. In addition strong Seaton or photo-excitation-of-core (PEC) resonances are found in the photoionization of single valence electron excited levels. Calculations used a close coupling wave function expansion that included 18 fine structure levels of core P III from configurations 3s23p, 3s3p2, 3s23d, 3s24s, 3s24p and 3p3. Photoionization cross sections are presented for all 475 fine structure levels of P II found with n ≤ 10 and l ≤ 9. The present results will provide high precision parameters of various applications involving this less studied ion.

Stress-induced nematicity in EuFe 2 As 2 studied by Raman spectroscopy

DOE PAGES

Zhang, W. -L.; Sefat, Athena S.; Ding, H.; ...

2016-07-18

Here, we use polarized Raman scattering to study the structural phase transition in EuFe 2 As 2 , the parent compound of the 122-ferropnictide superconductors. The in-plane lattice anisotropy is characterized by measurements of the side surface with different strains induced by different preparation methods. We also show that while a fine surface polishing leaves the samples free of residual internal strain, in which case the onset of the C 4 symmetry breaking is observed at the nominal structural phase transition temperature T S , cutting the side surface induces a permanent fourfold rotational symmetry breaking spanning tens ofmore » degrees above T S .« less

Synthesis of TiO2 Nanoparticle and its phase Transition

NASA Astrophysics Data System (ADS)

Mangrola, M. H.; Joshi, V. G.; Parmar, B. H.

2011-12-01

Here we report the synthesis of titanium dioxide (TiO2) nanoparticles and study of its phase transition from anataze to rutile. Titanium dioxide (TiO2) nanoparticles have been prepared by hydrolysis of Titanium isopropoxide an aqueous solution with constant value of pH 2 and peptizing the resultant suspension gel(white-Blue) and calcinate gel at different temperature. Structures of synthetic samples of TiO2 have been examined by X-ray diffraction (XRD) and scanning electron microscope (SEM). The anatase-rutile transition has been a popular topic due to its interest to scientific and engineering fields. . Here we have seen that the 100 °C calcinate powder consist of anatase fine crystalline phase with a particle size 14 to 15 nm. The prepared TiO2 nanoparticles have uniform size and morphology, and the phase transformation kinetics of obtained material was studied by interpretation of the X-ray diffraction patterns peaks. The phase transform occurred from anatase to rutile at calcinate temperature up to 600 °C. A very fine network texture made from uniform nanoparticles was revealed by scanning electron microscopy (SEM) analyses.

Fine flow structures in the transition region small-scale loops

NASA Astrophysics Data System (ADS)

Yan, L.; Peter, H.; He, J.; Wei, Y.

2016-12-01

The observation and model have suggested that the transition region EUV emission from the quiet sun region is contributed by very small scale loops which have not been resolved. Recently, the observation from IRIS has revealed that this kind of small scale loops. Based on the high resolution spectral and imaging observation from IRIS, much more detail work needs to be done to reveal the fine flow features in this kind of loop to help us understand the loop heating. Here, we present a detail statistical study of the spatial and temporal evolution of Si IV line profiles of small scale loops and report the spectral features: there is a transition from blue (red) wing enhancement dominant to red (blue) wing enhancement dominant along the cross-section of the loop, which is independent of time. This feature appears as the loop appear and disappear as the loop un-visible. This is probably the signature of helical flow along the loop. The result suggests that the brightening of this kind of loop is probably due to the current dissipation heating in the twisted magnetic field flux tube.

Quasi-phases and pseudo-transitions in one-dimensional models with nearest neighbor interactions

NASA Astrophysics Data System (ADS)

de Souza, S. M.; Rojas, Onofre

2018-01-01

There are some particular one-dimensional models, such as the Ising-Heisenberg spin models with a variety of chain structures, which exhibit unexpected behaviors quite similar to the first and second order phase transition, which could be confused naively with an authentic phase transition. Through the analysis of the first derivative of free energy, such as entropy, magnetization, and internal energy, a "sudden" jump that closely resembles a first-order phase transition at finite temperature occurs. However, by analyzing the second derivative of free energy, such as specific heat and magnetic susceptibility at finite temperature, it behaves quite similarly to a second-order phase transition exhibiting an astonishingly sharp and fine peak. The correlation length also confirms the evidence of this pseudo-transition temperature, where a sharp peak occurs at the pseudo-critical temperature. We also present the necessary conditions for the emergence of these quasi-phases and pseudo-transitions.

Transition properties of the Be-like Kα X-ray from Mg IX

NASA Astrophysics Data System (ADS)

Hu, Feng; Zhang, Shufang; Sun, Yan; Mei, Maofei; Sang, Cuicui; Yang, Jiamin

2017-12-01

Energy levels among the lowest 40 fine-structure levels in Be-like Mg IX are calculated using grasp2K code. The wavelengths, oscillator strengths, radiative rates and lifetimes for all possible Kα transitions have been calculated using the multiconfiguration Dirac-Fock method. The accuracy of the results is determined through extensive comparisons with the existing laboratory measurements and theoretical results. The present data can be used reliably for many purposes, such as the line identification of the observed spectra, and modelling and diagnostics of magnesium plasma.

Improved excitation rate coefficients for the n = 2 and n = 3 levels of Ca XIX and Fe XXV including fine structure

NASA Technical Reports Server (NTRS)

Pradhan, A. K.

1985-01-01

Reently calculated collision strengths, including relativistic and resonance effects, are employed to compute Maxwellian averaged collision strengths for 78 transitions involving states of principal quantum numbers 2-1 and 3-1 in Ca XIX and Fe XXV. These rate parameters are tabulated at temperatures of interest in astrophysical and labortory plasmas with radiation in the hard X-ray wavelength range. For some transitions, significant differences are found with the earlier calculations of Pradhan, Norcross, and Hummer (1981).

Fine-scale characteristics of interplanetary sector

NASA Technical Reports Server (NTRS)

Behannon, K. W.; Neubauer, F. M.; Barnstoff, H.

1980-01-01

The structure of the interplanetary sector boundaries observed by Helios 1 within sector transition regions was studied. Such regions consist of intermediate (nonspiral) average field orientations in some cases, as well as a number of large angle directional discontinuities (DD's) on the fine scale (time scales 1 hour). Such DD's are found to be more similar to tangential than rotational discontinuities, to be oriented on average more nearly perpendicular than parallel to the ecliptic plane to be accompanied usually by a large dip ( 80%) in B and, with a most probable thickness of 3 x 10 to the 4th power km, significantly thicker previously studied. It is hypothesized that the observed structures represent multiple traversals of the global heliospheric current sheet due to local fluctuations in the position of the sheet. There is evidence that such fluctuations are sometimes produced by wavelike motions or surface corrugations of scale length 0.05 - 0.1 AU superimposed on the large scale structure.

Effects of acoustic- and optical-phonon sidebands on the fundamental optical-absorption edge in crystals and disordered semiconductors

NASA Astrophysics Data System (ADS)

Grein, C. H.; John, Sajeev

1990-04-01

We present the results of a parameter-free first-principles theory for the fine structure of the Urbach optical-absorption edge in crystalline and disordered semiconductors. The dominant features are recaptured by means of a simple physical argument based on the most probable potential-well analogy. At finite temperatures, the overall linear exponential Urbach behavior of the subgap optical-absorption coefficient is a consequence of multiple LA-phonon emission and absorption sidebands that accompany the electronic transition. The fine structure of subgap absorption spectra observed in some materials is accounted for by multiple TO-, LO-, and TA-phonon absorption and emission sidebands. Good agreement is found with experimental data on crystalline silicon. The effects of nonadiabaticity in the electron-phonon interaction are calculated.

Enhanced sensitivity to the time variation of the fine-structure constant and m{p}/m{e} in diatomic molecules.

PubMed

Flambaum, V V; Kozlov, M G

2007-10-12

Sensitivity to temporal variation of the fundamental constants may be strongly enhanced in transitions between narrow close levels of different nature. This enhancement may be realized in a large number of molecules due to cancellation between the ground state fine-structure omega{f} and vibrational interval omega{v} [omega=omega{f}-nomega{v} approximately 0, delta omega/omega=K(2delta alpha/alpha+0.5 delta mu/mu), K>1, mu=m{p}/m{e}]. The intervals between the levels are conveniently located in microwave frequency range and the level widths are very small. Required accuracy of the shift measurements is about 0.01-1 Hz. As examples, we consider molecules Cl(+)(2), CuS, IrC, SiBr, and HfF(+).

Shifts due to quantum-mechanical interference from distant neighboring resonances for saturated fluorescence spectroscopy of the 23S to 23P intervals of helium

NASA Astrophysics Data System (ADS)

Marsman, A.; Hessels, E. A.; Horbatsch, M.

2014-04-01

Quantum-mechanical interference with distant neighboring resonances is found to cause shifts for precision saturated fluorescence spectroscopy of the atomic helium 23S-to-23P transitions. The shifts are significant (larger than the experimental uncertainties for measurements of the intervals) despite the fact that the neighboring resonances are separated from the measured resonances by 1400 and 20000 natural widths. The shifts depend strongly on experimental parameters such as the angular position of the fluorescence detector, the intensity and size of laser beams, and the properties of the atomic beam. These shifts must be considered for the ongoing program of determining the fine-structure constant from the helium 23P fine structure.

An x-ray absorption spectroscopy study of Ni-Mn-Ga shape memory alloys.

PubMed

Sathe, V G; Dubey, Aditi; Banik, Soma; Barman, S R; Olivi, L

2013-01-30

The austenite to martensite phase transition in Ni-Mn-Ga ferromagnetic shape memory alloys was studied by extended x-ray absorption fine structure (EXAFS) and x-ray absorption near-edge structure (XANES) spectroscopy. The spectra at all the three elements', namely, Mn, Ga and Ni, K-edges in several Ni-Mn-Ga samples (with both Ni and Mn excess) were analyzed at room temperature and low temperatures. The EXAFS analysis suggested a displacement of Mn and Ga atoms in opposite direction with respect to the Ni atoms when the compound transforms from the austenite phase to the martensite phase. The first coordination distances around the Mn and Ga atoms remained undisturbed on transition, while the second and subsequent shells showed dramatic changes indicating the presence of a modulated structure. The Mn rich compounds showed the presence of antisite disorder of Mn and Ga. The XANES results showed remarkable changes in the unoccupied partial density of states corresponding to Mn and Ni, while the electronic structure of Ga remained unperturbed across the martensite transition. The post-edge features in the Mn K-edge XANES spectra changed from a double peak like structure to a flat peak like structure upon phase transition. The study establishes strong correlation between the crystal structure and the unoccupied electronic structure in these shape memory alloys.

Oscillator Strengths of Allowed and Intercombination Transitions in Neutral Sulfur

NASA Technical Reports Server (NTRS)

Tayal, S. S.

1998-01-01

We have calculated oscillator strengths and transition probabilities of electric-dipole allowed and intercombination transitions from fine-structure levels of the ground 3s(sup 2)3p(sup 4) configuration to the levels belonging to configurations 3s(sup 2)3p(sup 3)4s, 3s(sup 2) 3p(sup 3)5s, 3(sup 2)3p(sup 3)3d, 3s(sup 2)3p(sup 3)4d of neutral sulfur. Extensive configuration-interaction wave functions are used to represent these levels. The relativistic corrections have been included through the Breit-Pauli Hamiltonian. The results are compared with previous theoretical calculations and with measurements.

Jet-cooled laser-induced fluorescence spectroscopy of cyclohexoxy: rotational and fine structure of molecules in nearly degenerate electronic States.

PubMed

Liu, Jinjun; Miller, Terry A

2014-12-26

The rotational structure of the previously observed B̃(2)A' ← X̃(2)A″ and B̃(2)A' ← Ã(2)A' laser-induced fluorescence spectra of jet-cooled cyclohexoxy radical (c-C6H11O) [ Zu, L.; Liu, J.; Tarczay, G.; Dupré, P; Miller, T. A. Jet-cooled laser spectroscopy of the cyclohexoxy radical. J. Chem. Phys. 2004 , 120 , 10579 ] has been analyzed and simulated using a spectroscopic model that includes the coupling between the nearly degenerate X̃ and à states separated by ΔE. The rotational and fine structure of these two states is reproduced by a 2-fold model using one set of molecular constants including rotational constants, spin-rotation constants (ε's), the Coriolis constant (Aζt), the quenched spin-orbit constant (aζed), and the vibronic energy separation between the two states (ΔE0). The energy level structure of both states can also be reproduced using an isolated-state asymmetric top model with rotational constants and effective spin-rotation constants (ε's) and without involving Coriolis and spin-orbit constants. However, the spin-orbit interaction introduces transitions that have no intensity using the isolated-state model but appear in the observed spectra. The line intensities are well simulated using the 2-fold model with an out-of-plane (b-) transition dipole moment for the B̃ ← X̃ transitions and in-plane (a and c) transition dipole moment for the B̃ ← à transitions, requiring the symmetry for the X̃ (Ã) state to be A″ (A'), which is consistent with a previous determination and opposite to that of isopropoxy, the smallest secondary alkoxy radical. The experimentally determined Ã-X̃ separation and the energy level ordering of these two states with different (A' and A″) symmetries are consistent with quantum chemical calculations. The 2-fold model also enables the independent determination of the two contributions to the Ã-X̃ separation: the relativistic spin-orbit interaction (magnetic effect) and the nonrelativistic vibronic separation between the lowest vibrational energy levels of these two states due to both electrostatic interaction (Coulombic effect) and difference in zero-point energies (kinetic effect).

Implications of a fossil stickleback assemblage for Darwinian gradualism.

PubMed

Bell, M A

2009-11-01

Darwin postulated that a complete fossil record would contain numerous gradual transitions between ancestral and descendant species, but 150 years after publication of The Origin of Species, few such transitions have materialized. The fossil stickleback Gasterosteus doryssus and the deposit in which it occurs provide excellent conditions to detect such transitions. Abundant, well-preserved fossils occur in a stratigraphic setting with fine temporal resolution. The paleoecology of G. doryssus resembles the ecology of modern lakes that harbour the phenotypically similar three-spined stickleback Gasterosteus aculeatus. Gasterosteus aculeatus are primitively highly armoured, but G. doryssus comprised two contemporaneous biological species with relatively weak armour, including a near-shore, benthic feeder (benthic) and an offshore planktivore (limnetic). The benthic species expanded its range into the limnetic zone of the lake, where it apparently switched to planktivory and evolved reduced armour within c. 5000 years in response to directional selection. Although gradual evolution of mean phenotypes occurred, a single major gene caused much of evolutionary change of the pelvic skeleton. Thus, Darwin's expectation that transitions between species in the fossil record would be gradual was met at a fine time scale, but for pelvic structure, a well-studied trait, his expectation that gradual change would depend entirely on numerous, small, heritable differences among individuals was incorrect.

Vortical structures of supersonic flow over a delta-wing on a flat plate

NASA Astrophysics Data System (ADS)

Wang, D. P.; Xia, Z. X.; Zhao, Y. X.; Wang, Q. H.; Liu, B.

2013-02-01

Employing the nanoparticle-based planar laser scattering (NPLS), supersonic flow over a delta-winged vortex generator on a flat plate was experimentally investigated in a supersonic quiet wind tunnel at Ma = 2.68. The fine structures of the flow field, shock waves, separation vortices, wake, and boundary layer transition were observed in the NPLS images. According to the time-correlation of the NPLS images and the measurement results of particle image velocimetry, the structural model of the flow field was improved further, and coherent wake structures were observed, which is of significance theoretically and in engineering application.

Preliminary results for a higher-precision measurement of the helium n=2 triplet P fine structure

NASA Astrophysics Data System (ADS)

Kato, K.; Skinner, T. D. G.; George, M. C.; Fitzakerley, D. W.; Vutha, A. C.; Storry, C. H.; Bezginov, N.; Valdez, T.; Hessels, E. A.

2017-04-01

Preliminary results for a higher-precision measurement of the n=2 triplet P J=1 to J=2 fine-structure interval in atomic helium are presented. A beam of metastable helium atoms is created in a liquid-nitrogen-cooled dc-discharge source, and is intensified using a 2D-MOT. These atoms are excited to the 2 triplet P state, and undergo a frequency-offset separated-oscillatory-field (FOSOF) microwave experiment. Only atoms which undergo a microwave transition, in the time-separated microwave fields are laser-excited to a Rydberg state and then Stark ionized and counted. Our new experimental design has eliminated the major systematic effects of previous experiments, and has led to a substantial improvement in the signal-to-noise ratio of the collected data. Our final improved measurement (with an expected uncertainty of less than 100 Hz) will allow for a test of 2-electron QED-theory in the helium n=2 triplet P system, and will be an important step towards obtaining a precise determination of the fine-structure constant. This research is supported by NSERC, CRC, CFI and NIST.

Halogenated Alkyltetrazoles for the Rational Design of FeII Spin-Crossover Materials: Fine-Tuning of the Ligand Size.

PubMed

Müller, Danny; Knoll, Christian; Seifried, Marco; Welch, Jan M; Giester, Gerald; Reissner, Michael; Weinberger, Peter

2018-04-06

1-(3-Halopropyl)-1H-tetrazoles and their corresponding Fe II spin-crossover complexes have been investigated in a combined experimental and theoretical study. Halogen substitution was found to positively influence the spin transition, shifting the transition temperature about 70 K towards room temperature. Halogens located at the ω position were found to be too far away from the coordinating tetrazole moiety to have an electronic impact on the spin transition. The subtle variation of the steric demand of the ligand in a highly comparable series was found to have a comparatively large impact on the spin-transition behavior, which highlights the sensitivity of the effect to subtle structural changes. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Velocity modulation spectroscopy of molecular ions II: The millimeter/submillimeter-wave spectrum of TiF + ( X3Φr)

NASA Astrophysics Data System (ADS)

Halfen, D. T.; Ziurys, L. M.

2006-11-01

The pure rotational spectrum of the molecular ion TiF + in its 3Φr ground state has been measured in the range 327-542 GHz using millimeter-wave direct absorption techniques combined with velocity modulation spectroscopy. TiF + was made in an AC discharge from a mixture of TiCl 4, F 2 in He, and argon. Ten transitions of this ion were recorded. In every transition, fluorine hyperfine interactions, as well as the fine structure splittings, were resolved. The fine structure pattern was found to be regular with almost equal spacing in frequency between the three spin components, in contrast to TiCl +, which is perturbed in the ground state. The data were fit with a case ( a) Hamiltonian and rotational, fine structure, and hyperfine constants were determined. The bond length established for TiF +, r0 = 1.7775 Å, was found to be shorter than that of TiF, r0 = 1.8342 Å—also established from mm-wave data. The hyperfine parameters determined are consistent with a δ1π1 electron configuration with the electrons primarily located on the titanium nucleus. The nuclear spin-orbit constant a indicates that the unpaired electrons are closer to the fluorine nucleus in TiF + relative to TiF, as expected with the decrease in bond length for the ion. The shorter bond distance is thought to arise from increased charge on the titanium nucleus as a result of a Ti 2+F - configuration. A similar decrease in bond length was found for TiCl + relative to TiCl.

Herschel Galactic Plane Survey of [NII] Fine Structure Emission

NASA Astrophysics Data System (ADS)

Goldsmith, Paul F.; Yıldız, Umut A.; Langer, William D.; Pineda, Jorge L.

2015-12-01

We present the first large-scale high angular resolution survey of ionized nitrogen in the Galactic Plane through emission of its two fine structure transitions ([N ii]) at 122 and 205 μm. The observations were largely obtained with the PACS instrument onboard the Herschel Space Observatory. The lines of sight were in the Galactic plane, following those of the Herschel OTKP project GOT C+. Both lines are reliably detected at the 10-8-10-7 Wm-2 sr-1 level over the range -60° ≤ l ≤ 60°. The rms of the intensity among the 25 PACS spaxels of a given pointing is typically less than one third of the mean intensity, showing that the emission is extended. [N ii] is produced in gas in which hydrogen is ionized, and collisional excitation is by electrons. The ratio of the two fine structure transitions provides a direct measurement of the electron density, yielding n(e) largely in the range 10-50 cm-3 with an average value of 29 cm-3 and N+ column densities 1016-1017 cm-2. [N ii] emission is highly correlated with that of [C ii], and we calculate that between 1/3 and 1/2 of the [C ii] emission is associated with the ionized gas. The relatively high electron densities indicate that the source of the [N ii] emission is not the warm ionized medium (WIM), which has electron densities more than 100 times smaller. Possible origins of the observed [N ii] include the ionized surfaces of dense atomic and molecular clouds, the extended low-density envelopes of H ii regions, and low-filling factor high-density fluctuations of the WIM.

Spectral structure of the pygmy dipole resonance.

PubMed

Tonchev, A P; Hammond, S L; Kelley, J H; Kwan, E; Lenske, H; Rusev, G; Tornow, W; Tsoneva, N

2010-02-19

High-sensitivity studies of E1 and M1 transitions observed in the reaction 138Ba(gamma,gamma{'}) at energies below the one-neutron separation energy have been performed using the nearly monoenergetic and 100% linearly polarized photon beams of the HIgammaS facility. The electric dipole character of the so-called "pygmy" dipole resonance was experimentally verified for excitations from 4.0 to 8.6 MeV. The fine structure of the M1 "spin-flip" mode was observed for the first time in N=82 nuclei.

Role of mutual punishment in the snowdrift game

NASA Astrophysics Data System (ADS)

Yang, Han-Xin; Wang, Zhen

2015-09-01

The effects of punishment on cooperation have drawn increasing attention. In this paper, we propose a new mechanism of punishment, in which an individual will punish each neighbor if their strategies are different, and vice versa. We incorporate the mutual punishment into the snowdrift game. Results for well-mixed and structured populations have shown that, for no punishment or small values of punishment fine, the fraction of cooperators continuously decreases with the temptation to defect. However, for large values of punishment fine, there exists an abrupt transition point, at which the fraction of cooperators suddenly drops from 1 to 0. Compared to no punishment, mutual punishment promotes cooperation when the temptation to defect is small but inhibits cooperation when the temptation to defect is large. For weak (strong) temptation to defect, the cooperation level increases (decreases) with the punishment fine. For moderate temptation to defect, there exists an optimal value of the punishment fine that leads to the highest cooperation level.

Vertical electric field induced suppression of fine structure splitting of excited state excitons in a single GaAs/AlGaAs island quantum dots

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

Ghali, Mohsen; Laboratory of Nanophotonics, Physics Department, Faculty of Science, Kafrelsheikh University, 33516 Kafrelsheikh; Ohno, Yuzo

2015-09-21

We report experimentally on fine structure splitting (FSS) of various excitonic transitions in single GaAs island quantum dots, formed by a monolayer thickness fluctuation in the narrow GaAs/AlGaAs quantum well, and embedded in an n-i-Schottky diode device. By applying a forward vertical electric field (F) between the top metallic contact and the sample substrate, we observed an in-plane polarization rotation of both the ground and the excited state excitons with increasing the electric field. The polarization rotations were accompanied with a strong decrease in the FSS of the ground as well as the excited state excitons with the field, untilmore » the FSS vanished as F approached 30 kV/cm.« less

A study of nitrogen incorporation in pyramidal site-controlled quantum dots

PubMed Central

2011-01-01

We present the results of a study of nitrogen incorporation in metalorganic-vapour-phase epitaxy-grown site-controlled quantum dots (QDs). We report for the first time on a significant incorporation (approximately 0.3%), producing a noteworthy red shift (at least 50 meV) in some of our samples. Depending on the level of nitrogen incorporation/exposure, strong modifications of the optical features are found (variable distribution of the emission homogeneity, fine-structure splitting, few-particle effects). We discuss our results, especially in relation to a specific reproducible sample which has noticeable features: the usual pattern of the excitonic transitions is altered and the fine-structure splitting is suppressed to vanishing values. Distinctively, nitrogen incorporation can be achieved without detriment to the optical quality, as confirmed by narrow linewidths and photon correlation spectroscopy. PMID:22029752

Transition and Electron Impact Excitation Collision Rates for O III

NASA Astrophysics Data System (ADS)

Tayal, S. S.; Zatsarinny, O.

2017-12-01

Transition probabilities, electron excitation collision strengths, and rate coefficients for a large number of O III lines over a broad wavelength range, from the infrared to ultraviolet, have been reported. The collision strengths have been calculated in the close-coupling approximation using the B-spline Breit-Pauli R-matrix method. The multiconfiguration Hartree-Fock method in combination with B-spline expansions is employed for an accurate representation of the target wave functions. The close-coupling expansion contains 202 O2+ fine-structure levels of the 2{s}22{p}2,2s2{p}3, 2{p}4,2{s}22p3s,3p,3d, 4s,4p,4d,4f,5s, and 2s2{p}33s,3p,3d configurations. The effective collision strengths are obtained by averaging electron excitation collision strengths over a Maxwellian distribution of velocities at electron temperatures ranging from 100 to 100,000 K. The calculated effective collision strengths have been reported for the 20,302 transitions between all 202 fine-structure levels. There is an overall good agreement with the recent R-matrix calculations by Storey et al. for the transitions between all levels of the ground 2{s}22{p}2 configuration, but significant discrepancies have been found with Palay et al. for transitions to the 2{s}22{p}2 1 S 0 level. Line intensity ratios between the optical lines arising from the 2{s}22{p}2{}3{P}{0,1,2} - 1 D 2 transitions have been compared with other calculations and observations from the photoionized gaseous nebulae, and good agreement is found. The present calculations provide the most complete and accurate data sets, which should allow a more detailed treatment of the available measured spectra from different ground and space observatories.

Insights into the Effects of Zinc Doping on Structural Phase Transition of P2-Type Sodium Nickel Manganese Oxide Cathodes for High-Energy Sodium Ion Batteries.

PubMed

Wu, Xuehang; Xu, Gui-Liang; Zhong, Guiming; Gong, Zhengliang; McDonald, Matthew J; Zheng, Shiyao; Fu, Riqiang; Chen, Zonghai; Amine, Khalil; Yang, Yong

2016-08-31

P2-type sodium nickel manganese oxide-based cathode materials with higher energy densities are prime candidates for applications in rechargeable sodium ion batteries. A systematic study combining in situ high energy X-ray diffraction (HEXRD), ex situ X-ray absorption fine spectroscopy (XAFS), transmission electron microscopy (TEM), and solid-state nuclear magnetic resonance (SS-NMR) techniques was carried out to gain a deep insight into the structural evolution of P2-Na0.66Ni0.33-xZnxMn0.67O2 (x = 0, 0.07) during cycling. In situ HEXRD and ex situ TEM measurements indicate that an irreversible phase transition occurs upon sodium insertion-extraction of Na0.66Ni0.33Mn0.67O2. Zinc doping of this system results in a high structural reversibility. XAFS measurements indicate that both materials are almost completely dependent on the Ni(4+)/Ni(3+)/Ni(2+) redox couple to provide charge/discharge capacity. SS-NMR measurements indicate that both reversible and irreversible migration of transition metal ions into the sodium layer occurs in the material at the fully charged state. The irreversible migration of transition metal ions triggers a structural distortion, leading to the observed capacity and voltage fading. Our results allow a new understanding of the importance of improving the stability of transition metal layers.

A nanobuffer reporter library for fine-scale imaging and perturbation of endocytic organelles

PubMed Central

Wang, Chensu; Wang, Yiguang; Li, Yang; Bodemann, Brian; Zhao, Tian; Ma, Xinpeng; Huang, Gang; Hu, Zeping; DeBerardinis, Ralph J.; White, Michael A.; Gao, Jinming

2015-01-01

Endosomes, lysosomes and related catabolic organelles are a dynamic continuum of vacuolar structures that impact a number of cell physiological processes such as protein/lipid metabolism, nutrient sensing and cell survival. Here we develop a library of ultra-pH-sensitive fluorescent nanoparticles with chemical properties that allow fine-scale, multiplexed, spatio-temporal perturbation and quantification of catabolic organelle maturation at single organelle resolution to support quantitative investigation of these processes in living cells. Deployment in cells allows quantification of the proton accumulation rate in endosomes; illumination of previously unrecognized regulatory mechanisms coupling pH transitions to endosomal coat protein exchange; discovery of distinct pH thresholds required for mTORC1 activation by free amino acids versus proteins; broad-scale characterization of the consequence of endosomal pH transitions on cellular metabolomic profiles; and functionalization of a context-specific metabolic vulnerability in lung cancer cells. Together, these biological applications indicate the robustness and adaptability of this nanotechnology-enabled ‘detection and perturbation' strategy. PMID:26437053

X-ray Absorption and Emission Spectroscopy of CrIII (Hydr)Oxides: Analysis of the K-Pre-Edge Region

NASA Astrophysics Data System (ADS)

Frommer, Jakob; Nachtegaal, Maarten; Czekaj, Izabela; Weng, Tsu-Chien; Kretzschmar, Ruben

2009-10-01

Pre-edge spectral features below the main X-ray absorption K-edge of transition metals show a pronounced chemical sensitivity and are promising sources of structural information. Nevertheless, the use of pre-edge analysis in applied research is limited because of the lack of definite theoretical peak-assignments. The aim of this study was to determine the factors affecting the chromium K-pre-edge features in trivalent chromium-bearing oxides and oxyhydroxides. The selected phases varied in the degree of octahedral polymerization and the degree of iron-for-chromium substitution in the crystal structure. We investigated the pre-edge fine structure by means of high-energy-resolution fluorescence detected X-ray absorption spectroscopy and by 1s2p resonant X-ray emission spectroscopy. Multiplet theory and full multiple-scattering calculations were used to analyze the experimental data. We show that the chromium K-pre-edge contains localized and nonlocalized transitions. Contributions arising from nonlocalized metal-metal transitions are sensitive to the nearest metal type and to the linkage mode between neighboring metal octahedra. Analyzing these transitions opens up new opportunities for investigating the local coordination environment of chromium in poorly ordered solids of environmental relevance.

Structural change and charge ordering correlated ultrasonic anomalies in La1-xCaxMnO3 (x=0.5,0.83) perovskite

NASA Astrophysics Data System (ADS)

Zheng, R. K.; Zhu, C. F.; Xie, J. Q.; Li, X. G.

2001-01-01

Ultrasonic sound velocity and attenuation have been measured in polycrystalline manganese oxide La1-xCaxMnO3 (x=0.5,0.83,1.0) at a frequency of 10 MHz. For x=0.5, on cooling down from high temperature, a slight softening of the sound velocity above the charge ordering transition temperature TCO and dramatic stiffening below TCO coincided with big attenuation peaks for both longitudinal and transverse waves were observed. It was found that these ultrasonic anomalies near TCO are correlated with the fine structure (i.e., the lattice parameters) change caused by the Jahn-Teller effect. For x=0.83, the sound velocity starts to soften dramatically with decreasing temperature from higher temperature to TS (180 K), and stiffens dramatically below TS. The large softening and stiffening of the sound velocity accompanied by a big attenuation peak are strongly correlated with a cubic-to-tetragonal structural phase transition at TS, which is confirmed by the low-temperature powder x-ray diffraction measurements. It is suggested that this structural phase transition be due to the Jahn-Teller distortion of the Mn3+O6 octahedra and related to the charge ordering transition. For CaMnO3, the anomaly in sound velocity is small.

Scrutinizing Al-like 10+51V, 11+53Cr, 12+55Mn, 13+57Fe, 14+59Co, 15+61Ni, and 16+63Cu 1ions for atomic clocks with uncertainties below the 10-19 level

NASA Astrophysics Data System (ADS)

Yu, Yan-mei; Sahoo, B. K.

2016-12-01

We investigate the transition between the fine structure levels of the ground state, 3 p 2P1 /2→3 p 2P3 /2 , of the highly charged Al-like 10+51V, 11+53Cr, 12+55Mn, 13+57Fe, 14+59Co, 15+61Ni, and 16+63Cu ions for frequency standards. To comprehend them as prospective atomic clocks, we determine their transition wavelengths, quality factors, and various plausible systematics during the measurements. Since most of these ions have nuclear spin I =3 /2 , uncertainties due to dominant quadrupole shifts can be evaded in the F =0 hyperfine level of the 3 p 2P3 /2 state. Other dominant systematics such as quadratic Stark and black-body radiation shifts have been evaluated precisely demonstrating the feasibility of achieving high accuracy, below 10-19 fractional uncertainty, atomic clocks using the above transitions. Moreover, relativistic sensitivity coefficients are determined to find out the aptness of these proposed clocks to investigate possible temporal variation of the fine structure constant. To carry out these analysis, a relativistic coupled-cluster method considering Dirac-Coulomb-Breit Hamiltonian along with lower-order quantum electrodynamics interactions is employed and many spectroscopic properties are evaluated. These properties are also of immense interest for astrophysical studies.

Solar system history as recorded in the Saturnian ring structure

NASA Technical Reports Server (NTRS)

Alfven, H.

1983-01-01

Holberg's analysis of the Voyager Saturn photographs in reflected and transparent light, and occultation data of stars seen through the rings are discussed. A hyperfine structure with 10,000 ringlets can be explained by the Baxter-Thompson negative diffusion. This gives the ringlets a stability which makes it possible to interpret them as fossils which originated at cosmogonic times. It is shown that the bulk structure can be explained by the combined cosmogonic shadows of the satellites Mimas and Janus and the Shepherd satellites. This structure originated at the transition from the plasma phase to the planetesimal phase. The shadows are not simple void regions but exhibit a characteristic signature. Parts of the fine structure, explained by Holberg as resonances with satellites, are interpreted as cosmogonic shadow effects. However, there are a number of ringlets which can neither be explained by cosmogonic nor by resonance effects. Analysis of ring data can reconstruct the plasma-planetesimal transition with an accuracy of a few percent. Previously announced in STAR as N84-12013

Solar system history as recorded in the Saturnian ring structure

NASA Technical Reports Server (NTRS)

Alfven, H.

1983-01-01

Holberg's analysis of the Voyager Saturn photographs in reflected and transparent light, and occultation data of stars seen through the rings are discussed. A hyperfine structure, with 10,000 ringlets can be explained by the Baxter-Thompson negative diffusion. This gives the ringlets a stability which makes it possible to interpret them as fossils, which originated at cosmogonic times. It is shown that the bulk structure can be explained by the combined cosmogonic shadows of the satellites Mimas, Janus and the Shepherd satellites. This structure originated at the transition from the plasma phase to the planetesimal phase. The shadows are not simple void regions but exhibit a characteristic signature. Parts of the fine structure, explained by Holberg as resonances with satellites, are interpreted as cosmogonic shadow effects. However, there are a number of ringlets which can neither be explained by cosmogonic nor by resonance effects. Analysis of ring data can reconstruct the plasma-planetesimal transition with an accuracy of a few percent.

Laminar-turbulent transition tripped by step on transonic compressor profile

NASA Astrophysics Data System (ADS)

Flaszynski, Pawel; Doerffer, Piotr; Szwaba, Ryszard; Piotrowicz, Michal; Kaczynski, Piotr

2018-02-01

The shock wave boundary layer interaction on the suction side of transonic compressor blade is one of the main objectives of TFAST project (Transition Location Effect on Shock Wave Boundary Layer Interaction). The experimental and numerical results for the flow structure investigations are shown for the flow conditions as the existing ones on the suction side of the compressor profile. The two cases are investigated: without and with boundary layer tripping device. In the first case, boundary layer is laminar up to the shock wave, while in the second case the boundary layer is tripped by the step. Numerical results carried out by means of Fine/Turbo Numeca with Explicit Algebraic Reynolds Stress Model including transition modeling are compared with schlieren, Temperature Sensitive Paint and wake measurements. Boundary layer transition location is detected by Temperature Sensitive Paint.

New Accurate Oscillator Strengths and Electron Excitation Collision Strengths for N I

NASA Astrophysics Data System (ADS)

Tayal, S. S.

2006-03-01

The nonorthogonal orbitals technique in a multiconfiguration Hartree-Fock approach is used to calculate oscillator strengths and transition probabilities of N I lines. The relativistic effects are allowed by means of Breit-Pauli operators. The length and velocity forms of oscillator strengths show good agreement for most transitions. The B-spline R-matrix with pseudostates approach has been used to calculate electron excitation collision strengths and rates. The nonorthogonal orbitals are used for an accurate description of both target wave functions and the R-matrix basis functions. The 24 spectroscopic bound and autoionizing states together with 15 pseudostates are included in the close-coupling expansion. The collision strengths for transitions between fine-structure levels are calculated by transforming the LS-coupled K-matrices to K-matrices in an intermediate coupling scheme. Thermally averaged collision strengths have been determined by integrating collision strengths over a Maxwellian distribution of electron energies over a temperature range suitable for the modeling of astrophysical plasmas. The oscillator strengths and thermally averaged collision strengths are presented for transitions between the fine-structure levels of the 2s22p3 4So, 2Do, 2Po, 2s2p4 4P, 2s22p23s 4P, and 2P terms and from these levels to the levels of the 2s22p23p 2So, 4Do, 4Po, 4So, 2Do, 2Po, 2s22p23s 2D, 2s22p24s 4P, 2P, 2s22p23d 2P, 4F, 2F, 4P, 4D, and 2D terms. Thermally averaged collision strengths are tabulated over a temperature range from 500 to 50,000 K.

Terahertz Spectroscopy of CrH (X 6Σ+) and AlH (X 1Σ+)

NASA Astrophysics Data System (ADS)

Halfen, D. T.; Ziurys, L. M.

2016-12-01

New laboratory measurements of hydrides have been carried out using terahertz direct absorption spectroscopy. Spin components of the N=2≤ftarrow 1 transition of the free radical CrH (X 6Σ+) have been recorded in the range 730-734 GHz, as well as a new measurement of the J=2≤ftarrow 1 line of AlH (X 1Σ+) near 755 GHz. Both species were created in an AC discharge of H2, argon, and metal vapor. For CrH, the chromium source was Cr(CO)6, while AlH was produced from Al(CH3)3. The J=4.5≤ftarrow 3.5 and 3.5≤ftarrow 2.5 fine-structure components were recorded for CrH, each which consists of resolved proton hyperfine doublets. For AlH, the two main quadrupole components, F=4.5≤ftarrow 3.5 and 3.5≤ftarrow 2.5, of the J=2≤ftarrow 1 transition were observed as blended features. These data were analyzed with previous 1≤ftarrow 0 millimeter/submillimeter measurements with 6Σ and 1Σ Hamiltonians for chromium and aluminum hydrides, respectively, and rotational, fine-structure (CrH only), and hyperfine constants were derived. The new measurements have resulted in refined spectroscopic parameters for both species, as well as direct measurement of the respective 2≤ftarrow 1 rotational transitions. This work also resolves a 10 MHz discrepancy in the frequency of the AlH line. CrH and AlH have already been observed in the photospheres of stars via their electronic transitions. These data will facilitate their discovery at submillimeter/terahertz wavelengths in circumstellar envelopes and perhaps in diffuse clouds.

Coumaraz-2-on-4-ylidene: Ambiphilic N-heterocyclic Carbenes with a Fine-Tunable Electronic Structure.

PubMed

Song, Hayoung; Kim, Hyunho; Lee, Eunsung

2018-05-16

Herein, a coumaraz-2-on-4-ylidene (1) as a new example of ambiphilic N-heterocyclic carbenes with fine tunable electronic properties is reported. The N-carbamic and aryl groups on carbene carbon provide exceptionally high electrophilicity and nucleophilicity simultaneously to the carbene center, as evidenced by the 77Se NMR chemical shifts of their selenoketone derivatives and the CO stretching strengths of their rhodium carbonyl complexes. Since the precursors of 1 could be synthesized from various functionalized Schiff bases in a practical and scalable manner, the electronic properties of 1 can be fine-tuned in quantitative and predictable way using the Hammett σ constant of the functional groups on aryl ring. The facile electronic tuning capability of 1 may be further applicable to eliciting novel properties in main-group and transition metal chemistry. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Remote sensing, geographical information systems, and spatial modeling for analyzing public transit services

NASA Astrophysics Data System (ADS)

Wu, Changshan

Public transit service is a promising transportation mode because of its potential to address urban sustainability. Current ridership of public transit, however, is very low in most urban regions, particularly those in the United States. This woeful transit ridership can be attributed to many factors, among which poor service quality is key. Given this, there is a need for transit planning and analysis to improve service quality. Traditionally, spatially aggregate data are utilized in transit analysis and planning. Examples include data associated with the census, zip codes, states, etc. Few studies, however, address the influences of spatially aggregate data on transit planning results. In this research, previous studies in transit planning that use spatially aggregate data are reviewed. Next, problems associated with the utilization of aggregate data, the so-called modifiable areal unit problem (MAUP), are detailed and the need for fine resolution data to support public transit planning is argued. Fine resolution data is generated using intelligent interpolation techniques with the help of remote sensing imagery. In particular, impervious surface fraction, an important socio-economic indicator, is estimated through a fully constrained linear spectral mixture model using Landsat Enhanced Thematic Mapper Plus (ETM+) data within the metropolitan area of Columbus, Ohio in the United States. Four endmembers, low albedo, high albedo, vegetation, and soil are selected to model heterogeneous urban land cover. Impervious surface fraction is estimated by analyzing low and high albedo endmembers. With the derived impervious surface fraction, three spatial interpolation methods, spatial regression, dasymetric mapping, and cokriging, are developed to interpolate detailed population density. Results suggest that cokriging applied to impervious surface is a better alternative for estimating fine resolution population density. With the derived fine resolution data, a multiple route maximal covering/shortest path (MRMCSP) model is proposed to address the tradeoff between public transit service quality and access coverage in an established bus-based transit system. Results show that it is possible to improve current transit service quality by eliminating redundant or underutilized service stops. This research illustrates that fine resolution data can be efficiently generated to support urban planning, management and analysis. Further, this detailed data may necessitate the development of new spatial optimization models for use in analysis.

Onset of runaway nucleation in aerosol reactors

NASA Technical Reports Server (NTRS)

Wu, Jin Jwang; Flagan, Richard C.

1987-01-01

The onset of homogeneous nucleation of new particles from the products of gas phase chemical reactions was explored using an aerosol reactor in which seed particles of silicon were grown by silane pyrolysis. The transition from seed growth by cluster deposition to catastrophic nucleation was extremely abrupt, with as little as a 17 percent change in the reactant concentration leading to an increase in the concentration of measurable particles of four orders of magnitude. From the structure of the particles grown near this transition, it is apparent that much of the growth occurs by the accumulation of clusters on the growing seed particles. The time scale for cluster diffusion indicates, however, that the clusters responsible for growth must be much smaller than the apparent fine structure of the product particles.

Homogeneity of Pb(Zr ,Ti)O3 thin films by chemical solution deposition: Extended x-ray absorption fine structure spectroscopy study of zirconium local environment

NASA Astrophysics Data System (ADS)

Malic, Barbara; Arcon, Iztok; Kodre, Alojz; Kosec, Marija

2006-09-01

Sols for Pb(Zr0.53Ti0.47)O3 (PZT) thin films were prepared by 2-methoxyethanol route from lead acetate, titanium n-propoxide, and zirconium n-propoxide, the latter either unmodified or modified with acetylacetone or acetic acid in a 2/1 molar ratio and deposited on sapphire (0001). By Zr K-edge extended x-ray absorption fine structure (EXAFS) spectroscopy, the structural changes in the Zr local environment, induced by the addition of the two modifiers, were followed from the synthesis of the PZT sol to the transition to the amorphous film. In the unmodified PZT sol segregation of Zr species occurs from the original dimers present in the Zr propoxide solution in 2-methoxyethanol. The immediate neighborhood of Zr atoms changes markedly at the transition from the sol to the amorphous film: the local structure around Zr atoms is similar to the one found in tetragonal zirconia particles. The modification of Zr propoxide with acetylacetone in 2-methoxyethanol results in Zr monomers. In PZT sol, clustering of Zr species is observed continuing into the amorphous film. By modification with acetic acid the original dimeric structure of the Zr precursor is retained in the PZT sol and further in the amorphous film. Selective modification of Zr propoxide with acetic acid therefore results in a more homogeneous distribution of Zr atoms in the PZT sol and amorphous film than in both as-received and acetylacetone-modified Zr propoxide.

Local structures around the substituted elements in mixed layered oxides

PubMed Central

Akama, Shota; Kobayashi, Wataru; Amaha, Kaoru; Niwa, Hideharu; Nitani, Hiroaki; Moritomo, Yutaka

2017-01-01

The chemical substitution of a transition metal (M) is an effective method to improve the functionality of a material, such as its electrochemical, magnetic, and dielectric properties. The substitution, however, causes local lattice distortion because the difference in the ionic radius (r) modifies the local interatomic distances. Here, we systematically investigated the local structures in the pure (x = 0.0) and mixed (x = 0.05 or 0.1) layered oxides, Na(M1−xM′x)O2 (M and M′ are the majority and minority transition metals, respectively), by means of extended X-ray absorption fine structure (EXAFS) analysis. We found that the local interatomic distance (dM-O) around the minority element approaches that around the majority element to reduces the local lattice distortion. We further found that the valence of the minority Mn changes so that its ionic radius approaches that of the majority M. PMID:28252008

Pulse-based electron spin transient nutation measurement of BaTiO3 fine particle: Identification of controversial signal around g = 2.00

NASA Astrophysics Data System (ADS)

Sawai, Takatoshi; Yamaguchi, Yoji; Kitamura, Noriko; Date, Tomotsugu; Konishi, Shinya; Taga, Kazuya; Tanaka, Katsuhisa

2018-05-01

Two dimensional pulse-based electron spin transient nutation (2D-ESTN) spectroscopy is a powerful tool for determining the spin quantum number and has been applied to BaTiO3 fine powder in order to identify the origin of the continuous wave electron spin resonance (CW-ESR) signal around g = 2.00. The signal is frequently observed in BaTiO3 ceramics, and the correlation between the signal intensity and positive temperature coefficient of resistivity (PTCR) properties has been reported to date. The CW-ESR spectrum of BaTiO3 fine particles synthesized by the sol-gel method shows a typical asymmetric signal at g = 2.004. The 2D-ESTN measurements of the sample clearly reveal that the signal belongs to the S = 5/2 high spin state, indicating that the signal is not due to a point defect as suggested by a number of researchers but rather to a transition metal ion. Our elemental analysis, as well as previous studies, indicates that the origin of the g = 2.004 signal is due to the presence of an Fe3+ impurity. The D value (second-order fine structure parameter) reveals that the origin of the signal is an Fe3+ center with distant charge compensation. In addition, we show a peculiar temperature dependence of the CW-ESR spectrum, suggesting that the phase transition behavior of a BaTiO3 fine particle is quite different from that of a bulk single crystal. Our identification does not contradict a vacancy-mediated mechanism for PTCR. However, it is incorrect to use the signal at g = 2.00 as evidence to support the vacancy-mediated mechanism.

Shifts due to quantum-mechanical interference from distant neighboring resonances for saturated fluorescence spectroscopy

NASA Astrophysics Data System (ADS)

Marsman, Alain; Horbatsch, Marko; Hessels, Eric A.

2014-05-01

Quantum-mechanical interference with distant neighboring resonances is found to cause shifts for precision saturated fluorescence spectroscopy of the atomic helium 23 S -to- 23 P transitions. The shifts are significant (larger than the experimental uncertainties for measurements of the intervals) despite the fact that the neighboring resonances are separated from the measured resonances by 1400 and 20 000 natural widths. The shifts depend strongly on experimental parameters such as the angular position of the fluorescence detector and the intensity and size of laser beams. These shifts must be considered for the ongoing program of determining the fine-structure constant from the helium 23 P fine structure. The work represents the first study of such interference shifts for saturated fluorescence spectroscopy and follows up on our previous study of similar shifts for laser spectroscopy. This work is supported by NSERC, CRC, ORF, CFI, NIST and SHARCNET.

Local structural effects in Sr 3NiRhO 6 across magnetic transitions

DOE PAGES

Singh, Navneet; Khalid, S.; Bindu, R.

2016-04-06

Here, we investigate the temperature dependence of the structural parameters of quasi-one-dimensional Sr 3NiRhO 6 across the region of magnetic phase transitions using Ni K-edge and Sr K-edge x-ray absorption spectroscopy (XAS). The features in the x-ray absorption near-edge region are identified using multiple scattering calculations. The temperature-dependent extended x-ray absorption fine structure (EXAFS) studies show that the setting of the intra-chain super exchange interaction starts at ~200 K, which is well above the first transition temperature (45 K) revealed by magnetic susceptibility studies. The onset of the inter-chain super–super exchange interaction appears to be at ~125 K. Interestingly, themore » role played by direct exchange interaction between the Ni 3d and Rh 4d states in stabilising the magnetic interaction is less significant. The present results shed light on the generic features exhibited by isostructural compounds and may help in identifying the magnetic exchange pathways useful for understanding the unusual properties exhibited by such compounds.« less

Robust Population Inversion by Polarization Selective Pulsed Excitation

PubMed Central

Mantei, D.; Förstner, J.; Gordon, S.; Leier, Y. A.; Rai, A. K.; Reuter, D.; Wieck, A. D.; Zrenner, A.

2015-01-01

The coherent state preparation and control of single quantum systems is an important prerequisite for the implementation of functional quantum devices. Prominent examples for such systems are semiconductor quantum dots, which exhibit a fine structure split single exciton state and a V-type three level structure, given by a common ground state and two distinguishable and separately excitable transitions. In this work we introduce a novel concept for the preparation of a robust inversion by the sequential excitation in a V-type system via distinguishable paths. PMID:26000910

Order parameters in lanthanum gallate lightly doped with manganese and paramagnetic resonance

NASA Astrophysics Data System (ADS)

Vazhenin, V. A.; Potapov, A. P.; Artyomov, M. Yu.; Guseva, V. B.

2010-09-01

The Cr3+ centers have been revealed, transitions at room temperature have been identified, and spin Hamiltonian parameters have been determined for the Cr3+ and Fe3+ triclinic centers in lanthanum gallate lightly doped with manganese. The principal axes of the fourth-rank fine-structure tensor for the Fe3+ triclinic centers have been established and used to determine the order parameters, i.e., the angles of rotation of oxygen octahedra of lanthanum gallate with respect to the perovskite structure. The order parameter in the rhombohedral phase has been estimated.

Dual-Level Method for Estimating Multistructural Partition Functions with Torsional Anharmonicity.

PubMed

Bao, Junwei Lucas; Xing, Lili; Truhlar, Donald G

2017-06-13

For molecules with multiple torsions, an accurate evaluation of the molecular partition function requires consideration of multiple structures and their torsional-potential anharmonicity. We previously developed a method called MS-T for this problem, and it requires an exhaustive conformational search with frequency calculations for all the distinguishable conformers; this can become expensive for molecules with a large number of torsions (and hence a large number of structures) if it is carried out with high-level methods. In the present work, we propose a cost-effective method to approximate the MS-T partition function when there are a large number of structures, and we test it on a transition state that has eight torsions. This new method is a dual-level method that combines an exhaustive conformer search carried out by a low-level electronic structure method (for instance, AM1, which is very inexpensive) and selected calculations with a higher-level electronic structure method (for example, density functional theory with a functional that is suitable for conformational analysis and thermochemistry). To provide a severe test of the new method, we consider a transition state structure that has 8 torsional degrees of freedom; this transition state structure is formed along one of the reaction pathways of the hydrogen abstraction reaction (at carbon-1) of ketohydroperoxide (KHP; its IUPAC name is 4-hydroperoxy-2-pentanone) by OH radical. We find that our proposed dual-level method is able to significantly reduce the computational cost for computing MS-T partition functions for this test case with a large number of torsions and with a large number of conformers because we carry out high-level calculations for only a fraction of the distinguishable conformers found by the low-level method. In the example studied here, the dual-level method with 40 high-level optimizations (1.8% of the number of optimizations in a coarse-grained full search and 0.13% of the number of optimizations in a fine-grained full search) reproduces the full calculation of the high-level partition function within a factor of 1.0 to 2.0 from 200 to 1000 K. The error in the dual-level method can be further reduced to factors of 0.6 to 1.1 over the whole temperature interval from 200 to 2400 K by optimizing 128 structures (5.9% of the number of optimizations in a fine-grained full search and 0.41% of the number of optimizations in a fine-grained full search). These factor-of-two or better errors are small compared to errors up to a factor of 1.0 × 10 3 if one neglects multistructural effects for the case under study.

A Simple Model for Fine Structure Transitions in Alkali-Metal Noble-Gas Collisions

DTIC Science & Technology

2015-03-01

63 33 Effect of Scaling the VRG(R) Radial Coupling Fit Parameter, V0, for KHe, KNe, and KAr...64 ix Figure Page 34 Effect of Scaling the VRG(R) Radial Coupling Fit Parameter, V0, for RbHe, RbNe, and...RbAr . . . . . . . . . . . . . . . . . . . . . . . . . 64 35 Effect of Scaling the VRG(R) Radial Coupling Fit Parameter, V0, for CsHe, CsNe, and CsAr

Fine-Structure Measurements of Oxygen A Band Absorbance for Estimating the Thermodynamic Average Temperature of the Earth's Atmosphere: An Experiment in Physical and Environmental Chemistry

ERIC Educational Resources Information Center

Myrick, M. L.; Greer, A. E.; Nieuwland, A.; Priore, R. J.; Scaffidi, J.; Andreatta, Daniele; Colavita, Paula

2006-01-01

The experiment describe the measures of the A band transitions of atmospheric oxygen, a rich series of rotation-electronic absorption lines falling in the deep red portion of the optical spectrum and clearly visible owing to attenuation of solar radiation. It combines pure physical chemistry with analytical and environmental science and provides a…

Laminar Flow in the Ocean Ekman Layer

NASA Astrophysics Data System (ADS)

Woods, J. T. H.

INTRODUCTION THE EFFECT OF A STABLE DENSITY GRADIENT THE FATAL FLAW FLOW VISUALIZATION THE DISCOVERY OF LAMINAR FLOW FINE STRUCTURE WAVE-INDUCED SHEAR INSTABILITY BILLOW TURBULENCE REVERSE TRANSITION REVISED PARADIGM ONE-DIMENSIONAL MODELLING OF THE UPPER OCEAN DIURNAL VARIATION BUOYANT CONVECTION BILLOW TURBULENCE IN THE DIURNAL THERMOCLINE CONSEQUENCES FOR THE EKMAN CURRENT PROFILE SOLAR RADIATION APPLICATIONS Slippery Seas of Acapulco Pollution Afternoon Effect in Sonar Patchiness Fisheries Climate DISCUSSION CONCLUSION REFERENCES

Imaging of Fine Shallow Structure Beneath the Longmenshan Fault Zone from Ambient Noise Tomography

NASA Astrophysics Data System (ADS)

Zhao, P.; Campillo, M.; Chen, J.; Liu, Q.

2016-12-01

Short period seismic ambient noise group velocity dispersion curve, obtained from cross correlation of vertical component of 57 stations around the Longmenshan fault zone deployed after the Wenchuan earthquake and continuously observed for 1 year, is used to inverse the S wave velocity structure of the top 25 km of the central to northern part of Longmenshan fault zone. A iterative correction method based on 3-D simulation is proposed to reduce the influence of elevation. After 7 times of correction, a fine shllow S-wave velocity structure comes out. The results show that (1) Velocity structure above 10 km keeps good consistency with the surface fault system around Longmenshan, and controls the deep extension features of most major faults. Below the depth of 15 km, the velocity structure presents cross tectonic frame work along both Longmenshan and Minshan. The complex structure may have affected the rupture process of the Wenchuan earthquake. (2) The depth velocity structure profiles give good constraint for the deep geometry of main faults. The characteristics of the high angle, listric, reverse structure of the Longmenshan faults is further confirmed by our results.(3) At southern part of the study area, low-velocity structure is found at about 20km depth beneath the Pengguan massif, which is related to the low velocity layer in the middle crust of Songpan-Ganzi block. This may be an evidence for the existence of brittle-ductile transition zone in southern part of the rupture zone of the Wenchuan earthquake at the depth around 22km. Our results show the great potential of short period ambient noise tomography with data from densepassive seismic array in the study of fine velocity structure and fault zone imaging.

Characterization of pH-sensitive molecular switches that trigger the structural transition of vesicular stomatitis virus glycoprotein from the postfusion state toward the prefusion state.

PubMed

Ferlin, Anna; Raux, Hélène; Baquero, Eduard; Lepault, Jean; Gaudin, Yves

2014-11-01

Vesicular stomatitis virus (VSV; the prototype rhabdovirus) fusion is triggered at low pH and mediated by glycoprotein G, which undergoes a low-pH-induced structural transition. A unique feature of rhabdovirus G is that its conformational change is reversible. This allows G to recover its native prefusion state at the viral surface after its transport through the acidic Golgi compartments. The crystal structures of G pre- and postfusion states have been elucidated, leading to the identification of several acidic amino acid residues, clustered in the postfusion trimer, as potential pH-sensitive switches controlling the transition back toward the prefusion state. We mutated these residues and produced a panel of single and double mutants whose fusion properties, conformational change characteristics, and ability to pseudotype a virus lacking the glycoprotein gene were assayed. Some of these mutations were also introduced in the genome of recombinant viruses which were further characterized. We show that D268, located in the segment consisting of residues 264 to 273, which refolds into postfusion helix F during G structural transition, is the major pH sensor while D274, D395, and D393 have additional contributions. Furthermore, a single passage of recombinant virus bearing the mutation D268L (which was demonstrated to stabilize the G postfusion state) resulted in a pseudorevertant with a compensatory second mutation, L271P. This revealed that the propensity of the segment of residues 264 to 273 to refold into helix F has to be finely tuned since either an increase (mutation D268L alone) or a decrease (mutation L271P alone) of this propensity is detrimental to the virus. Vesicular stomatitis virus enters cells via endocytosis. Endosome acidification induces a structural transition of its unique glycoprotein (G), which mediates fusion between viral and endosomal membranes. G conformational change is reversible upon increases in pH. This allows G to recover its native prefusion state at the viral surface after its transport through the acidic Golgi compartments. We mutated five acidic residues, proposed to be pH-sensitive switches controlling the structural transition back toward the prefusion state. Our results indicate that residue D268 is the major pH sensor, while other acidic residues have additional contributions, and reveal that the propensity of the segment consisting of residues 264 to 273 to adopt a helical conformation is finely regulated. This segment might be a good target for antiviral compounds. Copyright © 2014, American Society for Microbiology. All Rights Reserved.

Insights into the Effects of Zinc Doping on Structural Phase Transition of P2-Type Sodium Nickel Manganese Oxide Cathodes for High-Energy Sodium Ion Batteries

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

Wu, Xuehang; Xu, Gui-Liang; Zhong, Guiming

P2-type sodium nickel manganese oxide-based cathode materials with higher energy densities are prime candidates for applications in rechargeable sodium ion batteries. A systematic study combining in situ high energy X-ray diffraction (HEXRD), ex situ Xray absorption fine spectroscopy (XAFS), transmission electron microscopy (TEM), and solid-state nuclear magnetic resonance (SSNMR) techniques was carried out to gain a deep insight into the structural evolution of P2-Na 0.66Ni 0.33-xZn xMn 0.67O 2 (x = 0, 0.07) during cycling. In situ HEXRD and ex situ TEM measurements indicate that an irreversible phase transition occurs upon sodium insertion-extraction of Na 0.66Ni 0.33Mn 0.67O 2. Zincmore » doping of this system results in a high structural reversibility. XAFS measurements indicate that both materials are almost completely dependent on the Ni 4+/Ni 3+/ Ni 2+ redox couple to provide charge/discharge capacity. SS-NMR measurements indicate that both reversible and irreversible migration of transition metal ions into the sodium layer occurs in the material at the fully charged state. The irreversible migration of transition metal ions triggers a structural distortion, leading to the observed capacity and voltage fading. Our results allow a new understanding of the importance of improving the stability of transition metal layers.« less

The Manufacturing of High Porosity Iron with an Ultra-Fine Microstructure via Free Pressureless Spark Plasma Sintering

PubMed Central

Cui, Guodong; Wei, Xialu; Olevsky, Eugene A.; German, Randall M.; Chen, Junying

2016-01-01

High porosity (>40 vol %) iron specimens with micro- and nanoscale isotropic pores were fabricated by carrying out free pressureless spark plasma sintering (FPSPS) of submicron hollow Fe–N powders at 750 °C. Ultra-fine porous microstructures are obtained by imposing high heating rates during the preparation process. This specially designed approach not only avoids the extra procedures of adding and removing space holders during the formation of porous structures, but also triggers the continued phase transitions of the Fe–N system at relatively lower processing temperatures. The compressive strength and energy absorption characteristics of the FPSPS processed specimens are examined here to be correspondingly improved as a result of the refined microstructure. PMID:28773617

Soft x-ray absorption spectra of ilmenite family.

PubMed

Agui, A; Mizumaki, M; Saitoh, Y; Matsushita, T; Nakatani, T; Fukaya, A; Torikai, E

2001-03-01

We have carried out soft x-ray absorption spectroscopy to study the electronic structure of ilmenite family, such as MnTiO3, FeTiO3, and CoTiO3 at the soft x-ray beamline, BL23SU, at the SPring-8. The Ti and M L2,3 absorption spectra of MTiO3 (M=Mn, Fe, and Co) show spectra of Ti4+ and M2+ electron configurations, respectively. Except the Fe L2,3 spectrum, those spectra were understood within the O(h) symmetry around the transition metal ions. The Fe L3-edge spectrum clearly shows a doublet peak at the L3 edge, which is attributed to Fe2+ state, moreover the very high-resolution the L-edge spectra of transition metals show fine structures. The spectra of those ilmenites are compared.

Infrared laser spectroscopy of jet-cooled carbon clusters: structure of triplet C6

NASA Technical Reports Server (NTRS)

Hwang, H. J.; Van Orden, A.; Tanaka, K.; Kuo, E. W.; Heath, J. R.; Saykally, R. J.

1993-01-01

We report the first structural characterization of the triplet isomer of C6. Forty-one rovibrational/fine structure transitions in the nu 4(sigma u) antisymmetric stretch fundamental of the C6 cluster have been measured by diode laser absorption spectroscopy of a supersonic carbon cluster beam. The observed spectrum is characteristic of a centrosymmetric linear triplet state with cumulene-type bonding. The measured ground state rotational constant B0 = 0.048 479 (10)cm-1 and the effective bond length r(eff) = 1.2868 (1) angstroms are in good agreement with ab initio predictions for the linear triplet (3 sigma g-) state of C6.

Cyclic Spin Testing of Superalloy Disks With a Dual Grain Microstructure

NASA Technical Reports Server (NTRS)

Gayda, John; Kantzos, Pete

2005-01-01

An aggressive cyclic spin test program was run to verify the reliability of superalloy disks with a dual grain structure, fine grain bore and coarse grain rim, utilizing a disk design with web holes bisecting the grain size transition zone. Results of these tests were compared with conventional disks with uniform grain structures. Analysis of the test results indicated the cyclic performance of disks with a dual grain structure could be estimated to a level of accuracy which does not appear to prohibit the use of this technology in advanced gas turbine engines, although further refinement of lifing methodology is clearly warranted.

Roughness induced transition and heat transfer augmentation in hypersonic environments

NASA Astrophysics Data System (ADS)

Wassel, A. T.; Shih, W. C. L.; Courtney, J. F.

Boundary layer transition and surface heating distributions on graphite, fine weave carbon-carbon, and metallic nosetip materials were derived from surface temperature responses measured in nitrogen environments during both free-flight and track-guided testing in hypersonic environments. Innovative test procedures were developed, and heat transfer results were validated against established theory through experiments using a super-smooth tungsten model. Quantitative definitions of mean transition front locations were established by deriving heat flux distributions from measured temperatures, and comparisons made with existing nosetip transition correlations. Qualitative transition locations were inferred directly from temperature distributions to investigate preferred orientations on fine weave nosetips. Levels of roughness augmented heat transfer were generally shown to be below values predicted by state-of-the-art methods.

Direct Numerical Simulation of a Temporally Evolving Incompressible Plane Wake: Effect of Initial Conditions on Evolution and Topology

NASA Technical Reports Server (NTRS)

Sondergaard, R.; Cantwell, B.; Mansour, N.

1997-01-01

Direct numerical simulations have been used to examine the effect of the initial disturbance field on the development of three-dimensionality and the transition to turbulence in the incompressible plane wake. The simulations were performed using a new numerical method for solving the time-dependent, three-dimensional, incompressible Navier-Stokes equations in flows with one infinite and two periodic directions. The method uses standard Fast Fourier Transforms and is applicable to cases where the vorticity field is compact in the infinite direction. Initial disturbances fields examined were combinations of two-dimensional waves and symmetric pairs of 60 deg oblique waves at the fundamental, subharmonic, and sub-subharmonic wavelengths. The results of these simulations indicate that the presence of 60 deg disturbances at the subharmonic streamwise wavelength results in the development of strong coherent three-dimensional structures. The resulting strong three-dimensional rate-of-strain triggers the growth of intense fine scale motions. Wakes initiated with 60 deg disturbances at the fundamental streamwise wavelength develop weak coherent streamwise structures, and do not develop significant fine scale motions, even at high Reynolds numbers. The wakes which develop strong three-dimensional structures exhibit growth rates on par with experimentally observed turbulent plane wakes. Wakes which develop only weak three-dimensional structures exhibit significantly lower late time growth rates. Preliminary studies of wakes initiated with an oblique fundamental and a two-dimensional subharmonic, which develop asymmetric coherent oblique structures at the subharmonic wavelength, indicate that significant fine scale motions only develop if the resulting oblique structures are above an angle of approximately 45 deg.

Theory of Spin States of Quantum Dot Molecules

NASA Astrophysics Data System (ADS)

Ponomarev, I. V.; Reinecke, T. L.; Scheibner, M.; Stinaff, E. A.; Bracker, A. S.; Doty, M. F.; Gammon, D.; Korenev, V. L.

2007-04-01

The photoluminescence spectrum of an asymmetric pair of coupled InAs quantum dots in an applied electric field shows a rich pattern of level anticrossings, crossings and fine structure that can be understood as a superposition of charge and spin configurations. We present a theoretical model that provides a description of the energy positions and intensities of the optical transitions in exciton, biexciton and charged exciton states of coupled quantum dots molecules.

Fine structure of the transitional zone of the rat seminiferous tubule.

PubMed

Nykänen, M

1979-05-25

An electron microscopic study was made on the structure of the testicular transitional zone (TZ) in the adult rat. The TZ proper consists of modified Sertoli cellss, with only a few spermatogonia and macrophages, surrounding distally a very narrow lumen. The TZ Sertoli cells have nuclei with a somewhat coarser matrix and more peripheral heterochromatin than Sertoli cell nuclei of the nearby seminiferous tubules, and the electron density of the cytoplasm varies from cell to cell. Smooth endoplasmic reticulum is abundant, but usually there are also scattered ribosomal rosettes and an occasional profile of rough endoplasmic reticulum. Microtubules are very numerous in the columnar portion of the cell, and laminar structures seemingly joining the cell surfaces are sometimes seen. Lipid droplets and lysosmal structures are frequent cellular components in proximal TZ Sertoli cells. Empty intracellular vacuoles are abundant, sometimes arranged around areas of smooth endoplasmic reticulum. Occasionally, membrane-limited fine granules and vacuoles are seen within Sertoli cells and also in the TZ lumen, suggesting a possible secretory activity by these cells. The apical processes of the Sertoli cells form large vacuolar structures, and in the basal parts of the epithelium vacuoles with capillary-like appearance are frequently seen. Phagocytosis of germinal cells by the Sertoli cells occurs in the proximal region of the TZ. Round waste bodies in contact with the Sertoli cell apices protruding into the tubulus rectus, are also common. The tunica propria of the TZ is thickened and somewhat wrinkled, and in the proximal region the myoid cell layer loses its continuity and is replaced by fibroblasts. The epithelium of the tubulus rectus adjacent to the TZ consists of several overlapping epithelial cells. The typical junctional complexes between TZ Sertoli cells appear to be impermeable to the lanthanum tracer.

HERSCHEL GALACTIC PLANE SURVEY OF [N ii] FINE STRUCTURE EMISSION

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

Goldsmith, Paul F.; Yıldız, Umut A.; Langer, William D.

2015-12-01

We present the first large-scale high angular resolution survey of ionized nitrogen in the Galactic Plane through emission of its two fine structure transitions ([N ii]) at 122 and 205 μm. The observations were largely obtained with the PACS instrument onboard the Herschel Space Observatory. The lines of sight were in the Galactic plane, following those of the Herschel OTKP project GOT C+. Both lines are reliably detected at the 10{sup −8}–10{sup −7} Wm{sup −2} sr{sup −1} level over the range –60° ≤ l ≤ 60°. The rms of the intensity among the 25 PACS spaxels of a given pointingmore » is typically less than one third of the mean intensity, showing that the emission is extended. [N ii] is produced in gas in which hydrogen is ionized, and collisional excitation is by electrons. The ratio of the two fine structure transitions provides a direct measurement of the electron density, yielding n(e) largely in the range 10–50 cm{sup −3} with an average value of 29 cm{sup −3} and N{sup +} column densities 10{sup 16}–10{sup 17} cm{sup −2}. [N ii] emission is highly correlated with that of [C ii], and we calculate that between 1/3 and 1/2 of the [C ii] emission is associated with the ionized gas. The relatively high electron densities indicate that the source of the [N ii] emission is not the warm ionized medium (WIM), which has electron densities more than 100 times smaller. Possible origins of the observed [N ii] include the ionized surfaces of dense atomic and molecular clouds, the extended low-density envelopes of H ii regions, and low-filling factor high-density fluctuations of the WIM.« less

Fine and hyperfine collisional excitation of C6H by He

NASA Astrophysics Data System (ADS)

Walker, Kyle M.; Lique, François; Dawes, Richard

2018-01-01

Hydrogenated carbon chains have been detected in interstellar and circumstellar media and accurate modelling of their abundances requires collisional excitation rate coefficients with the most abundant species. Among them, the C6H molecule is one of the most abundant towards many lines of sight. Hence, we determined fine and hyperfine-resolved rate coefficients for the excitation of C6H(X2Π) due to collisions with He. We present the first interaction potential energy surface for the C6H-He system, obtained from highly correlated ab initio calculations and characterized by a large anisotropy due to the length of the molecule. We performed dynamical calculations for transitions among the first fine structure levels (up to J = 30.5) of both spin-orbit manifolds of C6H using the close-coupling method, and rate coefficients are determined for temperatures ranging from 5 to 100 K. The largest rate coefficients for even ΔJ transitions conserve parity, while parity-breaking rate coefficients are favoured for odd ΔJ. Spin-orbit changing rate coefficients are several orders of magnitude lower than transitions within a single manifold. State-to-state hyperfine-resolved cross-sections for the first levels (up to J = 13.5) in the Ω = 3/2 spin-orbit manifold are deduced using recoupling techniques. Rate coefficients are obtained and the propensity rule ΔJ = ΔF is seen. These new data will help determine the abundance of C6H in astrophysical environments such as cold dense molecular clouds, star-forming regions and circumstellar envelopes, and will help in the interpretation of the puzzling C6H-/C6H abundance ratios deduced from observations.

Structural, electronic, magnetic, and transport properties of the equiatomic quaternary Heusler alloy CoRhMnGe: Theory and experiment

NASA Astrophysics Data System (ADS)

Rani, Deepika; Enamullah, Suresh, K. G.; Yadav, A. K.; Jha, S. N.; Bhattacharyya, D.; Varma, Manoj Raama; Alam, Aftab

2017-11-01

In this work, we present structural, electronic, magnetic, mechanical, and transport properties of equiatomic quaternary Heusler alloy, CoRhMnGe, using theoretical and experimental techniques. A detailed structural analysis is performed using x-ray diffraction and extended x-ray absorption fine structure spectroscopy. The alloy is found to crystallize in Y -type structure having space group F 4 ¯3 m (no. 216). The ab initio simulation predicts half-metallic ferromagnetic characteristics leading to large spin polarization. The calculated magnetization is found to be in fair agreement with experiment as well as those predicted by the Slater-Pauling rule, which is a prerequisite for half-metallicity. The magnetic transition temperature (TC) is found to be ˜760 K. Measured electrical resistivity in the temperature range 2-400 K also gives an indication of half-metallic behavior. Effect of hydrostatic pressure on electronic structure, magnetic, and mechanical properties are investigated in detail. The alloy is found to preserve half-metallic characteristics up to 30.27 GPa, beyond which it transits to metallic phase. No magnetic phase transition is found to occur in the whole range of pressure. The system also satisfies the Born-Huang criteria for mechanical stability up to a limited range of pressure. All these properties make the CoRhMnGe alloy promising for spintronics devices.

Fine-tuning the Mott metal-insulator transition and critical charge carrier dynamics in molecular conductors

NASA Astrophysics Data System (ADS)

Müller, Jens; Hartmann, Benedikt; Sasaki, Takahiko

2017-12-01

The unique possibilities of fine-tuning their physical properties in the vicinity of the Mott metal-insulator transition make the quasi-two-dimensional organic charge-transfer salts ?-(BEDT-TTF)?X unprecedented model systems for studying the fundamentals of electron-electron correlations and the coupling between charge, spin and lattice degrees of freedom in reduced dimensions. The critical properties and the universality class of the Mott transition, however, are controversially debated for these materials, and information on the low-frequency dynamical properties of the correlated electrons is rather limited. By introducing fluctuation (noise) spectroscopy as a powerful new tool for studying the slow dynamics of charge carriers, in the past years we have been able to extract spectroscopic information on the coupling of charge carriers to the vibrational degrees of freedom of the crystal lattice. This is related to a glassy freezing of the BEDT-TTF molecules' ethylene end-group (EEG) rotations at elevated temperatures, which (i) results in a small amount of (intrinsic) disorder and (ii) crucially influences the ratio of bandwidth to on-site Coulomb repulsion (W / U) and therefore the samples' position in the phase diagram, i.e. the electronic ground state. The low-frequency resistance fluctuations show a dramatic enhancement and divergent behaviour when tuning the sample close to the critical point of the Mott transition, accompanied by a strong shift of spectral weight to low frequencies and the onset of non-Gaussian behaviour. This indicates the critical slowing down of the order-parameter (doublon density) fluctuations and suggests a collective dynamics of the correlated electrons. In order to enable detailed investigations of this hypothesis in future experiments, by exploiting the structural EEG relaxation, a 'warming cycle' protocol can be established that allows for fine-tuning the sample across the Mott transition and therefore precisely accessing the finite-temperature critical endpoint. We 'calibrate' this procedure by a comparison to pressure-tuning experiments on the same sample. This method will allow to map out the region of ergodicity breaking around the critical endpoint and its dependence on disorder.

Crossed-Beam Spectroscopy of Hydrogen: A New Value for the Rydberg Constant

NASA Astrophysics Data System (ADS)

Amin, S. R.; Caldwell, C. D.; Lichten, W.

1981-11-01

In a crossed laser-atomic beam experiment the wavelengths of the 2s-3p transitions are measured in H and D to a precision of one part in 109. Our value for the Rydberg constant is R∞=109 737.315 21(11) cm-1. The fine-structure splittings of the 3p states in H and D are 3249.8(8) and 3251.7(7) MHz, respectively; the isotope shifts for the 2s-3p12 and 2s-3p32 transitions are 124 260.7(7) and 124 262.6(7) MHz, respectively. Our results largely agree with previous, less precise experiments and with theory.

Defect propagation in one-, two-, and three-dimensional compounds doped by magnetic atoms

DOE PAGES

Furrer, A.; Podlesnyak, A.; Krämer, K. W.; ...

2014-10-29

Inelastic neutron scattering experiments were performed to study manganese(II) dimer excitations in the diluted one-, two-, and three-dimensional compounds CsMn xMg 1-xBr 3, K 2Mn xZn 1-xF 4, and KMn xZn 1-xF 3 (x≤0.10), respectively. The transitions from the ground-state singlet to the excited triplet, split into a doublet and a singlet due to the single-ion anisotropy, exhibit remarkable fine structures. These unusual features are attributed to local structural inhomogeneities induced by the dopant Mn atoms which act like lattice defects. Statistical models support the theoretically predicted decay of atomic displacements according to 1/r 2, 1/r, and constant (for three-,more » two-, and one-dimensional compounds, respectively) where r denotes the distance of the displaced atoms from the defect. In conclusion, the observed fine structures allow a direct determination of the local exchange interactions J, and the local intradimer distances R can be derived through the linear law dJ/dR.« less

Fine- and hyperfine-structure effects in molecular photoionization. II. Resonance-enhanced multiphoton ionization and hyperfine-selective generation of molecular cations

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

Germann, Matthias; Willitsch, Stefan, E-mail: stefan.willitsch@unibas.ch

2016-07-28

Resonance-enhanced multiphoton ionization (REMPI) is a widely used technique for studying molecular photoionization and producing molecular cations for spectroscopy and dynamics studies. Here, we present a model for describing hyperfine-structure effects in the REMPI process and for predicting hyperfine populations in molecular ions produced by this method. This model is a generalization of our model for fine- and hyperfine-structure effects in one-photon ionization of molecules presented in Paper I [M. Germann and S. Willitsch, J. Chem. Phys. 145, 044314 (2016)]. This generalization is achieved by covering two main aspects: (1) treatment of the neutral bound-bound transition including the hyperfine structuremore » that makes up the first step of the REMPI process and (2) modification of our ionization model to account for anisotropic populations resulting from this first excitation step. Our findings may be used for analyzing results from experiments with molecular ions produced by REMPI and may serve as a theoretical background for hyperfine-selective ionization experiments.« less

Effective collision strengths for fine-structure forbidden transitions among the 3s^23p^3 levels of K V

NASA Astrophysics Data System (ADS)

Bell, Kenneth; Wilson, Nigel

2001-05-01

Electron temperatures and densities are difficult to determine in many astrophysical plasmas. However, it is well known that diagnostics on forbidden line intensity ratios for ions in the phosphorous isoelectronic sequence are of great importance in astrophysics, particularly for nebulae. A key element in the analysis is highly accurate atomic data. In this work we extend the earlier calculations of Butler, Zeippen and Le Bourlot (Astron. Astrophys. 203 189 (1988)) on electron scattering by K v. We have obtained effective collision strengths for a wide range of electron temperatures using the R-matrix method. Twenty-two LS target eigenstates are included in the expansion of the total wavefunction, consisting of the seven n=3 states with configuration 3s^23p^3 and 3s3p^4, twelve n=3 states with configuration 3s^23p^23d, and three n=4 states with configuration 3s^23p^24s. The fine-structure collision strengths have been obtained by transforming to a jj-coupling scheme using the JAJOM program of Saraph (Comp. Phys. Commun. 15 247 (1978)) and have been determined at a sufficiently fine energy mesh to delineate properly the resonance structure. Results for both collision strengths and for effective collision strengths will be presented at the conference and comparison will be made with the earlier work.

Unexpectedly large difference of the electron density at the nucleus in the 4p ^2{P}_{{1}/{2},{3}/{2}} fine-structure doublet of Ca^+

NASA Astrophysics Data System (ADS)

Shi, C.; Gebert, F.; Gorges, C.; Kaufmann, S.; Nörtershäuser, W.; Sahoo, B. K.; Surzhykov, A.; Yerokhin, V. A.; Berengut, J. C.; Wolf, F.; Heip, J. C.; Schmidt, P. O.

2017-01-01

We measured the isotope shift in the ^2{S}_{{1}/{2}} → ^2{P}_{{3}/{2}} (D2) transition in singly ionized calcium ions using photon recoil spectroscopy. The high accuracy of the technique enables us to compare the difference between the isotope shifts of this transition to the previously measured isotopic shifts of the ^2{S}_{{1}/{2}} → ^2{P}_{{1}/{2}} (D1) line. This so-called splitting isotope shift is extracted and exhibits a clear signature of field shift contributions. From the data, we were able to extract the small difference of the field shift coefficient and mass shifts between the two transitions with high accuracy. This J-dependence is of relativistic origin and can be used to benchmark atomic structure calculations. As a first step, we use several ab initio atomic structure calculation methods to provide more accurate values for the field shift constants and their ratio. Remarkably, the high-accuracy value for the ratio of the field shift constants extracted from the experimental data is larger than all available theoretical predictions.

Stannic oxide spherical nanoparticles: an anode material with long-term cyclability for Li-ion rechargeable batteries

NASA Astrophysics Data System (ADS)

Kalubarme, Ramchandra S.; Kale, Bharat B.; Gosavi, Suresh W.

2017-08-01

Transition metal oxides are widely used in energy storage applications. Stannic oxide nanostructures are prepared using a controlled, NaOH assisted, simple precipitation method. The morphology of the prepared material confirms the formation of fine nanoparticles having a rutile stannic oxide (SnO2) phase, with cassiterite structure, and size distribution ~20 nm. On testing, as an anode material for a Li-ion battery, stannic oxide delivers a reversible charge capacity of 957 mAh g-1 at an applied current rate of C/10. The stannic oxide shows excellent rate performance displaying capacity of 577 mAh g-1 at 10 C and capacity of 919 mAh g-1 retained after 200 cycles at an applied current rate of C/2. The super performance of stannic oxide fine particles stem from both the effective diffusion of Li-ions to reaction sites through porous channels and weaker stress/strain during Li insertion/desertion owing to its fine size.

Stationary zonal flows during the formation of the edge transport barrier in the JET tokamak

DOE PAGES

Hillesheim, J. C.; Meyer, H.; Maggi, C. F.; ...

2016-02-10

In this study, high spatial resolution Doppler backscattering measurements in JET have enabled new insights into the development of the edge E r. We observe fine-scale spatial structures in the edge E r well with a wave number k rρi ≈ 0.4-0.8, consistent with stationary zonal flows, the characteristics of which vary with density. The zonal flow amplitude and wavelength both decrease with local collisionality, such that the zonal flow E x B shear increases. Above the minimum of the L-H transition power threshold dependence on density, the zonal flows are present during L mode and disappear following the H-modemore » transition, while below the minimum they are reduced below measurable amplitude during L mode, before the L-H transition.« less

Energy levels and radiative rates for Ne-like ions from Cu to Ga

NASA Astrophysics Data System (ADS)

Singh, Narendra; Aggarwal, Sunny

2017-11-01

Energy levels, lifetimes and wave function compositions are computed for 127 fine structural levels in Ne-like ions (Z=29{-}31). Configuration interaction has been included among 51 configurations (generating 1016 levels) and multiconfigurational Dirac-Fock method is used to generate the wave functions. Similar calculations have also been performed using the fully relativistic flexible atomic code (FAC). Transition wavelength, oscillator strength, transition probabilities and line strength are reported for electric dipole (E1), electric quadrupole (E2), magnetic dipole (M1) and magnetic quadrupole (M2) transitions from the ground level. We compared our calculated results with the available data in the literature. The calculated results are found to be in close agreement with the previous results. Further, we predict some new atomic data which may be important for plasma diagnostics.

DYNAMICS OF HIGH ENERGY IONS AT A STRUCTURED COLLISIONLESS SHOCK FRONT

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

Gedalin, M.; Dröge, W.; Kartavykh, Y. Y., E-mail: gedalin@bgu.ac.il

2016-07-10

Ions undergoing first-order Fermi acceleration at a shock are scattered in the upstream and downstream regions by magnetic inhomogeneities. For high energy ions this scattering is efficient at spatial scales substantially larger than the gyroradius of the ions. The transition from one diffusive region to the other occurs via crossing the shock, and the ion dynamics during this crossing is mainly affected by the global magnetic field change between the upstream and downstream region. We study the effects of the fine structure of the shock front, such as the foot-ramp-overshoot profile and the phase-standing upstream and downstream magnetic oscillations. Wemore » also consider time dependent features, including reformation and large amplitude coherent waves. We show that the influence of the spatial and temporal structure of the shock front on the dependence of the transition and reflection on the pitch angle of the ions is already weak at ion speeds five times the speed of the upstream flow.« less

X-ray Absorption Fine Structure (XAFS) Studies of Oxide Glasses—A 45-Year Overview

PubMed Central

Zanotto, Edgar Dutra

2018-01-01

X-ray Absorption Fine Structure (XAFS) spectroscopy has been widely used to characterize the short-range order of glassy materials since the theoretical basis was established 45 years ago. Soon after the technique became accessible, mainly due to the existence of Synchrotron laboratories, a wide range of glassy materials was characterized. Silicate glasses have been the most studied because they are easy to prepare, they have commercial value and are similar to natural glasses, but borate, germanate, phosphate, tellurite and other less frequent oxide glasses have also been studied. In this manuscript, we review reported advances in the structural characterization of oxide-based glasses using this technique. A focus is on structural characterization of transition metal ions, especially Ti, Fe, and Ni, and their role in different properties of synthetic oxide-based glasses, as well as their important function in the formation of natural glasses and magmas, and in nucleation and crystallization. We also give some examples of XAFS applications for structural characterization of glasses submitted to high pressure, glasses used to store radioactive waste and medieval glasses. This updated, comprehensive review will likely serve as a useful guide to clarify the details of the short-range structure of oxide glasses. PMID:29382102

Full-potential theoretical investigations of electron inelastic mean free paths and extended x-ray absorption fine structure in molybdenum.

PubMed

Chantler, C T; Bourke, J D

2014-04-09

X-ray absorption fine structure (XAFS) spectroscopy is one of the most robust, adaptable, and widely used structural analysis tools available for a range of material classes from bulk solids to aqueous solutions and active catalytic structures. Recent developments in XAFS theory have enabled high-accuracy calculations of spectra over an extended energy range using full-potential cluster modelling, and have demonstrated particular sensitivity in XAFS to a fundamental electron transport property-the electron inelastic mean free path (IMFP). We develop electron IMFP theory using a unique hybrid model that simultaneously incorporates second-order excitation losses, while precisely accounting for optical transitions dictated by the complex band structure of the solid. These advances are coupled with improved XAFS modelling to determine wide energy-range absorption spectra for molybdenum. This represents a critical test case of the theory, as measurements of molybdenum K-edge XAFS represent the most accurate determinations of XAFS spectra for any material. We find that we are able to reproduce an extended range of oscillatory structure in the absorption spectrum, and demonstrate a first-time theoretical determination of the absorption coefficient of molybdenum over the entire extended XAFS range utilizing a full-potential cluster model.

Final Report 8201, October 1982.

DTIC Science & Technology

1982-10-01

probabilities for electrostatic fine structure transitions in lithium -like, beryllium-like, and boron-like ions of high nuclear charge. Relativistic effects...and Argon Gases by Lithium Projectiles," with F. K. Chen, G. Lapicki, R. Laubert, S. B. Elston, and R. S. Peterson, Physics Lett. 60A, 292 (1977...in the Lithium - like Ions A1 10*, Sill+, and S13+ ,’ with H. H. Haselton, R. S. Thoe, P. N. Griffin, J. R. Nowat, D. J. Pegg, and R. Peterson

Body-Building: A Female Student's Use of the Transitional Spaces of a Painting Degree Course to Explore Her Sexual Desirability and Aesthetics as a "Grotesque" Female Body

ERIC Educational Resources Information Center

Chittenden, Tara

2013-01-01

Whilst a part of the fine art degree course is about teaching technical skills and learning from tutor/peer group crits, a larger part is about the facilitation of a "safe" and structured space in which students gain the confidence to experiment with personal ideas, to hone a self-critical reflection and understand who they are as individuals,…

Temperature Dependent Rubidium Helium Line Shapes and Fine Structure Mixing Rates

DTIC Science & Technology

2015-09-01

that uses alkali metal vapor as a gain medium and a buffer gas to control the line shape and kinetics. While these systems were first demonstrated in...noble gas interactions with a high degree of accuracy. The physical parameters of interest here include pressure broadening (γ), pressure shift (δ...optical transitions between the two excited states. This collisional partner is a gas mixture that is pumped into the cell. The gases used range from

Temperature Dependent Rubidium-Helium Line Shapes and Fine Structure Mixing Rates

DTIC Science & Technology

2015-09-17

that uses alkali metal vapor as a gain medium and a buffer gas to control the line shape and kinetics. While these systems were first demonstrated in...noble gas interactions with a high degree of accuracy. The physical parameters of interest here include pressure broadening (γ), pressure shift (δ...optical transitions between the two excited states. This collisional partner is a gas mixture that is pumped into the cell. The gases used range from

Fourier transform millimeter-wave spectroscopy of the ethyl radical in the electronic ground state.

PubMed

Kim, Eunsook; Yamamoto, Satoshi

2004-02-15

The pure rotational spectrum of the ethyl radical (C2H5) has been detected for the first time with the Fourier transform millimeter-wave spectrometer. The ethyl radical is produced by discharging the C2H5I gas diluted in Ar. The 1(01)-0(00) rotational transition of the ethyl radical is observed in the frequency range from 43,680 to 43,780 MHz. The observed spectrum shows a very complicated pattern of the fine and hyperfine structures of a doublet radical with the nuclear spins of five protons. The fine and hyperfine components are assigned with the aid of measurements of the Zeeman splittings. As a result, the 22 lines are ascribed to the transitions in the ground vibronic state (A2"). The rotational constant, the spin-rotation interaction constant, and hyperfine interaction constants are determined by the least-squares fit. The Fermi contact term of the alpha-proton is determined to be -64.1654 MHz in the gas phase, indicating that the structure of the -CH2 is essentially planar. The present rotational spectroscopic study further supports that the methyl group of the ethyl radical can be regarded as a nearly free internal rotor with a low energy barrier. A few unassigned lines still remain, which may be vibrational satellites of the internal rotation mode. Copyright 2004 American Institute of Physics

Magnetic interactions in NiO at ultrahigh pressure

DOE PAGES

Potapkin, Vasily; Dubrovinsky, Leonid; Sergueev, I.; ...

2016-05-24

Here, magnetic properties of NiO have been studied in the multimegabar pressure range by nuclear forward scattering of synchrotron radiation using the 67.4 keV M ssbauer transition of 61Ni. The observed magnetic hyperfine splitting confirms the antiferromagnetic state of NiO up to 280 GPa, the highest pressure where magnetism has been observed so far, in any material. Remarkably, the hyperfine field increases from 8.47 T at ambient pressure to ~24 T at the highest pressure, ruling out the possibility of a magnetic collapse. A joint x-ray diffraction and extended x-ray-absorption fine structure investigation reveals that NiO remains in a distortedmore » sodium chloride structure in the entire studied pressure range. Ab initio calculations support the experimental observations, and further indicate a complete absence of Mott transition in NiO up to at least 280 GPa.« less

The Manufacturing of High Porosity Iron with an Ultra-Fine Microstructure via Free Pressureless Spark Plasma Sintering

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

Cui, Guodong; Wei, Xialu; Olevsky, Eugene

2016-06-01

High porosity (>40 vol %) iron specimens with micro- and nanoscale isotropic pores were fabricated by carrying out free pressureless spark plasma sintering (FPSPS) of submicron hollow Fe–N powders at 750 °C. Ultra-fine porous microstructures are obtained by imposing high heating rates during the preparation process. This specially designed approach not only avoids the extra procedures of adding and removing space holders during the formation of porous structures, but also triggers the continued phase transitions of the Fe–N system at relatively lower processing temperatures. In conclusion, the compressive strength and energy absorption characteristics of the FPSPS processed specimens are examinedmore » here to be correspondingly improved as a result of the refined microstructure.« less

Radiative rates and electron impact excitation rate coefficients for Ne-like selenium, Se XXV

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

Wang, K.; Chen, C.Y., E-mail: chychen@fudan.edu.cn; Huang, M.

2011-07-15

In this article we report calculations of energy levels, radiative rates, electron impact collision strengths, and effective collision strengths for transitions among the 241 fine-structure levels arising from 2l{sup 8} and 2l{sup 7}n{sup '}l{sup '} (n{sup '{<=}}6 and l{sup '{<=}}n{sup '}-1) configurations of Ne-like Se XXV using the Flexible Atomic Code. Energy levels and radiative rates are calculated within the relativistic configuration-interaction method. Direct excitation collision strengths are calculated using the relativistic distorted-wave approximation and high-energy collision strengths are obtained in the relativistic plane-wave approximation. Resonance contributions through the relevant Na-like doubly-excited configurations 2l{sup 7}n'l'n''l'' (3{<=}n'{<=}7, l'{<=}n'-1, n'{<=}n''{<=}50, and l''{<=}8)more » are explicitly taken into account via the independent-process and isolated-resonance approximation using distorted waves. Resonant stabilizing transitions and possibly important radiative decays from the resonances toward low-lying autoionizing levels are considered. In addition, the resonance contributions from Na-like 2l{sup 6}3l'3l'''n''' (n'''=3-6) configurations are included and found to be predominant for many transitions among the singly-excited states in Ne-like Se XXV. We present the radiative rates, oscillator strengths, and line strengths for all electric dipole, magnetic dipole, electric quadrupole, magnetic quadrupole, electric octopole, and magnetic octopole transitions among the 241 levels. The effective collision strengths are reported for all 28920 transitions among the 241 levels over a wide temperature range up to 10 keV. To assess the reliability and accuracy of the present collisional data, we have performed a 27-state close-coupling calculation, employing the Dirac R-matrix theory. The results from the close-coupling calculation and the independent-process calculation for the identical target states are found to be in good agreement. - Highlights: {yields} Radiative and collisional atomic data are presented for the lowest 241 fine-structure levels in Ne-like Se. {yields} Calculations are performed using the FAC package. {yields} Resonances enhance significantly a large amount of transitions. {yields} Radiative damping effects are significant for many transitions. {yields} Close-coupling effects are small in Ne-like Se.« less

Terahertz Rotational Spectroscopy of the so Radical

NASA Astrophysics Data System (ADS)

Martin-Drumel, M. A.; Cuisset, A.; Eliet, S.; Mouret, G.; Hindle, F.; Pirali, O.

2013-06-01

Sulfur monoxide SO (X^3Σ^-) is a well-known interstellar radical identified in a wide variety of astrophysical environments. Due to its high reactivity and its role in chemical reactions involving O and S atoms, SO is also a reaction intermediate in combustion processes and chemistry of the Earth atmosphere. We have recorded pure rotational transitions of SO in the THz spectral range using synchrotron-based Fourier-Transform (FT) FIR and continous wave (CW) THz techniques. A FT-FIR spectrum of SO has been recorded at the AILES beamline of SOLEIL synchrotron in the spectral range 44-93 wn using a resolution of 0.001 wn allowing an accuracy on line position of 0.00007 wn (≃ 2 MHz). A multipass absorption discharge cell aligned to an absorption path length of 24 m has been used. A continuous electrical discharge (1 A / 980 V) in a flowing mixture of H_2S, He, H_2 and air (respectively at pressure of 0.01, 1.15, 0.14 and 0.06 mbar) was used to produce SO. On this spectrum, 102 transitions of SO have been identified with N=31 to 65. Among the observed lines, 99 are detected for the first time (22 new transitions belong to the HIFI spectral windows). Due to our limited instrumental resolution, transitions involving N ranging from 31 to 43 show unresolved fine structure triplets. Recently, in order to observe all fine structure components in the HIFI spectral windows, we have recorded a high resolution CW-THz spectrum of SO. At the time of the writing, this spectrum was under analysis. C. A. Gottlieb and J. A. Ball, Astrophys. J. 184, L59 (1973) G.A. Blake et al., Astrophys. J. 315, 621 (1987) J. B. Burkholder et al., J. Mol. Spectrosc. 124, 379 (1987) M. A. Martin-Drumel et al., Rev. Sci. Instrum. 82, 113106 (2011) S. Eliet et al., J. Mol. Struct. 1006, 13 (2011)

Infrared and far-infrared laser magnetic resonance spectroscopy of the GeH radical - Determination of ground state parameters

NASA Technical Reports Server (NTRS)

Brown, J. M.; Evenson, K. M.; Sears, T. J.

1985-01-01

The GeH radical has been detected in its ground 2 Pi state in the gas phase reaction of fluorine atoms with GeH4 by laser magnetic resonance techniques. Rotational transitions within both 2 Pi 1/2 and 2 Pi 3/2 manifolds have been observed at far-infrared wavelengths and rotational transitions between the two fine structure components have been detected at infrared wavelengths (10 microns). Signals have been observed for all five naturally occurring isotopes of germanium. Nuclear hyperfine structure for H-1 and Ge-73 has also been observed. The data for the dominant isotope (/Ge-74/H) have been fitted to within experimental error by an effective Hamiltonian to give a set of molecular parameters for the X 2 Pi state which is very nearly complete. In addition, the dipole moment of GeH in its ground state has been estimated from the relative intensities of electric and magnetic dipole transitions in the 10 micron spectrum to be 1.24(+ or - 0.10) D.

Application of x-ray absorption fine structure (XAFS) to local-order analysis in Fe-Cr maghemite-like materials

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

Montero-Cabrera, M. E., E-mail: elena.montero@cimav.edu.mx; Fuentes-Cobas, L. E.; Macías-Ríos, E.

2015-07-23

The maghemite-like oxide system γ-Fe{sub 2-x}Cr{sub x}O{sub 3} (x=0.75, 1 and 1.25) was studied by X-ray absorption fine structure (XAFS) and by synchrotron radiation X-ray diffraction (XRD). Measurements were performed at the Stanford Synchrotron Radiation Lightsource at room temperature, at beamlines 2-1, 2-3 and 4-3. High-resolution XRD patterns were processed by means of the Rietveld method. In cases of atoms being neighbors in the Periodic Table, the order/disorder degree of the considered solutions is indiscernible by “normal” (absence of “anomalous scattering”) diffraction experiments. Thus, maghemite-like materials were investigated by XAFS in both Fe and Cr K-edges to clarify, via short-rangemore » structure characterization, the local ordering of the investigated system. Athena and Artemis graphic user interfaces for IFEFFIT and FEFF8.4 codes were employed for XAFS spectra interpretation. Pre-edge decomposition and theoretical modeling of X-ray absorption near edge structure (XANES) transitions were performed. By analysis of the Cr K-edge XANES, it has been confirmed that Cr is located in an octahedral environment. Fitting of the extended X-ray absorption fine structure (EXAFS) spectra was performed under the consideration that the central atom of Fe is allowed to occupy octa- and tetrahedral positions, while Cr occupies only octahedral ones. Coordination number of neighboring atoms, interatomic distances and their quadratic deviation average were determined for x=1, by fitting simultaneously the EXAFS spectra of both Fe and Cr K-edges. The results of fitting the experimental spectra with theoretical standards showed that the cation vacancies tend to follow a regular pattern within the structure of the iron-chromium maghemite (FeCrO{sub 3})« less

The relation between cognitive and motor performance and their relevance for children's transition to school: a latent variable approach.

PubMed

Roebers, Claudia M; Röthlisberger, Marianne; Neuenschwander, Regula; Cimeli, Patrizia; Michel, Eva; Jäger, Katja

2014-02-01

Both theoretically and empirically there is a continuous interest in understanding the specific relation between cognitive and motor development in childhood. In the present longitudinal study including three measurement points, this relation was targeted. At the beginning of the study, the participating children were 5-6-year-olds. By assessing participants' fine motor skills, their executive functioning, and their non-verbal intelligence, their cross-sectional and cross-lagged interrelations were examined. Additionally, performance in these three areas was used to predict early school achievement (in terms of mathematics, reading, and spelling) at the end of participants' first grade. Correlational analyses and structural equation modeling revealed that fine motor skills, non-verbal intelligence and executive functioning were significantly interrelated. Both fine motor skills and intelligence had significant links to later school achievement. However, when executive functioning was additionally included into the prediction of early academic achievement, fine motor skills and non-verbal intelligence were no longer significantly associated with later school performance suggesting that executive functioning plays an important role for the motor-cognitive performance link. Copyright © 2013 Elsevier B.V. All rights reserved.

Effect of different thickness crystalline SiC buffer layers on the ordering of MgB{sub 2} films probed by extended x-ray absorption fine structure

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

Putri, W. B. K.; Tran, D. H.; Kang, B., E-mail: bwkang@chungbuk.ac.kr

2014-03-07

Extended X-ray absorption fine structure (EXAFS) spectroscopy is a powerful method to investigate the local structure of thin films. Here, we have studied EXAFS of MgB{sub 2} films grown on SiC buffer layers. Crystalline SiC buffer layers with different thickness of 70, 100, and 130 nm were deposited on the Al{sub 2}O{sub 3} (0001) substrates by using a pulsed laser deposition method, and then MgB{sub 2} films were grown on the SiC buffer layer by using a hybrid physical-chemical vapor deposition technique. Transition temperature of MgB{sub 2} film decreased with increasing thickness of SiC buffer layer. However, the T{sub c} droppingmore » went no farther than 100 nm-thick-SiC. This uncommon behavior of transition temperature is likely to be created from electron-phonon interaction in MgB{sub 2} films, which is believed to be related to the ordering of MgB{sub 2} atomic bonds, especially in the ordering of Mg–Mg bonds. Analysis from Mg K-edge EXAFS measurements showed interesting ordering behavior of MgB{sub 2} films. It is noticeable that the ordering of Mg–B bonds is found to decrease monotonically with the increase in SiC thickness of the MgB{sub 2} films, while the opposite happens with the ordering in Mg–Mg bonds. Based on these results, crystalline SiC buffer layers in MgB{sub 2} films seemingly have evident effects on the alteration of the local structure of the MgB{sub 2} film.« less

Decoupling the Lattice Distortion and Charge Doping Effects on the Phase Transition Behavior of VO2 by Titanium (Ti4+) Doping

PubMed Central

Wu, Yanfei; Fan, Lele; Liu, Qinghua; Chen, Shi; Huang, Weifeng; Chen, Feihu; Liao, Guangming; Zou, Chongwen; Wu, Ziyu

2015-01-01

The mechanism for regulating the critical temperature (TC) of metal-insulator transition (MIT) in ions-doped VO2 systems is still a matter of debate, in particular, the unclear roles of lattice distortion and charge doping effects. To rule out the charge doping effect on the regulation of TC, we investigated Ti4+-doped VO2 (TixV1-xO2) system. It was observed that the TC of TixV1-xO2 samples first slightly decreased and then increased with increasing Ti concentration. X-ray absorption fine structure (XAFS) spectroscopy was used to explore the electronic states and local lattice structures around both Ti and V atoms in TixV1-xO2 samples. Our results revealed the local structure evolution from the initial anatase to the rutile-like structure around the Ti dopants. Furthermore, the host monoclinic VO2 lattice, specifically, the VO6 octahedra would be subtly distorted by Ti doping. The distortion of VO6 octahedra and the variation of TC showed almost the similar trend, confirming the direct effect of local structural perturbations on the phase transition behavior. By comparing other ion-doping systems, we point out that the charge doping is more effective than the lattice distortion in modulating the MIT behavior of VO2 materials. PMID:25950809

Performance Technology Program (PTP-S 2). Volume 9: Evaluation of reentry vehicle nosetip transition and heat transfer in the AEDC hyperballistics track G

NASA Astrophysics Data System (ADS)

Wassel, A. T.; Shih, W. C. L.; Curtis, R. J.

1981-01-01

Boundary layer transition and surface heating distributions on graphite fine weave carbon-carbon, and metallic nosetip materials were derived from surface temperature responses measured in nitrogen environments during both free-flight and track-guided testing in the AEDC Hyperballistics Range/Track G. Innovative test procedures were developed, and heat transfer results were validated against established theory through experiments using a super-smooth tungsten model. Quantitative definitions of mean transition front locations were established by deriving heat flux distributions from measured temperatures, and comparisons made with existing nosetip transition correlations. Qualitative transition locations were inferred directly from temperature distributions to investigate preferred orientations on fine weave nosetips. Levels of roughness augmented heat transfer were generally shown to be below values predicted by state of the art methods.

NREL Evaluates Performance of Fast-Charge Electric Buses

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

2016-09-16

This real-world performance evaluation is designed to enhance understanding of the overall usage and effectiveness of electric buses in transit operation and to provide unbiased technical information to other agencies interested in adding such vehicles to their fleets. Initial results indicate that the electric buses under study offer significant fuel and emissions savings. The final results will help Foothill Transit optimize the energy-saving potential of its transit fleet. NREL's performance evaluations help vehicle manufacturers fine-tune their designs and help fleet managers select fuel-efficient, low-emission vehicles that meet their bottom line and operational goals. help Foothill Transit optimize the energy-saving potentialmore » of its transit fleet. NREL's performance evaluations help vehicle manufacturers fine-tune their designs and help fleet managers select fuel-efficient, low-emission vehicles that meet their bottom line and operational goals.« less

Millimeter-wave spectroscopy of CrC (X(3)Σ(-)) and CrCCH (X̃ (6)Σ(+)): Examining the chromium-carbon bond.

PubMed

Min, J; Ziurys, L M

2016-05-14

Pure rotational spectroscopy of the CrC (X(3)Σ(-)) and CrCCH (X̃ (6)Σ(+)) radicals has been conducted using millimeter/sub-millimeter direct absorption methods in the frequency range 225-585 GHz. These species were created in an AC discharge of Cr(CO)6 and either methane or acetylene, diluted in argon. Spectra of the CrCCD were also recorded for the first time using deuterated acetylene as the carbon precursor. Seven rotational transitions of CrC were measured, each consisting of three widely spaced, fine structure components, arising from spin-spin and spin-rotation interactions. Eleven rotational transitions were recorded for CrCCH and five for CrCCD; each transition in these cases was composed of a distinct fine structure sextet. These measurements confirm the respective (3)Σ(-) and (6)Σ(+) ground electronic states of these radicals, as indicated from optical studies. The data were analyzed using a Hund's case (b) Hamiltonian, and rotational, spin-spin, and spin-rotation constants have been accurately determined for all three species. The spectroscopic parameters for CrC were significantly revised from previous optical work, while those for CrCCH are in excellent agreement; completely new constants were established for CrCCD. The chromium-carbon bond length for CrC was calculated to be 1.631 Å, while that in CrCCH was found to be rCr-C = 1.993 Å - significantly longer. This result suggests that a single Cr-C bond is present in CrCCH, preserving the acetylenic structure of the ligand, while a triple bond exists in CrC. Analysis of the spin constants suggests that CrC has a nearby excited (1)Σ(+) state lying ∼16 900 cm(-1) higher in energy, and CrCCH has a (6)Π excited state with E ∼ 4800 cm(-1).

Line strengths of QED-sensitive forbidden transitions in B-, Al-, F- and Cl-like ions

NASA Astrophysics Data System (ADS)

Bilal, M.; Volotka, A. V.; Beerwerth, R.; Fritzsche, S.

2018-05-01

The magnetic dipole (M 1 ) line strength between the fine-structure levels of the ground configurations in B-, F-, Al-, and Cl-like ions are calculated for the four elements argon, iron, molybdenum, and tungsten. Systematically enlarged multiconfiguration Dirac-Hartree-Fock (MCDHF) wave functions are employed to account for the interelectronic interaction with the Breit interaction included in first-order perturbation theory. The QED corrections are evaluated to all orders in α Z utilizing an effective potential approach. The calculated line strengths are compared with the results of other theories. The M 1 transition rates are reported using accurate energies from the literature. Moreover, the lifetimes in the range of millisecond to picosecond are predicted including the contributions from the transition rate due to the E 2 transition channel. The discrepancies of the predicted rates from those available from the literature are discussed and a benchmark data set of theoretical lifetimes is provided to support future experiments.

Atoms and Molecules Interacting with Light

NASA Astrophysics Data System (ADS)

van der Straten, Peter; Metcalf, Harold

2016-02-01

Part I. Atom-Light Interaction: 1. The classical physics pathway; Appendix 1.A. Damping force on an accelerating charge; Appendix 1.B. Hanle effect; Appendix 1.C. Optical tweezers; 2. Interaction of two-level atoms and light; Appendix 2.A. Pauli matrices for motion of the bloch vector; Appendix 2.B. The Ramsey method; Appendix 2.C. Echoes and interferometry; Appendix 2.D. Adiabatic rapid passage; Appendix 2.E Superposition and entanglement; 3. The atom-light interaction; Appendix 3.A. Proof of the oscillator strength theorem; Appendix 3.B. Electromagnetic fields; Appendix 3.C. The dipole approximation; Appendix 3.D. Time resolved fluorescence from multi-level atoms; 4. 'Forbidden' transitions; Appendix 4.A. Higher order approximations; 5. Spontaneous emission; Appendix 5.A. The quantum mechanical harmonic oscillator; Appendix 5.B. Field quantization; Appendix 5.C. Alternative theories to QED; 6. The density matrix; Appendix 6.A. The Liouville-von Neumann equation; Part II. Internal Structure: 7. The hydrogen atom; Appendix 7.A. Center-of-mass motion; Appendix 7.B. Coordinate systems; Appendix 7.C. Commuting operators; Appendix 7.D. Matrix elements of the radial wavefunctions; 8. Fine structure; Appendix 8.A. The Sommerfeld fine-structure constant; Appendix 8.B. Measurements of the fine structure 9. Effects of the nucleus; Appendix 9.A. Interacting magnetic dipoles; Appendix 9.B. Hyperfine structure for two spin =2 particles; Appendix 9.C. The hydrogen maser; 10. The alkali-metal atoms; Appendix 10.A. Quantum defects for the alkalis; Appendix 10.B. Numerov method; 11. Atoms in magnetic fields; Appendix 11.A. The ground state of atomic hydrogen; Appendix 11.B. Positronium; Appendix 11.C. The non-crossing theorem; Appendix 11.D. Passage through an anticrossing: Landau-Zener transitions; 12. Atoms in electric fields; 13. Rydberg atoms; 14. The helium atom; Appendix 14.A. Variational calculations; Appendix 14.B. Detail on the variational calculations of the ground state; 15. The periodic system of the elements; Appendix 15. A paramagnetism; Appendix 15.B. The color of gold; 16. Molecules; Appendix 16.A. Morse potential; 17. Binding in the hydrogen molecule; Appendix 17.A. Confocal elliptical coordinates; Appendix 17.B. One-electron two-center integrals; Appendix 17.C. Electron-electron interaction in molecular hydrogen; 18. Ultra-cold chemistry; Part III. Applications: 19. Optical forces and laser cooling; 20. Confinement of neutral atoms; 21. Bose-Einstein condensation; Appendix 21.A. Distribution functions; Appendix 21.B. Density of states; 22. Cold molecules; 23. Three level systems; Appendix 23.A. General Case for _1 , _2; 24. Fundamental physics; Part IV. Appendices: Appendix A. Notation and definitions; Appendix B. Units and notation; Appendix C. Angular momentum in quantum mechanics; Appendix D. Transition strengths; References; Index.

Controls on the abruptness of gravel-sand transitions

NASA Astrophysics Data System (ADS)

Venditti, J. G.; Church, M. A.; Lamb, M. P.; Domarad, N.; Rennie, C. D.

2014-12-01

As gravel-bedded rivers fine downstream, they characteristically exhibit an abrupt transition from gravel- to sand-bed. This is the only abrupt transition in grain-size that occurs in the fluvial system and has attracted considerable attention. A number of competing theories have been proposed to account for the abruptness of the transition, including base-level control, attrition of ~10mm gravel to produce sand, and sediment sorting processes. The prevailing theory for the emergence of abrupt transitions is size selective sorting of bimodal sediment wherein gravel deposits due to downstream declining shear stress, fining the bedload until a sand-bed emerges. We explored this hypothesis by examining grain-size, shear stress, gravel mobility and sand suspension thresholds through the gravel-sand transition (GST) of the Fraser River, British Columbia. The Fraser GST is an arrested gravel wedge with patches of gravel downstream of the wedge forming a diffuse extension. There is an abrupt change in bed slope through the transition that leads to an abrupt change in shear stress. The GST, bed-slope change and backwater caused by the ocean are all coincident spatially, which enhances the sharpness of the GST. Interestingly, the bimodal reach of the river occurs downstream of the GST and exhibits no downstream gradients in shear stress, suspended sediment flux, gravel mobility or sand suspension thresholds. This calls into question the prevailing theory for the emergence of an abrupt GST by size selective sorting. We provide evidence, both empirical and theoretical, that suggests the emergence of an abrupt GST is caused by rapid deposition of sand when fine gravel deposits. We argue that the emergence of gravel-sand transitions is a consequence of gravel-bedded rivers adopting a steeper slope than sand-bedded rivers. The abruptness arises because the bed slope required to convey the gravel load fixes the distal location of a terminal gravel wedge, and once the river has lost the capacity to carry the gravel mixture, the river adopts the lower slope required to pass the sand load. Progressive downstream fining of a gravel-sand mixture is not a necessary condition for the emergence of a gravel-sand transition.

Estimating and Enhancing Public Transit Accessibility for People with Mobility Limitations

DOT National Transportation Integrated Search

2017-06-30

This two-part study employs fine-scale performance measures and analytical techniques designed to evaluate and improve transit services for people experiencing disability. Part one puts forth a series of time-sensitive, general transit feed system (G...

ISM Parameters in the Normal Galaxy NGC 5713

NASA Technical Reports Server (NTRS)

Lord, S. D.; Malhotra, S.; Lim, T.; Helou, G.; Beichman, C. A.; Dinerstein, H.; Hollenbach, D. J.; Hunter, D. A.; Lo, K. Y.; Lu, N. Y.;

Generalized uncertainty principles and quantum field theory

NASA Astrophysics Data System (ADS)

Husain, Viqar; Kothawala, Dawood; Seahra, Sanjeev S.

2013-01-01

Quantum mechanics with a generalized uncertainty principle arises through a representation of the commutator [x^,p^]=if(p^). We apply this deformed quantization to free scalar field theory for f±=1±βp2. The resulting quantum field theories have a rich fine scale structure. For small wavelength modes, the Green’s function for f+ exhibits a remarkable transition from Lorentz to Galilean invariance, whereas for f- such modes effectively do not propagate. For both cases Lorentz invariance is recovered at long wavelengths.

Large scale CIV3 calculations of fine-structure energy levels, oscillator strengths, and lifetimes in Fe XIV and Ni XVI

NASA Astrophysics Data System (ADS)

Gupta, G. P.; Msezane, A. Z.

2005-01-01

We have performed large scale CIV3 calculations of excitation energies from ground states for 109 fine-structure levels as well as of oscillator strengths and radiative decay rates for all electric-dipole-allowed and intercombination transitions among the (1s 22s 22p 6)3s 23p( 2P 0), 3s3p 2( 2S, 2P, 2D, 4P), 3s 23d( 2D), 3p 3( 4S 0, 2P 0, 2D 0), 3s3p( 3P 0)3d( 2P 0, 2D 0, 2F 0, 4P 0, 4D 0, 4F 0), 3s3p( 1P 0)3d( 2P 0, 2D 0, 2F 0), 3p 2( 1S)3d( 2D), 3p 2( 1D)3d( 2S, 2P, 2D), 3p 2( 3P)3d( 2P, 2D, 4P), 3s3d 2( 2S, 2P, 2D, 4P), 3p3d 2( 1S)( 2P 0), 3p3d 2( 1D)( 2P 0, 2D 0, 2F 0), 3p3d 2( 1G)( 2F 0), 3p3d 2( 3P)( 2P 0, 2D 0, 4S 0, 4P 0, 4D 0), 3p3d 2( 3F)( 2D 0, 2F 0, 4D 0, 4F 0), 3s 24s( 2S), 3s 24p( 2P 0), 3s 24d( 2D), 3s 24f( 2F 0), 3s3p( 3P 0)4s( 2P 0, 4P 0), and 3s3p( 1P 0)4s( 2P 0) states of Fe XIV and Ni XVI. These states are represented by very extensive configuration-interaction (CI) wavefunctions obtained using the CIV3 computer code of Hibbert. The relativistic effects in intermediate coupling are incorporated by means of the Breit-Pauli Hamiltonian which consists of the nonrelativistic term plus the one-body mass correction, Darwin term, and spin-orbit, spin-other-orbit, and spin-spin operators. The errors which often occur with sophisticated ab initio atomic structure calculations are reduced. Our calculated excitation energies, including their ordering, are in excellent agreement with the available experimental results for both of the ions studied. From our transition probabilities, we have also calculated radiative lifetimes of the lowest 37 fine-structure levels in Fe XIV and Ni XVI and compared them with available theoretical and experimental results. The mixing among several fine-structure levels is found to be so strong that the correct identification of these levels becomes very difficult. We predict new data for several levels where no other theoretical and/or experimental results are available. We hope that our extensive calculations will be useful to experimentalists in identifying the fine-structure levels in their future work.

Laboratory detection of a new interstellar free radical CH2CN(2B1)

NASA Technical Reports Server (NTRS)

Saito, Shuji; Yamamoto, Satoshi; Irvine, W. M.; Ziurys, L. M.; Suzuki, Hiroko

1988-01-01

An asymmetric-top free radical CH2CN with a 2B1 ground state was detected by laboratory microwave spectroscopy. The radical was produced in a free-space absorption cell by a DC glow discharge in pure CH3CN gas. About 60 fine-structure components were observed for the N = 11-10 to 14-13 a-type rotational transitions in the frequency region of 220-260 GHz. Hyperfine resolved components for the N = 4-3 and 5-4 transitions were resolved in the 80 and 100 GHz regions, respectively. Molecular constants were determined and U100602 and U80484 from Sgr B2, and U40240 and U20120 from TMC-1 were assigned to the N = 5-4, 4-3, 2-1, and 1-0 transitions with K(-1) = 0 of the CH2CN radical.

Laser Spectroscopy of Highly-Charged Ions in an Electron Beam Ion Trap

NASA Astrophysics Data System (ADS)

Hosaka, K.; Crosby, D. N.; Gaarde-Widdowson, K.; Smith, C. J.; Silver, J. D.; Kinugawa, T.; Ohtani, S.; Myers, E. G.

2002-05-01

Using a ^14C^16O2 carbon-dioxide laser the 2s_1/2 - 2p_3/2 (fine structure - Lamb shift) transition has been induced in hydrogen-like nitrogen ions produced and trapped in the Oxford EBIT [1]. The transition was observed using a Si(Li) x-ray detector as a small increase in x-rays at the energy of the 2p - 1s transition as the laser wavelength was line-tuned across the resonance. A corresponding reduction in x-rays near the peak of the two-photon 2s - 1s energy spectrum was also seen. The method will be compared with the fast-beam laser technique [2]. [1] J.D. Silver et al., Rev. Sci. Instrum. 65, 1072 (1994). [2] E.G. Myers and M.R. Tarbutt, in The Hydrogen Atom, Precision Physics of Simple Atomic Systems, ed. S.G. Karshenboim et al., Springer 2001, p 688.

Fast molecular shocks. II - Emission from fast dissociative shocks

NASA Technical Reports Server (NTRS)

Neufeld, David A.; Dalgarno, A.

1989-01-01

The line radiations emitted in the cooling gas behind a fast dissociative shock are studied. The intensities emitted in high rotational transitions of the neutral molecules CO, SiO, HCN, CN, NO, and SO are estimated, as well as in rovibrational transitions of the molecular ions HeH(+) and OH(+) in radio recombination lines of atomic hydrogen and in fine-structure transitions of C, C(+), O, and Si(+). The predictions are compared with the observed intensities of line emission from the Orion-KL region. For Orion-KL the observations do not exclude, but probably do not require, the presence of a fast dissociative shock. Emission from SiO in high-J rotational states and from vibrationally excited OH(+), HeH(+), HeH(+), and SO(+) may be detectable from dissociative shocks under suitable conditions of preshock density and shock velocity; such emission may prove to be a useful diagnostic probe of fast shock activity.

Direct observation of the lattice precursor of the metal-to-insulator transition in V2O3 thin films by surface acoustic waves

NASA Astrophysics Data System (ADS)

Kündel, J.; Pontiller, P.; Müller, C.; Obermeier, G.; Liu, Z.; Nateprov, A. A.; Hörner, A.; Wixforth, A.; Horn, S.; Tidecks, R.

2013-03-01

A surface acoustic wave (SAW) delay line is used to study the metal-to-insulator (MI) transition of V2O3 thin films deposited on a piezoelectric LiNbO3 substrate. Effects contributing to the sound velocity shift of the SAW which are caused by elastic properties of the lattice of the V2O3 films when changing the temperature are separated from those originating from the electrical conductivity. For this purpose the electric field accompanying the elastic wave of the SAW has been shielded by growing the V2O3 film on a thin metallic Cr interlayer (coated with Cr2O3), covering the piezoelectric substrate. Thus, the recently discovered lattice precursor of the MI transition can be directly observed in the experiments, and its fine structure can be investigated.

Spatiotemporal Modeling for Fine-Scale Maps of Regional Malaria Endemicity and Its Implications for Transitional Complexities in a Routine Surveillance Network in Western Cambodia

PubMed Central

Okami, Suguru; Kohtake, Naohiko

2017-01-01

Due to the associated and substantial efforts of many stakeholders involved in malaria containment, the disease burden of malaria has dramatically decreased in many malaria-endemic countries in recent years. Some decades after the past efforts of the global malaria eradication program, malaria elimination has again featured on the global health agenda. While risk distribution modeling and a mapping approach are effective tools to assist with the efficient allocation of limited health-care resources, these methods need some adjustment and reexamination in accordance with changes occurring in relation to malaria elimination. Limited available data, fine-scale data inaccessibility (for example, household or individual case data), and the lack of reliable data due to inefficiencies within the routine surveillance system, make it difficult to create reliable risk maps for decision-makers or health-care practitioners in the field. Furthermore, the risk of malaria may dynamically change due to various factors such as the progress of containment interventions and environmental changes. To address the complex and dynamic nature of situations in low-to-moderate malaria transmission settings, we built a spatiotemporal model of a standardized morbidity ratio (SMR) of malaria incidence, calculated through annual parasite incidence, using routinely reported surveillance data in combination with environmental indices such as remote sensing data, and the non-environmental regional containment status, to create fine-scale risk maps. A hierarchical Bayesian frame was employed to fit the transitioning malaria risk data onto the map. The model was set to estimate the SMRs of every study location at specific time intervals within its uncertainty range. Using the spatial interpolation of estimated SMRs at village level, we created fine-scale maps of two provinces in western Cambodia at specific time intervals. The maps presented different patterns of malaria risk distribution at specific time intervals. Moreover, the visualized weights estimated using the risk model, and the structure of the routine surveillance network, represent the transitional complexities emerging from ever-changing regional endemic situations. PMID:29034229

Treeline advances and associated shifts in the ground vegetation alter fine root dynamics and mycelia production in the South and Polar Urals.

PubMed

Solly, Emily F; Djukic, Ika; Moiseev, Pavel A; Andreyashkina, Nelly I; Devi, Nadezhda M; Göransson, Hans; Mazepa, Valeriy S; Shiyatov, Stepan G; Trubina, Marina R; Schweingruber, Fritz H; Wilmking, Martin; Hagedorn, Frank

2017-02-01

Climate warming is shifting the elevational boundary between forests and tundra upwards, but the related belowground responses are poorly understood. In the pristine South and Polar Urals with shifts of the treeline ecotone documented by historical photographs, we investigated fine root dynamics and production of extramatrical mycorrhizal mycelia (EMM) along four elevational transects reaching from the closed forest to the treeless tundra. In addition, we analysed elevational differences in climate and vegetation structure, and excavated trees to estimate related changes in the partitioning between below- and aboveground biomass. Fine root biomass of trees (<2 mm) increased by 13-79% with elevation, paralleled by a 35-72% increase in ground vegetation fine roots from the closed forest to the tundra. During the first year of decomposition, mass loss of fine root litter from different vegetation types was greater at lower elevations in the forest-tundra ecotone. The ratio between fine roots of trees and stem biomass largely increased with elevation in both regions, but these increases were not accompanied by a distinct production of EMM. Production of EMM, however, increased with the presence of ectomycorrhizal trees at the transition from the tundra to the forest. Our results imply that the recorded upward expansion of forest into former tundra in the Ural Mountains by 4-8 m per decade is decreasing the partitioning of plant biomass to fine roots. They further suggest that climate-driven forest advances will alter EMM production rates with potential feedbacks on soil carbon and nutrient cycling in these ecosystems.

Effects of Long-Duration Microgravity on Fine Motor Skills: ISS One-Year Mission

NASA Technical Reports Server (NTRS)

Holden, Kritina; Greene, Maya; Cross, Ernest

2017-01-01

Fine motor skills will be critical in future long-duration missions, particularly those skills needed to interact with advanced technologies in next-generation vehicles, spacesuits, and habitats. Studies to date on the effects of microgravity and gravitational transitions on fine motor performance have not yielded conclusive results. Datasets are incomplete-timeline gaps in the microgravity data sessions. Studies have not focused on the fine motor actions that are likely to be required for interacting with software displays and controls (pointing, clicking, dragging, multi-touch/pinching). The majority of studies have used a joystick or arm reaching task. Touchscreen tablets are already in use on ISS, and at least one commercial partner is already planning a cockpit with touchscreens as the primary means of input. We must ensure that crewmembers are ready to perform with computer-based devices after a long-duration voyage and transition to surface operations.

Growth Kinetics of Intracellular RNA/Protein Droplets: Signature of a Liquid-Liquid Phase Transition?

NASA Astrophysics Data System (ADS)

Berry, Joel; Weber, Stephanie C.; Vaidya, Nilesh; Zhu, Lian; Haataja, Mikko; Brangwynne, Clifford P.

2015-03-01

Nonmembrane-bound organelles are functional, dynamic assemblies of RNA and/or protein that can self-assemble and disassemble within the cytoplasm or nucleoplasm. The possibility that underlying intracellular phase transitions may drive and mediate the morphological evolution of some membrane-less organelles has been supported by several recent studies. In this talk, results from a collaborative experimental-theoretical study of the growth and dissolution kinetics of nucleoli and extranucleolar droplets (ENDs) in C. elegans embryos will be presented. We have employed Flory-Huggins solution theory, reaction-diffusion kinetics, and quantitative statistical dynamic scaling analysis to characterize the specific growth mechanisms at work. Our findings indicate that both in vivo and in vitro droplet scaling and growth kinetics are consistent with those resulting from an equilibrium liquid-liquid phase transition mediated by passive nonequilibrium growth mechanisms - simultaneous Brownian coalescence and Ostwald ripening. This supports a view in which cells can employ phase transitions to drive structural organization, while utilizing active processes, such as local transcriptional activity, to fine tune the kinetics of these phase transitions in response to given conditions.

How does dietary particle size affect carnivore gastrointestinal transit: A dog model.

PubMed

De Cuyper, A; Hesta, M; Tibosch, S; Wanke, C; Clauss, M; Janssens, G P J

2018-04-01

The effect of dietary particle size on gastrointestinal transit in carnivores has not been studied and might offer more insight into their digestive physiology. This study evaluated the effect of two dietary particle sizes (fine = 7.8 mm vs. coarse = 13 mm) of chunked day-old chicks on transit parameters in dogs. Six beagle dogs were fed both dietary treatments in a crossover design of 7 days with transit testing on the fifth day. Transit parameters were assessed using two markers, that is a wireless motility capsule (IntelliCap ® ) and titanium oxide (TiO 2 ). Dietary particle size did not affect gastric emptying time (GRT), small bowel transit time (SBTT), colonic transit time (CTT) and total transit time (aTTT) of the capsule (p > .05). There was no effect of dietary particle size on TiO 2 mean retention time (MRT) (p > .05). The time of last TiO 2 excretion (MaxRT) differed (p = .013) between diets, being later for the coarse diet. Both MRT (R = 0.617, p = .032) and MaxRT (R = 0.814; p = .001) were positively correlated to aTTT. The ratio MRT/aTTT tended towards a difference between diets (p = .059) with the coarse diet exceeding fine diet values. Results show that the difference between capsule measurements and TiO 2 is larger for the fine than the coarse diet suggesting that the capsule becomes more accurate when dietary particle size approaches marker size. Dietary particle size might have affected transit parameters but differences are too small to claim major physiological consequences. © 2017 Blackwell Verlag GmbH.

National fire-danger rating system fine-fuel moisture content tables—an Alaskan adaptation.

Treesearch

Richard J. Barney

1969-01-01

Fine-fuel moisture content tables, using dry bulb and dewpoint temperatures as entry data, have been developed for use with the National Fire-Danger Rating System in Alaska. Comparisons have been made which illustrate differences resulting from danger-rating calculations based on these new fine-fuel moisture content tables for the cured, transition, and green...

Satellite-Scale Snow Water Equivalent Assimilation into a High-Resolution Land Surface Model

NASA Technical Reports Server (NTRS)

De Lannoy, Gabrielle J.M.; Reichle, Rolf H.; Houser, Paul R.; Arsenault, Kristi R.; Verhoest, Niko E.C.; Paulwels, Valentijn R.N.

2009-01-01

An ensemble Kalman filter (EnKF) is used in a suite of synthetic experiments to assimilate coarse-scale (25 km) snow water equivalent (SWE) observations (typical of satellite retrievals) into fine-scale (1 km) model simulations. Coarse-scale observations are assimilated directly using an observation operator for mapping between the coarse and fine scales or, alternatively, after disaggregation (re-gridding) to the fine-scale model resolution prior to data assimilation. In either case observations are assimilated either simultaneously or independently for each location. Results indicate that assimilating disaggregated fine-scale observations independently (method 1D-F1) is less efficient than assimilating a collection of neighboring disaggregated observations (method 3D-Fm). Direct assimilation of coarse-scale observations is superior to a priori disaggregation. Independent assimilation of individual coarse-scale observations (method 3D-C1) can bring the overall mean analyzed field close to the truth, but does not necessarily improve estimates of the fine-scale structure. There is a clear benefit to simultaneously assimilating multiple coarse-scale observations (method 3D-Cm) even as the entire domain is observed, indicating that underlying spatial error correlations can be exploited to improve SWE estimates. Method 3D-Cm avoids artificial transitions at the coarse observation pixel boundaries and can reduce the RMSE by 60% when compared to the open loop in this study.

Synthesis, characterization, and physical properties of 1D nanostructures

NASA Astrophysics Data System (ADS)

Marley, Peter Mchael

The roster of materials exhibiting metal---insulator transitions with sharply discontinuous switching of electrical conductivity close to room temperature remains rather sparse despite the fundamental interest in the electronic instabilities manifested in such materials and the plethora of potential technological applications, ranging from frequency-agile metamaterials to electrochromic coatings and Mott field-effect transistors. Vanadium oxide bronzes with the general formula MxV2O 5, provide a wealth of compositions and frameworks where strong electron correlation can be systematically (albeit thus far only empirically) tuned. Charge fluctuations along the quasi-1D frameworks of MxV 2O5 bronzes have evinced much recent interest owing to the manifestation of colossal metal---insulator transitions and superconductivity. We start with a general review on the phase transitions, both electronic and structural, of vanadium oxide bronzes in Chapter 1. In Chapter 2, we demonstrate an unprecedented reversible transformation between double-layered (delta) and tunnel (beta) quasi-1D geometries for nanowires of a divalent vanadium bronze CaxV2O5 (x ˜0.23) upon annealing-induced dehydration and hydrothermally-induced hydration. Such a facile hydration/dehydration-induced interconversion between two prominent quasi-1D structures (accompanied by a change in charge ordering motifs) has not been observed in the bulk and is posited to result from the ease of propagation of crystallographic slip processes across the confined nanowire widths for the delta→beta conversion and the facile diffusion of water molecules within the tunnel geometries for the beta→delta reversion. We demonstrate in Chapter 3 unprecedented pronounced metal-insulator transitions induced by application of a voltage for nanowires of a vanadium oxide bronze with intercalated divalent cations, beta-PbxV 2O5 (x ˜0.33). The induction of the phase transition through application of an electric field at room temperature makes this system particularly attractive and viable for technological applications. A mechanistic basis for the phase transition is proposed based on charge disproportionation evidenced at room temperature in near-edge X-ray absorption fine structure (NEXAFS) spectroscopy measurements, ab initio density functional theory calculations of the band structure, and electrical transport data suggesting that transformation to the metallic state is induced by melting of specific charge localization and ordering motifs extant in these materials. In Chapter 4, we report the synthesis of single-crystalline delta-Ag 0.88V2O5 nanowires and unravel pronounced electronic phase transitions induced in response to temperature and applied electric field. Specifically, a pronounced semiconductor---semiconductor transition is evidenced for these materials at ca. 150 K upon heating and a distinctive insulator---conductor transition is observed upon application of an in-plane voltage. An orbital-specific picture of the mechanistic basis of the phase transitions is proposed using a combination of density functional theory (DFT) and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy. Structural refinements above and below the transition temperature, angle-resolved O K-edge NEXAFS spectra, and DFT calculations suggest that the electronic phase transitions in these 2D frameworks are mediated by a change in the overlap of d xy orbitals. The classical orthorhombic layered phase of V2O5 has long been regarded as the thermodynamic sink for binary vanadium oxides and has found great practical utility as a result of its open framework and easily accessible redox states. Concluding with Chapter 5, we exploit a cation-exchange mechanism to synthesize a new stable tunnel-structured polymorph of V 2O5 (zeta-V2O5) and demonstrate the subsequent ability of this framework to accommodate Li and Mg ions. The facile extraction and insertion of cations and stabilization of the novel tunnel framework is facilitated by the nanometer-sized dimensions of the materials, which leads to accommodation of strain without amorphization. The topotactic approach demonstrated here indicates not just novel intercalation chemistry accessible at nanoscale dimensions but also suggests a facile synthetic route to ternary vanadium oxide bronzes (MxV2O 5) exhibiting intriguing physical properties that range from electronic phase transitions to charge ordering and superconductivity.

SEM Analysis of the Interfacial Transition Zone between Cement-Glass Powder Paste and Aggregate of Mortar under Microwave Curing

PubMed Central

Kong, Yaning; Wang, Peiming; Liu, Shuhua; Zhao, Guorong; Peng, Yu

2016-01-01

In order to investigate the effects of microwave curing on the microstructure of the interfacial transition zone of mortar prepared with a composite binder containing glass powder and to explain the mechanism of microwave curing on the improvement of compressive strength, in this study, the compressive strength of mortar under microwave curing was compared against mortar cured using (a) normal curing at 20 ± 1 °C with relative humidity (RH) > 90%; (b) steam curing at 40 °C for 10 h; and (c) steam curing at 80 °C for 4 h. The microstructure of the interfacial transition zone of mortar under the four curing regimes was analyzed by Scanning electron microscopy (SEM). The results showed that the improvement of the compressive strength of mortar under microwave curing can be attributed to the amelioration of the microstructure of the interfacial transition zone. The hydration degree of cement is accelerated by the thermal effect of microwave curing and Na+ partially dissolved from the fine glass powder to form more reticular calcium silicate hydrate, which connects the aggregate, calcium hydroxide, and non-hydrated cement and glass powder into a denser integral structure. In addition, a more stable triangular structure of calcium hydroxide contributes to the improvement of compressive strength. PMID:28773854

SEM Analysis of the Interfacial Transition Zone between Cement-Glass Powder Paste and Aggregate of Mortar under Microwave Curing.

PubMed

Kong, Yaning; Wang, Peiming; Liu, Shuhua; Zhao, Guorong; Peng, Yu

2016-08-27

In order to investigate the effects of microwave curing on the microstructure of the interfacial transition zone of mortar prepared with a composite binder containing glass powder and to explain the mechanism of microwave curing on the improvement of compressive strength, in this study, the compressive strength of mortar under microwave curing was compared against mortar cured using (a) normal curing at 20 ± 1 °C with relative humidity (RH) > 90%; (b) steam curing at 40 °C for 10 h; and (c) steam curing at 80 °C for 4 h. The microstructure of the interfacial transition zone of mortar under the four curing regimes was analyzed by Scanning electron microscopy (SEM). The results showed that the improvement of the compressive strength of mortar under microwave curing can be attributed to the amelioration of the microstructure of the interfacial transition zone. The hydration degree of cement is accelerated by the thermal effect of microwave curing and Na⁺ partially dissolved from the fine glass powder to form more reticular calcium silicate hydrate, which connects the aggregate, calcium hydroxide, and non-hydrated cement and glass powder into a denser integral structure. In addition, a more stable triangular structure of calcium hydroxide contributes to the improvement of compressive strength.

Electron impact excitation of N IV: calculations with the DARC code and a comparison with ICFT results

NASA Astrophysics Data System (ADS)

Aggarwal, K. M.; Keenan, F. P.; Lawson, K. D.

2016-10-01

There have been discussions in the recent literature regarding the accuracy of the available electron impact excitation rates (equivalently effective collision strengths Υ) for transitions in Be-like ions. In the present paper we demonstrate, once again, that earlier results for Υ are indeed overestimated (by up to four orders of magnitude), for over 40 per cent of transitions and over a wide range of temperatures. To do this we have performed two sets of calculations for N IV, with two different model sizes consisting of 166 and 238 fine-structure energy levels. As in our previous work, for the determination of atomic structure the GRASP (General-purpose Relativistic Atomic Structure Package) is adopted and for the scattering calculations (the standard and parallelised versions of) the Dirac Atomic R-matrix Code (DARC) are employed. Calculations for collision strengths and effective collision strengths have been performed over a wide range of energy (up to 45 Ryd) and temperature (up to 2.0 × 106 K), useful for applications in a variety of plasmas. Corresponding results for energy levels, lifetimes and A-values for all E1, E2, M1 and M2 transitions among 238 levels of N IV are also reported.

Revealing Anisotropic Spinel Formation on Pristine Li- and Mn-Rich Layered Oxide Surface and Its Impact on Cathode Performance

DOE PAGES

Kuppan, Saravanan; Shukla, Alpesh Khushalchand; Membreno, Daniel; ...

2017-01-06

Surface properties of cathode particles play important roles in the transport of ions and electrons and they may ultimately dominate cathode's performance and stability in lithium-ion batteries. Through the use of carefully prepared Li 1.2Ni 0.13Mn 0.54Co 0.13O 2 crystal samples with six distinct morphologies, surface transition-metal redox activities and crystal structural transformation are investigated as a function of surface area and surface crystalline orientation. Complementary depth-profiled core-level spectroscopy, namely, X-ray absorption spectroscopy, electron energy loss spectroscopy, and atomic-resolution scanning transmission electron microscopy, are applied in the study, presenting a fine example of combining advanced diagnostic techniques with a well-definedmore » model system of battery materials. Here, we report the following findings: (1) a thin layer of defective spinel with reduced transition metals, similar to what is reported on cycled conventional secondary particles in the literature, is found on pristine oxide surface even before cycling, and (2) surface crystal structure and chemical composition of both pristine and cycled particles are facet dependent. Oxide structural and cycling stabilities improve with maximum expression of surface facets stable against transition-metal reduction. Finally, the intricate relationships among morphology, surface reactivity and structural transformation, electrochemical performance, and stability of the cathode materials are revealed.« less

A theoretical and experimental benchmark study of core-excited states in nitrogen

NASA Astrophysics Data System (ADS)

Myhre, Rolf H.; Wolf, Thomas J. A.; Cheng, Lan; Nandi, Saikat; Coriani, Sonia; Gühr, Markus; Koch, Henrik

2018-02-01

The high resolution near edge X-ray absorption fine structure spectrum of nitrogen displays the vibrational structure of the core-excited states. This makes nitrogen well suited for assessing the accuracy of different electronic structure methods for core excitations. We report high resolution experimental measurements performed at the SOLEIL synchrotron facility. These are compared with theoretical spectra calculated using coupled cluster theory and algebraic diagrammatic construction theory. The coupled cluster singles and doubles with perturbative triples model known as CC3 is shown to accurately reproduce the experimental excitation energies as well as the spacing of the vibrational transitions. The computational results are also shown to be systematically improved within the coupled cluster hierarchy, with the coupled cluster singles, doubles, triples, and quadruples method faithfully reproducing the experimental vibrational structure.

Long- and Short-Range Structure of Ferrimagnetic Iron-Chromium Maghemites.

PubMed

García-Guaderrama, Marco; Montero-Cabrera, María E; Morán, Emilio; Alario-Franco, Miguel A; Fuentes-Cobas, Luis E; Macías-Ríos, Edgar; Esparza-Ponce, Hilda E; Fuentes-Montero, María E

2015-12-07

Maghemite-like materials containing Fe(3+) and Cr(3+) in comparable amounts have been prepared by solution-combustion synthesis. The conditions of synthesis and the magnetic properties are described. These materials are ferrimagnetic and are much more stable than pure iron maghemite since their maghemite-hematite transformation takes place at about ∼ 700 °C instead of ∼ 300 °C, as usually reported. These materials were studied by synchrotron radiation X-ray diffraction (XRD) and by X-ray absorption fine structure (XAFS) of the K-absorption edge of two elements. High-resolution XRD patterns were processed by means of the Rietveld method. Thus, maghemites were studied by XAFS in both Fe and Cr K-edges to clarify the short-range structure of the investigated systems. Pre-edge decomposition and theoretical modeling of X-ray absorption near edge structure transitions were performed. The extended X-ray absorption fine structure (EXAFS) spectra were fitted considering the facts that the central atom of Fe is able to occupy octahedral and tetrahedral sites, each with a weight adjustment, while Cr occupies only octahedral sites. Interatomic distances were determined for x = 1, by fitting simultaneously both Fe and Cr K-edges average EXAFS spectra. The results showed that the cation vacancies tend to follow a regular pattern within the structure of the iron-chromium maghemite (FeCrO3).

Electronic structure of the Cu + impurity center in sodium chloride

NASA Astrophysics Data System (ADS)

Chermette, H.; Pedrini, C.

1981-08-01

The multiple-scattering Xα method is used to describe the electronic structure of Cu+ in sodium chloride. Several improvements are brought to the conventional Xα calculation. In particular, the cluster approximation is used by taking into account external lattice potential. The ''transition state'' procedure is applied in order to get the various multiplet levels. The fine electronic structure of the impurity centers is obtained after a calculation of the spin-orbit interactions. These results are compared with those given by a modified charge-consistent extended Hückel method (Fenske-type calculation) and the merit of each method is discussed. The present calculation produces good quantitative agreement with experiment concerning mainly the optical excitations and the emission mechanism of the Cu+ luminescent centers in NaCl.

Hyperfine Structure in the Pure Rotational Spectrum of 208Pb35Cl

NASA Astrophysics Data System (ADS)

Dewberry, Christopher T.; Grubbs, Garry S., II; Etchison, Kerry C.; Cooke, Stephen A.

2010-06-01

Initially in our laboratory the pure rotational spectrum of the title molecule was studied using a Balle-Flygare Fourier transform microwave spectrometer. Analysis was troublesome and so the spectrum was remeasured using a chirped pulse Fourier transform microwave (CP-FTMW) spectrometer. The correct intensity aspect of the CP-FTMW experiment allowed successful quantum number assignments for the hyperfine structure for the correct isotopologue. Spectroscopic constants have been obtained from a fit to a data set consisting of our measurements combined with those of a prior study on the X_2^2Π3/2 → X_1^2Π_{1/2 fine structure transitions. K. Ziebarth, K. D. Setzer, O. Shestakov and E. H. Fink J. Mol. Spectrosc., 191 108, 1998.

Structural investigations in helium charged titanium films using grazing incidence XRD and EXAFS spectroscopy

NASA Astrophysics Data System (ADS)

Wan, Chubin; Zhou, Xiaosong; Wang, Yuting; Li, Shina; Ju, Xin; Peng, Shuming

2014-01-01

The crystal structure and local atomic arrangements surrounding Ti atoms were determined for He-charged hexagonal close-packed (hcp) Ti films and measured at glancing angles by synchrotron radiation X-ray diffraction (XRD) and extended X-ray absorption fine structure (EXAFS) spectroscopy, respectively. The charged specimens were prepared by direct current magnetron sputtering with a He/Ar mixture. He atoms with a relatively medium concentration (He/Ti atomic ratio as high as 17 at.%) were incorporated evenly in the deposited films. XRD results showed the changes in the peak intensities in Ti films with different He contents. EXAFS Fourier Transform analysis indicated that the average Ti-Ti distance decreased significantly, and proved the existence of phase transition.

Acoustic fine structure may encode biologically relevant information for zebra finches.

PubMed

Prior, Nora H; Smith, Edward; Lawson, Shelby; Ball, Gregory F; Dooling, Robert J

2018-04-18

The ability to discriminate changes in the fine structure of complex sounds is well developed in birds. However, the precise limit of this discrimination ability and how it is used in the context of natural communication remains unclear. Here we describe natural variability in acoustic fine structure of male and female zebra finch calls. Results from psychoacoustic experiments demonstrate that zebra finches are able to discriminate extremely small differences in fine structure, which are on the order of the variation in acoustic fine structure that is present in their vocal signals. Results from signal analysis methods also suggest that acoustic fine structure may carry information that distinguishes between biologically relevant categories including sex, call type and individual identity. Combined, our results are consistent with the hypothesis that zebra finches can encode biologically relevant information within the fine structure of their calls. This study provides a foundation for our understanding of how acoustic fine structure may be involved in animal communication.

Prominence and tornado dynamics observed with IRIS and THEMIS

NASA Astrophysics Data System (ADS)

Schmieder, Brigitte; Levens, Peter; Labrosse, Nicolas; Mein, Pierre; Lopez Ariste, Arturo; Zapior, Maciek

2017-08-01

Several prominences were observed during campaigns in September 2013 and July 2014 with the IRIS spectrometer and the vector magnetograph THEMIS (Tenerife). SDO/AIA and IRIS provided images and spectra of prominences and tornadoes corresponding to different physical conditions of the transition region between the cool plasma and the corona. The vector magnetic field was derived from THEMIS observations by using the He D3 depolarisation due to the magnetic field. The inversion code (PCA) takes into account the Hanle and Zeeman effects and allows us to compute the strength and the inclination of the magnetic field which is shown to be mostly horizontal in prominences as well as in tornadoes. Movies from SDO/AIA in 304 A and Hinode/SOT in Ca II show the highly dynamic nature of the fine structures. From spectra in Mg II and Si IV lines provided by IRIS and H-alpha observed by the Multi-channel Subtractive Double Pass (MSDP) spectrograph in the Meudon Solar Tower we derived the Doppler shifts of the fine structures and reconstructed the 3D structure of tornadoes. We conclude that the apparent rotation of AIA tornadoes is due to large-scale quasi-periodic oscillations of the plasma along more or less horizontal magnetic structures.

Relationships between surface coverage ratio and powder mechanics of binary adhesive mixtures for dry powder inhalers.

PubMed

Rudén, Jonas; Frenning, Göran; Bramer, Tobias; Thalberg, Kyrre; Alderborn, Göran

2018-04-25

The aim of this paper was to study relationships between the content of fine particles and the powder mechanics of binary adhesive mixtures and link these relationships to the blend state. Mixtures with increasing amounts of fine particles (increasing surface coverage ratios (SCR)) were prepared using Lactopress SD as carrier and micro particles of lactose as fines (2.7 µm). Indicators of unsettled bulk density, compressibility and flowability were derived and the blend state was visually examined by imaging. The powder properties studied showed relationships to the SCR characterised by stages. At low SCR, the fine particles predominantly gathered in cavities of the carriers, giving increased bulk density and unchanged or improved flow. Thereafter, increased SCR gave a deposition of particles at the enveloped carrier surface with a gradually more irregular adhesion layer leading to a reduced bulk density and a step-wise reduced flowability. The mechanics of the mixtures at a certain stage were dependent on the structure and the dynamics of the adhesion layer and transitions between the stages were controlled by the evolution of the adhesion layer. It is advisable to use techniques based on different types of flow in order to comprehensively study the mechanics of adhesive mixtures. Copyright © 2018 Elsevier B.V. All rights reserved.

Magnetic field and radiative transfer modelling of a quiescent prominence

NASA Astrophysics Data System (ADS)

Gunár, S.; Schwartz, P.; Dudík, J.; Schmieder, B.; Heinzel, P.; Jurčák, J.

2014-07-01

Aims: The aim of this work is to analyse the multi-instrument observations of the June 22, 2010 prominence to study its structure in detail, including the prominence-corona transition region and the dark bubble located below the prominence body. Methods: We combined results of the 3D magnetic field modelling with 2D prominence fine structure radiative transfer models to fully exploit the available observations. Results: The 3D linear force-free field model with the unsheared bipole reproduces the morphology of the analysed prominence reasonably well, thus providing useful information about its magnetic field configuration and the location of the magnetic dips. The 2D models of the prominence fine structures provide a good representation of the local plasma configuration in the region dominated by the quasi-vertical threads. However, the low observed Lyman-α central intensities and the morphology of the analysed prominence suggest that its upper central part is not directly illuminated from the solar surface. Conclusions: This multi-disciplinary prominence study allows us to argue that a large part of the prominence-corona transition region plasma can be located inside the magnetic dips in small-scale features that surround the cool prominence material located in the dip centre. We also argue that the dark prominence bubbles can be formed because of perturbations of the prominence magnetic field by parasitic bipoles, causing them to be devoid of the magnetic dips. Magnetic dips, however, form thin layers that surround these bubbles, which might explain the occurrence of the cool prominence material in the lines of sight intersecting the prominence bubbles. Movie and Appendix A are available in electronic form at http://www.aanda.org

Experimental and Theoretical Investigations on d and f Electron Systems under High Pressure

NASA Astrophysics Data System (ADS)

Gupta, Satish C.; Joshi, K. D.; Banerjee, S.

2008-07-01

The pressure-induced electron transfer from sp to d band in transition elements, and spd to f band in the light actinides significantly influences the stability of crystal structures in these metals. Although α → ω → β phase transition with increasing pressure in group IV transition elements is well documented, the β → ω transition under pressure has not been reported until recently. Our experimental study on the β-stabilized Zr-20Nb alloy reveals that it transforms to ω phase on shock compression, whereas this transition is not seen in a hydrostatic pressure condition. The platelike morphology of ω formed under shock compression is in contrast to the fine particle morphology seen in this system under thermal treatment, which clearly indicates that the mechanism of the β → ω transformation under shock treatment involves a large shear component. In this article, we have analyzed why the ω → β transition pressures in Ti, Zr, and Hf do not follow the trend implied by the principle of corresponding states. Our analysis shows that the ω → β transition depends on how the increased d population caused by the sp → d transfer of electron is distributed among various d substates. In Th, we have analyzed the role of 5f electrons in determining the mechanical stability of fcc and bct structures under hydrostatic compressions. Our analysis shows that the fcc to bct transition in this metal, which has been reported by high-pressure experiments, occurs because of softening of the tetragonal shear modulus C' = ( C 11 - C 12)/2 under compression. From the total energy calculated as a function of specific volume, we have determined the 0 K isotherm, which is then used to deduce the shock Hugoniot. The theoretical Hugoniot compares well with the experimental data.

Precision atomic spectroscopy for improved limits on variation of the fine structure constant and local position invariance.

PubMed

Fortier, T M; Ashby, N; Bergquist, J C; Delaney, M J; Diddams, S A; Heavner, T P; Hollberg, L; Itano, W M; Jefferts, S R; Kim, K; Levi, F; Lorini, L; Oskay, W H; Parker, T E; Shirley, J; Stalnaker, J E

2007-02-16

We report tests of local position invariance and the variation of fundamental constants from measurements of the frequency ratio of the 282-nm 199Hg+ optical clock transition to the ground state hyperfine splitting in 133Cs. Analysis of the frequency ratio of the two clocks, extending over 6 yr at NIST, is used to place a limit on its fractional variation of <5.8x10(-6) per change in normalized solar gravitational potential. The same frequency ratio is also used to obtain 20-fold improvement over previous limits on the fractional variation of the fine structure constant of |alpha/alpha|<1.3x10(-16) yr-1, assuming invariance of other fundamental constants. Comparisons of our results with those previously reported for the absolute optical frequency measurements in H and 171Yb+ vs other 133Cs standards yield a coupled constraint of -1.5x10(-15)

A wavelet analysis for the X-ray absorption spectra of molecules

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

Penfold, T. J.; Ecole polytechnique Federale de Lausanne, Laboratoire de chimie et biochimie computationnelles, ISIC, FSB-BCH, CH-1015 Lausanne; SwissFEL, Paul Scherrer Inst, CH-5232 Villigen

2013-01-07

We present a Wavelet transform analysis for the X-ray absorption spectra of molecules. In contrast to the traditionally used Fourier transform approach, this analysis yields a 2D correlation plot in both R- and k-space. As a consequence, it is possible to distinguish between different scattering pathways at the same distance from the absorbing atom and between the contributions of single and multiple scattering events, making an unambiguous assignment of the fine structure oscillations for complex systems possible. We apply this to two previously studied transition metal complexes, namely iron hexacyanide in both its ferric and ferrous form, and a rheniummore » diimine complex, [ReX(CO){sub 3}(bpy)], where X = Br, Cl, or ethyl pyridine (Etpy). Our results demonstrate the potential advantages of using this approach and they highlight the importance of multiple scattering, and specifically the focusing phenomenon to the extended X-ray absorption fine structure (EXAFS) spectra of these complexes. We also shed light on the low sensitivity of the EXAFS spectrum to the Re-X scattering pathway.« less

Experimental study of the effect of grain sizes in a bimodal mixture on bed slope, bed texture, and the transition to washload

NASA Astrophysics Data System (ADS)

Hill, Kimberly M.; Gaffney, John; Baumgardner, Sarah; Wilcock, Peter; Paola, Chris

2017-01-01

When fine sediment is added to a coarse-grained system, the mobility and composition of the bed can change dramatically. We conducted a series of flume experiments to determine how the size of fine particles introduced to an active gravel bed influences the mobility and composition of the bed. We initiated our experiments using a constant water discharge and feed rate of gravel. After the system reached steady state, we doubled the feed rate by supplying a second sediment of equal or lesser size, creating size ratios from 1:1 to 1:150. As we decreased the relative size of the fine particles, the system transitioned among three regimes: (1) For particle size ratios close to one, the bed slope increased to transport the additional load of similar-sized particles. The bed surface remained planar and unchanged. (2) For intermediate particle size ratios, the bed slope decreased with the additional fines. The bed surface became patchy with regions of fine and coarse grains. (3) For the largest particle size ratios (the smallest fines), the bed slope remained relatively unchanged. The subsurface became clogged with fine sediment, but fine particles were not present in the surface layer. This third regime constitutes washload, defined by those fractions that do not affect bed-material transport conditions. Our results indicate washload should be defined in terms of three conditions: small grain size relative to that of the bed material, full suspension based on the Rouse number, and a small rate of fine sediment supply relative to transport capacity.

Research investigation directed toward extending the useful range of the electromagnetic spectrum

NASA Technical Reports Server (NTRS)

Hartmann, S. R.

1971-01-01

The lifetimes and fine structure of He(-) were studied using time-of-flight techniques and quenching by a static axial magnetic field. Using level-crossing spectroscopy the hyperfine constants A and B and the lifetime of the 3 2P3/2 state of Li-7 were measured. Polarization of the Ru 7S level was created as a first step in determining the hyperfine structure of the alkali excited S state. The parametric interaction between light and microwaves in optically pumped Rb-87 vapor were investigated. Measurements and analyses of transitions in formaldehyde and its isotopic species and in the lowest two excited vibrational states of H2CO were also made, as well as of transitions in furan, pyrrole, formic acid, and cyanoacetylene. The Hanle effect was studied in the NO molecule, and RF oscillators were developed with flat, wideband output to observe excited state hyperfine transitions at zero field. Data was generated on the time-dependent behavior of photon echoes in ruby. Stimulated Raman scattering was studied in atomic Tl vapor. A Q switched, temperature-tuned ruby laser was developed which operates between 6934 and 6938 A. The frequency shift due to resonant interaction between identical radiating atoms was calculated.

Deciphering fine molecular details of proteins' structure and function with a Protein Surface Topography (PST) method.

PubMed

Koromyslova, Anna D; Chugunov, Anton O; Efremov, Roman G

2014-04-28

Molecular surfaces are the key players in biomolecular recognition and interactions. Nowadays, it is trivial to visualize a molecular surface and surface-distributed properties in three-dimensional space. However, such a representation trends to be biased and ambiguous in case of thorough analysis. We present a new method to create 2D spherical projection maps of entire protein surfaces and manipulate with them--protein surface topography (PST). It permits visualization and thoughtful analysis of surface properties. PST helps to easily portray conformational transitions, analyze proteins' properties and their dynamic behavior, improve docking performance, and reveal common patterns and dissimilarities in molecular surfaces of related bioactive peptides. This paper describes basic usage of PST with an example of small G-proteins conformational transitions, mapping of caspase-1 intersubunit interface, and intrinsic "complementarity" in the conotoxin-acetylcholine binding protein complex. We suggest that PST is a beneficial approach for structure-function studies of bioactive peptides and small proteins.

Measurement of the transition probability of the C III 190.9 nanometer intersystem line

NASA Technical Reports Server (NTRS)

Kwong, Victor H. S.; Fang, Z.; Gibbons, T. T.; Parkinson, W. H.; Smith, Peter L.

1993-01-01

A radio-frequency ion trap has been used to store C(2+) ions created by electron bombardment of CO. The transition probability for the 2s2p 3Po1-2s2 1S0 intersystem line of C m has been measured by recording the radiative decay at 190.9 nm. The measured A-value is 121 +/- 7/s and agrees, within mutual uncertainty limits, with that of Laughlin et al. (1978), but is 20 percent larger than that of Nussbaumer and Storey (1978). The effective collision mixing rate coefficient among the fine structure levels of 3Po and the combined quenching and charge transfer rate coefficients out of the 3Po1 level with the CO source gas have also been measured.

On the role of atomic metastability in the production of Balmer line radiation from ‘cold’ atomic hydrogen, deuterium and hydrogenic ion impurities in fusion edge plasmas

NASA Astrophysics Data System (ADS)

Hey, J. D.

2012-03-01

Published arguments, which assign an important role to atomic metastability in the production of ‘narrow’ Zeeman component radiation from the boundary region of fusion plasmas, are examined critically in relation to l-redistribution by proton and electron collisions, and mixing of unperturbed atomic states by the ion microfield and microfield gradient. It is concluded that these important processes indeed severely constrain the contribution from ‘metastable’ states to the generation of the hydrogen Balmer spectra, for electron concentrations above 1012 cm-3, as pointed out before by the present author (Hey et al 1999 J. Phys. B: At. Mol. Opt. Phys. 32 3555). The analysis of collision-induced l-redistribution represents an extension of that used previously (Hey et al 1996 Contrib. Plasma Phys. 36 583), applicable up to higher electron densities. For comparison purposes, we also consider the question of metastability of ionized helium in a low-temperature plasma, and that of some common hydrogenic impurities (C5+ and Ne9+) in a hydrogen (deuterium) fusion plasma. While for low nuclear charge Z the metastability of 2s1/2 levels is quenched by the plasma environment, it is much reduced in high-Z ions owing to the rapid increase with Z of the two-photon electric dipole (2E1) and magnetic dipole (M1) spontaneous transition rates to the ground state, whereas the role of the plasma in these cases is less important. The main new principle elaborated in this work is the sensitivity of atomic line strengths, and hence collision strengths, to perturbation by the plasma environment for transitions between fine-structure sublevels of the same principal quantum number. As the plasma microfield strength grows, ‘allowed’ transitions diminish in strength, while ‘forbidden’ transitions grow. However, owing to violation of the parity selection rule, there is an overall loss of collision strength available to transitions, resulting from the appearance of significant ‘self-strength’ contributions, in accord with the sum rules for the line strengths, which remain valid over the range of fields considered. Thus, the relative effectiveness per perturber of both electron and ion collisions, for inducing population transfer between fine-structure sublevels, diminishes as the sublevels evolve from a fine-structure dominated to a Stark-effect-dominated regime. In the concluding discussion, we mention that this finding may have a bearing on discrepancies claimed between Stark broadening theory developed by Griem (1967 Astrophys. J. 148 547) and by Watson (2006 J. Phys.B: At. Mol. Opt. Phys. 39 1889), and the measurements of Bell and co-workers (2000 Publ. Astron. Soc. Pac. 112 1236; 2011 Astrophys. Space Sci. 335 451) for high-n radio recombination lines from galactic H II regions. In the absence of detailed modelling to test this suggestion, however, it would be premature to attempt to draw any firm conclusions along these lines. This manuscript is dedicated to the memory of my esteemed colleague Dr. rer. nat. Manfred Korten (1940-2010).

Experimental Report: ORNL Proposal ID IPTS 8937

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

Mirmelstein, A.

2014-02-03

Neutron scattering experiment was performed using fine-resolution Fermi chopper spectrometer “SEQUOIA” installed at the Spallation Neutron Source, ORNL. Although this spectrometer is designed to measure inelastic neutron scattering spectra, during experiments a signal of elastic scattering is also recorded. The coherent nuclear component of this elastic scattering provides Bragg diffraction pattern of a sample, i.e., CeNi single crystal in our case. Therefore, it is possible to follow the CeNi structural variations as a function of pressure and to register structural phase transition. Measurements were performed at the temperature of 15 K under pressure of zero (ambient pressure at 15 K),more » 400, 800, and 2200 bars.« less

Atomic-scale distortion of optically activated Sm dopants identified with site-selective X-ray absorption spectroscopy

NASA Astrophysics Data System (ADS)

Ishii, Masashi; Crowe, Iain F.; Halsall, Matthew P.; Hamilton, Bruce; Hu, Yongfeng; Sham, Tsun-Kong; Harako, Susumu; Zhao, Xin-Wei; Komuro, Shuji

2013-10-01

The local structure of luminescent Sm dopants was investigated using an X-ray absorption fine-structure technique with X-ray-excited optical luminescence. Because this technique evaluates X-ray absorption from luminescence, only optically active sites are analyzed. The Sm L3 near-edge spectrum contains split 5d states and a shake-up transition that are specific to luminescent Sm. Theoretical calculations using cluster models identified an atomic-scale distortion that can reproduce the split 5d states. The model with C4v local symmetry and compressive bond length of Sm-O of a six-fold oxygen (SmO6) cluster is most consistent with the experimental results.

Two-photon Direct Frequency Comb Spectroscopy of Alkali Atoms

NASA Astrophysics Data System (ADS)

Nguyen, Khoa; Pradhananga, Trinity; Palm, Christopher; Stalnaker, Jason; Kimball, Derek Jackson

2012-06-01

We are using direct frequency comb spectroscopy to study transition frequencies and excited state hyperfine structure in potassium and rubidium using 2-photon transitions excited directly with the frequency-doubled output of a erbium fiber optical frequency comb. The frequency comb output is directed in two counterpropagating directions through a vapor cell containing the atomic vapor of interest. A pair of optical filters is used to select teeth of the comb in order to identify the transition wavelengths. A photomultiplier tube (PMT) measures fluorescence from a decay channel wavelength selected with another optical filter. Using different combinations of filters enables a wide range of transitions to be investigated. By scanning the repetition rate, a Doppler-free spectrum can be obtained enabling kHz-resolution spectral measurements. The thermal motion of the atoms in the vapor cell actually eliminates the need to fine-tune the offset frequency and repetition rate, alleviating a somewhat challenging requirement for spectroscopy of cold atoms. Our investigations are laying the groundwork for a long-term research program to use direct frequency comb spectroscopy to understand the complex spectra of rare-earth atoms.

Direct Frequency Comb Spectroscopy of Alkali Atoms

NASA Astrophysics Data System (ADS)

Pradhananga, Trinity; Palm, Christopher; Nguyen, Khoa; Guttikonda, Srikanth; Kimball, Derek Jackson

2011-11-01

We are using direct frequency comb spectroscopy to study transition frequencies and excited state hyperfine structure in potassium and rubidium using 2-photon transitions excited directly with the frequency-doubled output of a erbium fiber optical frequency comb. The frequency comb output is directed in two counterpropagating directions through a vapor cell containing the atomic vapor of interest. A pair of optical filters is used to select teeth of the comb in order to identify the transition wavelengths. A photomultiplier tube (PMT) measures fluorescence from a decay channel wavelength selected with another optical filter. Using different combinations of filters enables a wide range of transitions to be investigated. By scanning the repetition rate, a Doppler-free spectrum can be obtained enabling kHz-resolution spectral measurements. The thermal motion of the atoms in the vapor cell actually eliminates the need to fine-tune the offset frequency and repetition rate, alleviating a somewhat challenging requirement for spectroscopy of cold atoms. Our investigations are laying the groundwork for a long-term research program to use direct frequency comb spectroscopy to understand the complex spectra of rare-earth atoms.

Optimizing the fine lock performance of the Hubble Space Telescope fine guidance sensors

NASA Technical Reports Server (NTRS)

Eaton, David J.; Whittlesey, Richard; Abramowicz-Reed, Linda; Zarba, Robert

1993-01-01

This paper summarizes the on-orbit performance to date of the three Hubble Space Telescope Fine Guidance Sensors (FGS's) in Fine Lock mode, with respect to acquisition success rate, ability to maintain lock, and star brightness range. The process of optimizing Fine Lock performance, including the reasoning underlying the adjustment of uplink parameters, and the effects of optimization are described. The Fine Lock optimization process has combined theoretical and experimental approaches. Computer models of the FGS have improved understanding of the effects of uplink parameters and fine error averaging on the ability of the FGS to acquire stars and maintain lock. Empirical data have determined the variation of the interferometric error characteristics (so-called 's-curves') between FGS's and over each FGS field of view, identified binary stars, and quantified the systematic error in Coarse Track (the mode preceding Fine Lock). On the basis of these empirical data, the values of the uplink parameters can be selected more precisely. Since launch, optimization efforts have improved FGS Fine Lock performance, particularly acquisition, which now enjoys a nearly 100 percent success rate. More recent work has been directed towards improving FGS tolerance of two conditions that exceed its original design requirements. First, large amplitude spacecraft jitter is induced by solar panel vibrations following day/night transitions. This jitter is generally much greater than the FGS's were designed to track, and while the tracking ability of the FGS's has been shown to exceed design requirements, losses of Fine Lock after day/night transitions are frequent. Computer simulations have demonstrated a potential improvement in Fine Lock tracking of vehicle jitter near terminator crossings. Second, telescope spherical aberration degrades the interferometric error signal in Fine Lock, but use of the FGS two-thirds aperture stop restores the transfer function with a corresponding loss of throughput. This loss requires the minimum brightness of acquired stars to be about one magnitude brighter than originally planned.

A theoretical and experimental benchmark study of core-excited states in nitrogen

DOE PAGES

Myhre, Rolf H.; Wolf, Thomas J. A.; Cheng, Lan; ...

2018-02-14

The high resolution near edge X-ray absorption fine structure spectrum of nitrogen displays the vibrational structure of the core-excited states. This makes nitrogen well suited for assessing the accuracy of different electronic structure methods for core excitations. We report high resolution experimental measurements performed at the SOLEIL synchrotron facility. These are compared with theoretical spectra calculated using coupled cluster theory and algebraic diagrammatic construction theory. The coupled cluster singles and doubles with perturbative triples model known as CC3 is shown to accurately reproduce the experimental excitation energies as well as the spacing of the vibrational transitions. In conclusion, the computationalmore » results are also shown to be systematically improved within the coupled cluster hierarchy, with the coupled cluster singles, doubles, triples, and quadruples method faithfully reproducing the experimental vibrational structure.« less

The structure of Venus' middle atmosphere and ionosphere.

PubMed

Pätzold, M; Häusler, B; Bird, M K; Tellmann, S; Mattei, R; Asmar, S W; Dehant, V; Eidel, W; Imamura, T; Simpson, R A; Tyler, G L

2007-11-29

The atmosphere and ionosphere of Venus have been studied in the past by spacecraft with remote sensing or in situ techniques. These early missions, however, have left us with questions about, for example, the atmospheric structure in the transition region from the upper troposphere to the lower mesosphere (50-90 km) and the remarkably variable structure of the ionosphere. Observations become increasingly difficult within and below the global cloud deck (<50 km altitude), where strong absorption greatly limits the available investigative spectrum to a few infrared windows and the radio range. Here we report radio-sounding results from the first Venus Express Radio Science (VeRa) occultation season. We determine the fine structure in temperatures at upper cloud-deck altitudes, detect a distinct day-night temperature difference in the southern middle atmosphere, and track day-to-day changes in Venus' ionosphere.

A theoretical and experimental benchmark study of core-excited states in nitrogen

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

Myhre, Rolf H.; Wolf, Thomas J. A.; Cheng, Lan

The high resolution near edge X-ray absorption fine structure spectrum of nitrogen displays the vibrational structure of the core-excited states. This makes nitrogen well suited for assessing the accuracy of different electronic structure methods for core excitations. We report high resolution experimental measurements performed at the SOLEIL synchrotron facility. These are compared with theoretical spectra calculated using coupled cluster theory and algebraic diagrammatic construction theory. The coupled cluster singles and doubles with perturbative triples model known as CC3 is shown to accurately reproduce the experimental excitation energies as well as the spacing of the vibrational transitions. In conclusion, the computationalmore » results are also shown to be systematically improved within the coupled cluster hierarchy, with the coupled cluster singles, doubles, triples, and quadruples method faithfully reproducing the experimental vibrational structure.« less

Excitation rate coefficients and line ratios for the optical and ultraviolet transitions in S II

NASA Technical Reports Server (NTRS)

Cai, Wei; Pradhan, Anil K.

1993-01-01

New calculations are reported for electron excitation collision strengths, rate coefficients, transition probabilities, and line ratios for the astrophysically important optical and UV lines in S II. The collision strengths are calculated in the close coupling approximation using the R-matrix method. The present calculations are more extensive than previous ones, including all transitions among the 12 lowest LS terms and the corresponding 28 fine-structure levels in the collisional-radiative model for S II. While the present rate coefficients for electron impact excitation are within 10-30 percent of the previous values for the low-lying optical transitions employed as density diagnostics of H II regions and nebulae, the excitation rates for the UV transitions 4S super 0 sub 3/2 - 4Psub 1/2,3/2,5/2 differ significantly from earlier calculations, by up to factor of 2. We describe temperature and density sensitive flux ratios for a number of UV lines. The present UV results are likely to be of interest in a more accurate interpretation of S II emission from the Io plasma torus in the magnetosphere of Jupiter, as well as other UV sources observed from the IUE, ASTRO 1, and the HST.

Distributed-Roughness Effects on Stability and Transition In Swept-Wing Boundary Layers

NASA Technical Reports Server (NTRS)

Carrillo, Ruben B., Jr.; Reibert, Mark S.; Saric, William S.

1997-01-01

Boundary-layer stability experiments are conducted in the Arizona State University Unsteady Wind Tunnel on a 45 deg swept airfoil. The pressure distribution and test conditions are designed to suppress Tollmien-Schlichting disturbances and provide crossflow-dominated transition. The surface of the airfoil is finely polished to a near mirror finish. Under these conditions, submicron surface irregularities cause the naturally occurring stationary crossflow waves to grow to nonuniform amplitudes. Spanwise-uniform stationary crossflow disturbances are generated through careful control of the initial conditions with full-span arrays of micron-high roughness elements near the attachment line. Detailed hot-wire measurements are taken to document the stationary crossflow structure and determine growth rates for the total and individual-mode disturbances. Naphthalene flow visualization provides transition location information. Roughness spacing and roughness height are varied to examine the effects on transition location and all amplified wavelengths. The measurements show that roughness spacings that do not contain harmonics equal to the most unstable wavelength as computed by linear stability theory effectively suppress the most unstable mode. Under certain conditions, subcritical roughness spacing delays transition past that of the corresponding smooth surface.

Noble-gas-induced collisional broadening of the 3P12-3P32 transition of sodium measured by the trilevel-echo technique

NASA Astrophysics Data System (ADS)

Mossberg, T. W.; Whittaker, E.; Kachru, R.; Hartmann, S. R.

1980-11-01

A variant of the trilevel-echo effect is observed and utilized to measure the effective cross section for broadening of the 3P12-3P32 transition of sodium by the noble gases. The cross section measured here should be the same as the broadening cross section obtained from a direct measurement of the collisionally broadened 3P12-3P32 transition linewidth (if such a measurement were possible). The new echo, the "inverted-difference-frequency" (IDF) trilevel echo, is well suited to the study of transitions between excited states of the same parity. At 400 K the measured broadening cross sections are He 115(12) Å2, Ne 120(12) Å2, Ar 234(23) Å2, Kr 266(27) Å2, and Xe 311(31) Å2. With He as the perturber, the cross section for broadening of the 3P12-3P32 transition can be calculated from measured depolarization and fine-structure-changing collision cross sections. With the other perturbers, however, collisional phase changes appear to be important. An intuitive diagrammatic technique for the analysis of echoes is applied to the IDF trilevel echo.

Fine-structure excitation of Fe II and Fe III due to collisions with electrons

NASA Astrophysics Data System (ADS)

Wan, Yier; Qi, Yueying; Favreau, Connor; Loch, Stuart; Stancil, P.; Ballance, Connor; McLaughlin, Brendan

2018-06-01

Atomic data of iron peak elements are of great importance in astronomical observations. Among all the ionization stages of iron, Fe II and Fe III are of particular importance because of the high cosmic abundance, relatively low ionization potential and complex open d-shell atomic structure. Fe II and Fe III emission are observed from nearly all classes of astronomical objects over a wide spectral range from the infrared to the ultraviolet. To meaningfully interpret these spectra, astronomers have to employ highly complex modeling codes with reliable collision data to simulate the astrophysical observations. The major aim of this work is to provide reliable atomic data for diagnostics. We present new collision strengths and effective collisions for electron impact excitation of Fe II and Fe III for the forbidden transitions among the fine-structure levels of the ground terms. A very fine energy mesh is used for the collision strengths and the effective collision strengths are calculated over a wide range of electron temperatures of astrophysical importance (10-2000 K). The configuration interaction state wave functions are generated with a scaled Thomas-Fermi-Dirac-Amaldi (TFDA) potential, while the R-matrix plus intermediate coupling frame transformation (ICFT), Breit-Pauli R-matrix and Dirac R-matrix packages are used to obtain collision strengths. Influences of the different methods and configuration expansions on the collisional data are discussed. Comparison is made with earlier theoretical work and differences are found to occur at the low temperatures considered here.This work was funded by NASA grant NNX15AE47G.

Copernicus observations of C I: pressures and carbon abundances in diffuse interstellar clouds

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

Jenkins, E.B.; Jura, M.; Loewenstein, M.

1983-07-01

Using the Copernicus satellite, we observed ultraviolet absorption lines of interstellar neutral carbon atoms toward 27 stars. In addition to deriving column densities of C I (both in its ground state and the two excited fine-structure levels), we used our equivalent widths to revise the f-values of some of the C I transitions measured by other investigators. We also observed H/sub 2/ from the J = 4 level so that we could compare the rotational excitation of H/sub 2/ with the fine-structure excitation of C I. From the amount of fine-structure excitation of C I in each case, we havemore » derived information on the thermal gas pressures within the diffuse clouds. Most clouds have p/k between 10/sup 3/ cm/sup -3/ K and 10/sup 4/ cm/sup -3/ K, but we found that at least 6% of the C I-bearing material is at p/k>10/sup 4/ cm/sup -3/ K, and one-third of the gas has upper limits for pressure below 10/sup 3/ cm/sup -3/ K, assuming temperatures are not appreciably below 20 K. An analysis of radial velocities for the absorption lines showed no distinctive trends for the kinematics of high- or low-pressure gas components. From the apparent lack of acceleration of high-pressure clouds, we conclude that it is unlikely that streaming intercloud material is causing significant ram pressurization. We have compared our results with the predictions for pressure fluctuations caused by supernova explosions in the theory of McKee and Ostriker.« less

Nature of exciton transitions in hexagonal boron nitride

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

Li, J.; Cao, X. K.; Lin, J. Y.

2016-03-21

In contrast to other III-nitride semiconductors GaN and AlN, the intrinsic (or free) exciton transition in hexagonal boron nitride (h-BN) consists of rather complex fine spectral features (resolved into six sharp emission peaks) and the origin of which is still unclear. Here, the free exciton transition (FX) in h-BN bulk crystals synthesized by a solution method at atmospheric pressure has been probed by deep UV time-resolved photoluminescence (PL) spectroscopy. Based on the separations between the energy peak positions of the FX emission lines, the identical PL decay kinetics among different FX emission lines, and the known phonon modes in h-BN,more » we suggest that there is only one principal emission line corresponding to the direct intrinsic FX transition in h-BN, whereas all other fine features are a result of phonon-assisted transitions. The identified phonon modes are all associated with the center of the Brillouin zone. Our results offer a simple picture for the understanding of the fundamental exciton transitions in h-BN.« less

New Accurate Oscillator Strengths and Electron Excitation Collision Strengths for N1

NASA Technical Reports Server (NTRS)

Tayal, S. S.

2006-01-01

The nonorthogonal orbitals technique in a multiconfiguration Hartree-Fock approach is used to calculate oscillator strengths and transition probabilities of N(I) lines. The relativistic effects are allowed by means of Breit-Pauli operators. The length and velocity forms of oscillator strengths show good agreement for most transitions. The B-spline R-matrix with pseudostates approach has been used to calculate electron excitation collision strengths and rates. The nonorthogonal orbitals are used for an accurate description of both target wave functions and the R-matrix basis functions. The 24 spectroscopic bound and autoionizing states together with 15 pseudostates are included in the close-coupling expansion. The collision strengths for transitions between fine-structure levels are calculated by transforming the LS-coupled K-matrices to K-matrices in an intermediate coupling scheme. Thermally averaged collision strengths have been determined by integrating collision strength over a Maxwellian distribution of electron energies over a temperature range suitable for the modeling of astrophysical plasmas. The oscillator strengths and thermally averaged collision strengths are presented for transitions between the fine-structure levels of the 2s(sup 2)p(sup 3) (sup 4)S(sup 0), (sup 2)D(sup 0), (sup 2)P(sup 0), 2s2p(sup 4) (sup 4)P, 2s(sup 2)2p(sup 2)3s (sup 4)P, and (sup 2)P terms and from these levels to the levels of the 2s(sup 2)2p(sup 2)3p (sup 2)S(sup 0), (sup 4)D(sup 0), (sup 4)P(sup 0), (sup 4)S(sup 0), (sup 2)D(sup 0), (sup 2)P(sup 0),2s(sup 2)2p(sup 2)3s(sup 2)D, 2s(sup 2)2p(sup 2)4s(sup 4)P, (sup 2)P, 2s(sup 2)2p(sup 2)3d(sup 2)P, (sup 4)F,(sup 2)F,(sup 4)P, (sup 4)D, and (sup 2)D terms. Thermally averaged collision strengths are tabulated over a temperature range from 500 to 50,000 K.

Fine- and hyperfine structure investigations of even configuration system of atomic terbium

NASA Astrophysics Data System (ADS)

Stefanska, D.; Elantkowska, M.; Ruczkowski, J.; Furmann, B.

2017-03-01

In this work a parametric study of the fine structure (fs) and the hyperfine structure (hfs) for the even-parity configurations of atomic terbium (Tb I) is presented, based in considerable part on the new experimental results. Measurements on 134 spectral lines were performed by laser induced fluorescence (LIF) in a hollow cathode discharge lamp; on this basis, the hyperfine structure constants A and B were determined for 52 even-parity levels belonging to the configurations 4f85d6s2, 4f85d26s or 4f96s6p; in all the cases those levels were involved in the transitions investigated as the lower levels. For 40 levels the hfs was examined for the first time, and for the remaining 12 levels the new measurements supplement our earlier results. As a by-product, also preliminary values of the hfs constants for 84 odd-parity levels were determined (the investigations of the odd-parity levels system in the terbium atom are still in progress). This huge amount of new experimental data, supplemented by our earlier published results, were considered for the fine and hyperfine structure analysis. A multi-configuration fit of 7 configurations was performed, taking into account second-order of perturbation theory, including the effects of closed shell-open shell excitations. Predicted values of the level energies, as well as of magnetic dipole and electric quadrupole hyperfine structure constants A and B, are quoted in cases when no experimental values are available. By combining our experimental data with our own semi-empirical procedure it was possible to identify correctly the lower and upper level of the line 544.1440 nm measured by Childs with the use of the atomic-beam laser-rf double-resonance technique (Childs, J Opt Soc Am B 9;1992:191-6).

Physical characterization of fine particulate matter inside the public transit buses fueled by biodiesel in Toledo, Ohio.

PubMed

Shandilya, Kaushik K; Kumar, Ashok

2011-06-15

This study presents the physical characteristics of fine particulate matter (PM) collected inside the urban-public transit buses in Toledo, OH. These buses run on 20% biodiesel blended with ultra-low sulfur diesel (ULSD) (B20). For risk analysis, it is crucial to know the modality of the size distribution and the shape factor of PM collected inside the bus. The number-size distribution, microstructure, and aspect ratio of fine PM filter samples collected in the urban-public transit buses were measured for three years (2007-2009), using an environmental scanning electron microscope (ESEM) coupled with energy dispersive X-ray spectrometry (EDX). Only the reproducible results from repeated experiments on ESEM and size distribution obtained by the GRIMM dust monitor were used in this study. The size distribution was found bi-modal in the winter and fall months and was primarily uni-modal during spring and summer. The aspect ratio for different filter samples collected inside the bus range from 2.4 to 3.6 in average value, with standard deviation ranging from 0.9 to 7.4. The square-shaped and oblong-shaped particles represent the single inhalable particle's morphology characteristics in the air of the Toledo transit buses. Copyright © 2011 Elsevier B.V. All rights reserved.

Anomalous structural disorder and distortion in metal-to-insulator-transition Ti{sub 2}O{sub 3}

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

Hwang, In-Hui; Jin, Zhenlan; Park, Chang-In

2016-01-07

Mott proposed that impurity bands in corundum-symmetry Ti{sub 2}O{sub 3} at high temperatures caused a collapse in the bandgap. However, the origin of the impurity bands has not yet been clarified. We examine the local structural properties of metal-to-insulator-transition Ti{sub 2}O{sub 3} using in-situ x-ray absorption fine structure (XAFS) measurements at the Ti K edge in the temperature range from 288 to 739 K. The Ti{sub 2}O{sub 3} powder is synthesized by using a chemical reaction method. X-ray diffraction (XRD) measurements from Ti{sub 2}O{sub 3} with a Rietveld refinement demonstrate a single-phased R-3c symmetry without additional distortion. Extended-XAFS combined with XRDmore » reveals a zigzag patterned Ti position and an anomalous structural disorder in Ti-Ti pairs, accompanied by a bond length expansion of the Ti-Ti pairs along the c-axis for T > 450 K. The local structural distortion and disorder of the Ti atoms would induce impurity levels in the band gap between the Ti 3d a{sub 1g} and e{sub g}{sup π} bands, resulting in a collapse of the band gap for T > 450 K.« less

Fine structure and lifetime of dark excitons in transition metal dichalcogenide monolayers

NASA Astrophysics Data System (ADS)

Robert, C.; Amand, T.; Cadiz, F.; Lagarde, D.; Courtade, E.; Manca, M.; Taniguchi, T.; Watanabe, K.; Urbaszek, B.; Marie, X.

2017-10-01

The intricate interplay between optically dark and bright excitons governs the light-matter interaction in transition metal dichalcogenide monolayers. We have performed a detailed investigation of the "spin-forbidden" dark excitons in WSe2 monolayers by optical spectroscopy in an out-of-plane magnetic field Bz. In agreement with the theoretical predictions deduced from group theory analysis, magnetophotoluminescence experiments reveal a zero-field splitting δ =0.6 ±0.1 meV between two dark exciton states. The low-energy state is strictly dipole forbidden (perfectly dark) at Bz=0 , while the upper state is partially coupled to light with z polarization ("gray" exciton). The first determination of the dark neutral exciton lifetime τD in a transition metal dichalcogenide monolayer is obtained by time-resolved photoluminescence. We measure τD˜110 ±10 ps for the gray exciton state, i.e., two orders of magnitude longer than the radiative lifetime of the bright neutral exciton at T =12 K .

Energy levels, wavelengths, and radiative transition probabilities for the Na-like ions with 38 [le] Z [le] 45

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

Ying Zhang; Qiren Zhu; Shoufu Pan

1992-11-01

The investigation by Z.-Q Zhang et al. (Acta Optica Sinica 11, 193, 1991) shows that it is possible to realize soft X-ray lasing in the water window 23.3-43.8 [Angstrom] with the Na-like recombination scheme, which requires a lower pumping power at a high-power laser facility than that with other schemes. The fine-structure levels with n [le] 15 and l [le] 6 in Na-like ions with 38 [le] Z [le] 45 and the probabilities for radiative transitions between these levels are calculated using the multiconfiguration Dirac-Fock approach. The calculations show that the wavelengths of the anticipated laser transitions 6 f-4d andmore » 6g-4f in the Na-like ions with 38 [le] Z [le] 43 and 5f-4d and 5g-4f in the Na-like ions with 40 [le] Z [le] 45 lie in the region of the water window.« less

Hindered rotations probed by rare earths in crystals: Er3+ and Tm3+ in BaY2F8

NASA Astrophysics Data System (ADS)

Baraldi, A.; Buffagni, E.; Capelletti, R.; Mazzera, M.; Magnani, N.; Carini, G., Jr.; D'Angelo, G.

2009-10-01

The sharpness of absorption lines induced by crystal-field (CF) transitions of rare earths (RE) can be exploited to disclose the rotational structure usually hidden under the more common broad electronic absorptions. In the present work the effectiveness of such an approach is proved by the analysis of the fine structure (FS) accompanying the Er3+ and Tm3+ CF lines in BaY2F8 single crystals. Sequences of weak, very narrow (0.03-0.1cm-1) , closely spaced (˜0.2-0.8cm-1) lines were monitored in high-resolution (as fine as 0.01cm-1 ), low-temperature (9 K) absorption spectra in the 2000-24000cm-1 range. The FS covers a few cm-1 on both sides of the narrowest among the RE-CF lines and is tightly associated with them, as proved by the amplitude dependence on the RE concentration (in the 0.5-20at.% range) and by linear dichroism measurements. The FS lines vanishing at temperatures as low as 40-60 K and the close spacing suggest that they may be ascribed to the simultaneous excitation of both RE-CF electronic transition and hindered rotation (or libration) mode of RE3+-F- group. The attribution is supported both by the specific structure of the host matrix which allows some F- mobility and by the very small line spacing which is in excellent agreement with the RE3+-F- rotational constant (2B=0.39cm-1) . Complementary specific-heat measurements in the temperature range 1.5-25 K show that Er3+ -doped samples display contributions, in addition to the vibrational one of a pure sample, which scale with the Er3+ concentration. The extra specific heat is interpreted in terms of Schottky anomalies; that peaking at ˜17K accounts for electronic transitions between the lowest sublevels of the I415/2 ground manifold, in agreement with the CF spectroscopy results while those occurring below 3.5 K are consistent with level pairs separated by 0.55 and 0.36cm-1 , in agreement with the FS line spacing.

Terahertz Spectroscopy of Deuterated Methylene Bi-Radical CD_2

NASA Astrophysics Data System (ADS)

Ozeki, Hiroyuki; Bailleux, Stephane

2015-06-01

Methylene, the parent of the carbene compounds, plays a crucial role in many chemical reactions. This bi-radical is a known interstellar molecule that has been detected towards hot cores in dense interstellar clouds. CH_2 is also thought to be present in cometary atmospheres. In the gas phase chemical models of both dense and diffuse molecular clouds, CH_2 is a key intermediate in interstellar carbon chemistry which is produced primarily by dissociative recombination of the methyl ion, CH^+_3. Recently tentative detection of the mono-deuterated methyl ion, CH_2D^+ has been reported toward an infrared source in the vicinity of Orion. Deuterated methylene CHD and CD_2 can be produced from this ion or its counterpart CHD^+_2 by dissociative recombination with an electron: CH2D+ + e- → CHD+ H or {CH2 + D}, CHD2+ ~+ e- → CHD+ D or CD2 + H. Thus, both CHD and CD_2 can be observed in warm interstellar clouds, where the deuterium fractionation process is important. Precise laboratory reference data are desirable for radioastronomical observation of these molecules. Here we report on our high-resolution spectroscopic investigation on the deuterated methylene radical, CD_2 (X ^3B_1) up to 1.45 THz. At present time, eleven out of the twelve fine-structure components of four pure rotational transitions have been newly recorded, and these measurements double the number of previously observed transitions. CD_2 was generated in a discharge in CD_2CO which was obtained from the flash pyrolysis of acetic anhydride-d6 ((CD_3CO)_2O). Effort is currently made to measure the astronomically important 111 - 000 transition whose fine-structure components are predicted to occur at 1.224,1.228 and 1.234 THz. D. C. Lis, P. F. Goldsmith, E. A. Bergin et al. 2009, in Submillimeter Astrophysics and Technology, ASP Conf. Ser., 417, 23. H. Ozeki and S. Saito J. Chem. Phys. 1996, 104, 2167.

Morphology of the interstellar cooling lines detected by COBE

NASA Technical Reports Server (NTRS)

Bennett, C. L.; Fixsen, D. J.; Hinshaw, G.; Mather, J. C.; Moseley, S. H.; Wright, E. L.; Eplee, R. E., Jr.; Gales, J.; Hewagama, T.; Isaacman, R. B.

1994-01-01

The Far-Infrared Absolute Spectrophotometer (FIRAS) on the COBE satellite has conducted an unbiased survey of the far-infrared emission from our Galaxy. The first results of this survey were reported by Wright et al. (1991). We report the results of new analyses of this spectral survey, which includes emission lines from 158 micrometer C(+), 122 and 205 micrometer N(+), 370 and 609 micrometer C(0), and CO J = 2 goes to 1 through J = 5 goes to 4. We report the morphological distribution along the Galactic plane (b = 0 deg) of the spectral line emission, and the high Galactic latitude intensities of the C(+) and 205 micrometer N(+) emission. In the Galactic plane the 205 micrometer line of N(+) generally follows the 158 micrometer C(+) line distribution, but the intensities scale as I(N(+) 205 micrometer) varies as I(C(+) 158 micrometer)(exp 1.5) toward the inner Galaxy. The high Galactic latitude intensity of the 158 micrometer fine-structure transition from C(+) is I(C(+) 158 micrometer) = (1.43 +/- 0.12) x 10(exp -6) csc (absolute value of b) ergs/sq cm s sr for absolute value of b greater than 15 deg, and it decreases more rapidly than the far-infrared intensity with increasing Galactic latitude. C(+) and neutral atomic hydrogen emission are closely correlated with a C(+) cooling rate of (2.65 +/- 0.15) x 10(exp -26) ergs/s. We conclude that this emission arises almost entirely from the cold neutral medium. The high Galactic latitude intensity of the 205 micrometer fine-structure transition from N(+) is I(N(+) 205 micrometer) = (4 +/- 1) x 10(exp -8) csc (absolute value of b) ergs/((sq cm)(s)(sr)) arising entirely from the warm ionized medium. We estimate the total ionizing photon rate in the Galaxy to be phi = 3.5 x 10(exp 53) ionizing photons per second, based on the 205 micrometer N(+) transition.

TRIGGER MECHANISM OF SOLAR SUBFLARES IN A BRAIDED CORONAL MAGNETIC STRUCTURE

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

Tiwari, Sanjiv K.; Alexander, Caroline E.; Winebarger, Amy R.

Fine-scale braiding of coronal magnetic loops by continuous footpoint motions may power coronal heating via nanoflares, which are spontaneous fine-scale bursts of internal reconnection. An initial nanoflare may trigger an avalanche of reconnection of the braids, making a microflare or larger subflare. In contrast to this internal triggering of subflares, we observe external triggering of subflares in a braided coronal magnetic field observed by the High-resolution Coronal Imager (Hi-C). We track the development of these subflares using 12 s cadence images acquired by SDO/AIA in 1600, 193, 94 Å, and registered magnetograms of SDO/HMI, over four hours centered on the Hi-Cmore » observing time. These data show numerous recurring small-scale brightenings in transition-region emission happening on polarity inversion lines where flux cancellation is occurring. We present in detail an example of an apparent burst of reconnection of two loops in the transition region under the braided coronal field which is appropriate for releasing a short reconnected loop downward and a longer reconnected loop upward. The short loop presumably submerges into the photosphere, participating in observed flux cancellation. A subflare in the overlying braided magnetic field is apparently triggered by the disturbance of the braided field by the reconnection-released upward loop. At least 10 subflares observed in this braided structure appear to be triggered this way. How common this external trigger mechanism for coronal subflares is in other active regions, and how important it is for coronal heating in general, remain to be seen.« less

Atomic data from the iron project. 3: Rate coefficients for electron impact excitation of boron-like ions: Ne VI, Mg VIII, Al IX, Si X, S XII, Ar XIV, Ca XVI and Fe XXII

NASA Technical Reports Server (NTRS)

Zhang, Hong Lin; Graziani, Mark; Pradhan, Anil K.

1994-01-01

Collison strengths and maxwellian averaged rate coefficients have been calculated for the 105 transitions among all 15 fine structure levels of the 8 LS terms 2s(sup 2) 2 P(P-2(sup 0 sub 1/, 3/2)), 2s2p(sup 2)(P-4(sub 1/2,3/2,5/2), D-2(sub 3/2, 5/2), S-2(sub 1/2), P-2(sub 1/2, 3/2)), 2p(sup 3)(S-4(sup 0)(sub 3/2), D-2(sup 0 sub 3/2, 5/2), P-2(sup 0 sub 1/2, 3/2)) in highly- charged B-like Ne, Mg, Al, Si, S, Ar, Ca and Fe. Rate coefficients have been tabulated at a wide range of temperatures, depending on the ion charge and abundance in plasma sources. Earlier work for O IV has also been extended to include the high temperature range. A brief discussion of the calculations, sample results, and comparison with earlier works is also given. While much of the new data should be applicable to UV spectral diagnostics, the new rates for the important ground state fine structure transition P-2(sup 0 sub 1/2)-P-2(sup 0 sub 3/2) should result in significant revision of the IR cooling rates in plasmas where B-like ions are prominent constituents, since the new rate coefficients are generally higher by several factors compared with the older data.

[CuCl(n)](2-n) ion-pair species in 1-ethyl-3-methylimidazolium chloride ionic liquid-water mixtures: ultraviolet-visible, X-ray absorption fine structure, and density functional theory characterization.

PubMed

Li, Guosheng; Camaioni, Donald M; Amonette, James E; Zhang, Z Conrad; Johnson, Timothy J; Fulton, John L

2010-10-07

We studied the coordination environment about Cu(II) in a pure ionic liquid, 1-ethyl-3-methylimidazolium chloride ([EMIM]Cl), and in binary mixtures of this compound with water across the entire range of compositions, using a combination of X-ray absorption fine structure (XAFS), ultraviolet-visible (UV-vis) spectroscopy, and electronic structure calculations. Our results show a series of stages in the ion pairing of the divalent cation, Cu(II), including the contact ion pairing of Cu(2+) with multiple Cl(-) ligands to form various CuCl(n)((2-n)) polyanions, as well as the subsequent solvation and ion pairing of the polychlorometallate anion with the EMIM(+) cation. Ion-pair formation is strongly promoted in [EMIM]Cl by the low dielectric constant and by the extensive breakdown of the water hydrogen-bond network in [EMIM]Cl-water mixtures. The CuCl(4)(2-) species dominates in the [EMIM]Cl solvent, and calculations along with spectroscopy show that its geometry distorts to C(2) symmetry compared to D(2d) in the gas phase. These results are important in understanding catalysis and separation processes involving transition metals in ionic liquid systems.

Microstructure and Microhardness of 17-4PH Deposited with Co-based Alloy Hardfacing Coating

NASA Astrophysics Data System (ADS)

Deng, D. W.; Zhang, C. P.; Chen, R.; Xia, H. F.

Hardfacing is widely used to improve the performance of components exposed to severe service conditions. In this paper, the surface modification was evaluated for precipitation hardening martensitic stainless steel 17-4PH deposited with Co-based alloy stellite12 by the plasma-transferred arc welding (PTAW). The microstructure and microhardness of coating and heat affected zone(HAZ) of base metal were characterized by optical microscope (OM), scanning electron scanning microscope (SEM), X-ray diffractometer and hardness tester. The results show that the interface between weld metal and base metal is favorable without pore and crack, at the same time elements diffusion is observed in the fusion area. However, as the distance from the interface increases, HAZ comprises three different microstructural zones, namely, zones of coarse overheated structures, quenching martensite and martensite, ferrite. The microhardness decreases gradually from the HAZ near interface to the base metal, except the zone of coarse overheated structures. The microhardness of the coating improves a lot and fluctuates in a definitive range, and microstructural gradient is observed including the fusion area (the planar region and the bulky dendrite in a direction perpendicular to the weld interface), the transition zone (the dendrite in a multi-direction way) and the fine grain zone near the surface in the coating (fine equiaxial structure).

The Human Brainnetome Atlas: A New Brain Atlas Based on Connectional Architecture.

PubMed

Fan, Lingzhong; Li, Hai; Zhuo, Junjie; Zhang, Yu; Wang, Jiaojian; Chen, Liangfu; Yang, Zhengyi; Chu, Congying; Xie, Sangma; Laird, Angela R; Fox, Peter T; Eickhoff, Simon B; Yu, Chunshui; Jiang, Tianzi

2016-08-01

The human brain atlases that allow correlating brain anatomy with psychological and cognitive functions are in transition from ex vivo histology-based printed atlases to digital brain maps providing multimodal in vivo information. Many current human brain atlases cover only specific structures, lack fine-grained parcellations, and fail to provide functionally important connectivity information. Using noninvasive multimodal neuroimaging techniques, we designed a connectivity-based parcellation framework that identifies the subdivisions of the entire human brain, revealing the in vivo connectivity architecture. The resulting human Brainnetome Atlas, with 210 cortical and 36 subcortical subregions, provides a fine-grained, cross-validated atlas and contains information on both anatomical and functional connections. Additionally, we further mapped the delineated structures to mental processes by reference to the BrainMap database. It thus provides an objective and stable starting point from which to explore the complex relationships between structure, connectivity, and function, and eventually improves understanding of how the human brain works. The human Brainnetome Atlas will be made freely available for download at http://atlas.brainnetome.org, so that whole brain parcellations, connections, and functional data will be readily available for researchers to use in their investigations into healthy and pathological states. © The Author 2016. Published by Oxford University Press.

Tunable metal-insulator transition in Nd{sub 1−x}Y{sub x}NiO{sub 3} (x = 0.3, 0.4) perovskites thin film at near room temperature

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

Shao, Tao; Qi, Zeming, E-mail: zmqi@ustc.edu.cn; Wang, Yuyin

2015-07-13

Metal-insulator transition (MIT) occurs due to the charge disproportionation and lattice distortions in rare-earth nickelates. Existing studies revealed that the MIT behavior of rare-earth nickelates is fairly sensitive to external stress/pressure, suggesting a viable route for MIT strain engineering. Unlike applying extrinsic strain, the MIT can also be modulated by through rare-earth cation mixing, which can be viewed as intrinsic quantum stress. We choose Nd{sub 1−X}Y{sub X}NiO{sub 3} (x = 0.3, 0.4) perovskites thin films as a prototype system to exhibit the tunable sharp MIT at near room temperature. By adjusting Y concentration, the transition temperature of the thin films can bemore » changed within the range of 340–360 K. X-ray diffraction, X-ray absorption fine structure (XAFS), and in situ infrared spectroscopy are employed to probe the structural and optical property variation affected by composition and temperature. The infrared transmission intensity decreases with temperature across the MIT, indicating a pronounced thermochromic effect. Meanwhile, the XAFS result exhibits that the crystal atomistic structure changes accompanying with the Y atoms incorporation and MIT phase transition. The heavily doped Y atoms result in the pre-edge peak descent and Ni-O bond elongation, suggesting an enhanced charge disproportionation effect and the weakening of hybridization between Ni-3d and O-2p orbits.« less

Phase composition and fine structure of 0.18C-1Cr-3Ni-1Mo-Fe steel after plasma-electrolytic treatment

NASA Astrophysics Data System (ADS)

Popova, Natalya; Bayatanova, Lyayla; Nikonenko, Elena; Skakov, Mazhyn; Kozlov, Eduard

2017-01-01

The paper presents the transmission electron microscopy (TEM) investigation of 0.18C-1Cr-3Mn-1Mo- Fe steel specimens to study phase transitions and modification of fine structure after plasma-electrolytic treatment (carbonitriding at 850°C during 5 min). TEM investigations involve two points: on the specimen surface and at ˜40 µm distance from it. The experiments show that the structure in the original state is a mixture consisting of ferrite and perlite grains. Carbonitriding results in a considerable modification of the quality and quantity of steel structure. Thus, on the surface, α-phase is represented by lamellar martensite, while at ˜40 µm depth - by massive and lamellar martensite tempered at low and high temperatures. Moreover, on the subsurface of the martensite plates' boundaries retained austenite layers are observed, while inside plates the particles of alloyed cementite, carbonitrides of M23(C,N)6, M2C0.61N0.39, M6,2C3,5N0,3, M(C,N)2, Cr12Fe32Mo7Ni7 types, and β-graphite are present. In the specimen at the depth of ˜40 µm, retained austenite layers are observed on the boundaries of martensite laths and plates, while inside plates only the particles of alloyed cementite and M23(C,N)6 carbonitride are formed.

The far-infrared laser magnetic resonance spectrum of the SiH radical and determination of ground state parameters

NASA Technical Reports Server (NTRS)

Brown, J. M.; Curl, R. F.; Evenson, K. M.

1984-01-01

The far-infrared laser magnetic resonance spectrum of the SiH radical in the v = O level of its X2Pi state has been recorded. The signals are rather weak. The molecules were generated in the reaction between fluorine atoms and SiH4. Rotational transitions have been detected in both 2Pi1/2 and 2Pi3/2 spin components but no fine structure transitions between the spin components were observed. Proton hyperfine splittings were resolved on some lines. The measurements have been analyzed, subjected to a least-squares fit using an effective Hamiltonian, and the appropriate molecular parameters determined. The weakness of the spectrum and the failure of attempts to power saturate favorable lines are both consistent with a small value for the electric dipole moment for SiH.

Hydrothermal diamond anvil cell for XAFS studies of first-row transition elements in aqueous solutions up to supercritical conditions

USGS Publications Warehouse

Bassett, William A.; Anderson, Alan J.; Mayanovic, Robert A.; Chou, I.-Ming

2000-01-01

A hydrothermal diamond anvil cell (HDAC) has been modified by drilling holes with a laser to within 150 ??m of the anvil face to minimize the loss of X-rays due to absorption and scatter by diamond. This modification enables acquisition of K-edge X-ray absorption fine structure (XAFS) spectra from first-row transition metal ions in aqueous solutions at temperatures ranging from 25??C to 660??C and pressures up to 800 MPa. These pressure-temperature (P-T) conditions are more than sufficient for carrying out experimental measurements that can provide data valuable in the interpretation of fluid inclusions in minerals found in ore-forming hydrothermal systems as well as other important lithospheric processes involving water. (C) 2000 Elsevier Science B.V. All rights reserved.

The millimeter-wave spectrum of the MgH and MgD radicals

NASA Technical Reports Server (NTRS)

Ziurys, L. M.; Barclay, W. L., Jr.; Anderson, M. A.

1993-01-01

The pure rotational spectrum of MgH radical (X 2 Sigma (+)) in its ground state v = 0 and v = 1 vibrational modes has been observed in the laboratory using millimeter/submillimeter direct absorption spectroscopy. The rotational spectra of two isotopically substituted species, MgD and (Mg-26)H, have been detected as well. All six hyperfine components of the N = 0 -1 transition of MgH in its v = 0 and v = 1 states have been directly measured to an accuracy of +/-50 kHz, and the five components have been observed for (Mg-26)H. The N = 0 +/-1 and N = 1 -2 transitions of MgD have also been detected. Rotational, fine structure, and hyperfine constants were determined for all species from a nonlinear least-squared fit to the data using a 2 Sigma Hamiltonian.

Topological Sachdev-Ye-Kitaev model

NASA Astrophysics Data System (ADS)

Zhang, Pengfei; Zhai, Hui

2018-05-01

In this Rapid Communication, we construct a large-N exactly solvable model to study the interplay between interaction and topology, by connecting the Sachdev-Ye-Kitaev (SYK) model with constant hopping. The hopping forms a band structure that can exhibit both topologically trivial and nontrivial phases. Starting from a topologically trivial insulator with zero Hall conductance, we show that the interaction can drive a phase transition to a topologically nontrivial insulator with quantized nonzero Hall conductance, and a single gapless Dirac fermion emerges when the interaction is fine tuned to the critical point. The finite temperature effect is also considered, and we show that the topological phase with a stronger interaction is less stable against temperature. Our model provides a concrete example to illustrate the interacting topological phases and phase transitions, and can shed light on similar problems in physical systems.

M553 sphere forming experiment: Pure nickel specimen evaluation

NASA Technical Reports Server (NTRS)

Johnson, P. C.; Peters, E. T.

1973-01-01

A region or cap of very fine two-dimensional surface growth structure was observed at the top of three of the six pure nickel flight specimens. Such two-dimensional surface growth structures have been observed both on the ground-based specimens and on other surface areas of the flight specimens. However, the fine structures observed on the three flight samples are at least an order of magnitude finer than those previously observed, and resemble similar localized, fine, two-dimensional surface structures observed in both ground and flight specimens for the nickel alloys. The two-dimensional growth areas consist primarily of fine equiaxed grains, specimen SL-2.6, fine dendrites, specimen SL-2.5, or a core of fine equiaxed grains surrounded by a ring of fine dendrites, specimen SL-1.9.

Optical and electrical properties of polycrystalline and amorphous Al-Ti thin films

NASA Astrophysics Data System (ADS)

Canulescu, S.; Borca, C. N.; Rechendorff, K.; Davidsdóttir, S.; Pagh Almtoft, K.; Nielsen, L. P.; Schou, J.

2016-04-01

The structural, optical, and transport properties of sputter-deposited Al-Ti thin films have been investigated as a function of Ti alloying with a concentration ranging from 2% to 46%. The optical reflectivity of Al-Ti films at visible and near-infrared wavelengths decreases with increasing Ti content. X-ray absorption fine structure measurements reveal that the atomic ordering around Ti atoms increases with increasing Ti content up to 20% and then decreases as a result of a transition from a polycrystalline to amorphous structure. The transport properties of the Al-Ti films are influenced by electron scattering at the grain boundaries in the case of polycrystalline films and static defects, such as anti-site effects and vacancies in the case of the amorphous alloys. The combination of Ti having a real refractive index (n) comparable with the extinction coefficient (k) and Al with n much smaller than k allows us to explore the parameter space for the free-electron behavior in transition metal-Al alloys. The free electron model, applied for the polycrystalline Al-Ti films with Ti content up to 20%, leads to an optical reflectance at near infrared wavelengths that scales linearly with the square root of the electrical resistivity.

Atomic Decay Data for Modeling K Lines of Iron Peak and Light Odd-Z Elements*

NASA Technical Reports Server (NTRS)

Palmeri, P.; Quinet, P.; Mendoza, C.; Bautista, M. A.; Garcia, J.; Witthoeft, M. C.; Kallman, T. R.

2012-01-01

Complete data sets of level energies, transition wavelengths, A-values, radiative and Auger widths and fluorescence yields for K-vacancy levels of the F, Na, P, Cl, K, Sc, Ti, V, Cr, Mn, Co, Cu and Zn isonuclear sequences have been computed by a Hartree-Fock method that includes relativistic corrections as implemented in Cowan's atomic structure computer suite. The atomic parameters for more than 3 million fine-structure K lines have been determined. Ions with electron number N greater than 9 are treated for the first time, and detailed comparisons with available measurements and theoretical data for ions with N less than or equal to 9 are carried out in order to estimate reliable accuracy ratings.

First-Principles Predictions of Near-Edge X-ray Absorption Fine Structure Spectra of Semiconducting Polymers

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

Su, Gregory M.; Patel, Shrayesh N.; Pemmaraju, C. D.

The electronic structure and molecular orientation of semiconducting polymers in thin films determine their ability to transport charge. Methods based on near-edge X-ray absorption fine structure (NEXAFS) spectroscopy can be used to probe both the electronic structure and microstructure of semiconducting polymers in both crystalline and amorphous films. However, it can be challenging to interpret NEXAFS spectra on the basis of experimental data alone, and accurate, predictive calculations are needed to complement experiments. Here, we show that first-principles density functional theory (DFT) can be used to model NEXAFS spectra of semiconducting polymers and to identify the nature of transitions inmore » complicated NEXAFS spectra. Core-level X-ray absorption spectra of a set of semiconducting polymers were calculated using the excited electron and core-hole (XCH) approach based on constrained-occupancy DFT. A comparison of calculations on model oligomers and periodic structures with experimental data revealed the requirements for accurate prediction of NEXAFS spectra of both conjugated homopolymers and donor–acceptor polymers. The NEXAFS spectra predicted by the XCH approach were applied to study molecular orientation in donor–acceptor polymers using experimental spectra and revealed the complexity of using carbon edge spectra in systems with large monomeric units. The XCH approach has sufficient accuracy in predicting experimental NEXAFS spectra of polymers that it should be considered for design and analysis of measurements using soft X-ray techniques, such as resonant soft X-ray scattering and scanning transmission X-ray microscopy.« less

Fine tuning the color-transition temperature of thermoreversible polydiacetylene/zinc oxide nanocomposites: The effect of photopolymerization time.

PubMed

Traiphol, Nisanart; Faisadcha, Kunruethai; Potai, Ruttayapon; Traiphol, Rakchart

2015-02-01

An ability to control the thermochromic behaviors of polydiacetylene (PDA)-based materials is very important for their utilization. Recently, our group has developed the PDA/zinc oxide (ZnO) nanocomposites, which exhibit reversible thermochromism (Traiphol et al., 2011). In this study, we present our continuation work demonstrating a rather simple method for fine tuning their color-transition temperature. The PDA/ZnO nanocomposites are prepared by varying photopolymerization time, which in turn affects the length of PDA conjugated backbone. We have found that the increase of photopolymerization time from 1 to 120min results in systematically decrease of the color-transition temperature from about 85 to 40°C. These PDA/ZnO nanocomposites still exhibit reversible thermochromism. The PDA/ZnO nanocomposites embedded in polyvinyl alcohol films show two-step color-transition processes, the reversible blue to purple and then irreversible purple to orange. Interestingly, the increase of photopolymerization time causes an increase of the irreversible color-transition temperature. Our method is quite simple and cheap, which can provide a library of PDA-based materials with controllable color-transition temperature. Copyright © 2014 Elsevier Inc. All rights reserved.

High-resolution 2-D Bragg diffraction reveal heterogeneous domain transformation behavior in a bulk relaxor ferroelectric

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

Pramanick, Abhijit, E-mail: apramani@cityu.edu.hk; Stoica, Alexandru D.; An, Ke

2016-08-29

In-situ measurement of fine-structure of neutron Bragg diffraction peaks from a relaxor single-crystal using a time-of-flight instrument reveals highly heterogeneous mesoscale domain transformation behavior under applied electric fields. It is observed that only ∼25% of domains undergo reorientation or phase transition contributing to large average strains, while at least 40% remain invariant and exhibit microstrains. Such insights could be central for designing new relaxor materials with better performance and longevity. The current experimental technique can also be applied to resolve complex mesoscale phenomena in other functional materials.

High-resolution 2-D Bragg diffraction reveal heterogeneous domain transformation behavior in a bulk relaxor ferroelectric

DOE PAGES

Pramanick, Abhijit; Stoica, Alexandru D.; An, Ke

2016-09-02

In-situ measurement of fine-structure of neutron Bragg diffraction peaks from a relaxor single-crystal using a time-of-flight instrument reveals highly heterogeneous mesoscale domain transformation behavior under applied electric fields. We observed that only 25% of domains undergo reorienta- tion or phase transition contributing to large average strains, while at least 40% remain invariant and exhibit microstrains. Such insights could be central for designing new relaxor materials with better performance and longevity. The current experimental technique can also be applied to resolve com- plex mesoscale phenomena in other functional materials.

Surface and interface analysis of poly-hydroxyethylmethacrylate-coated anodic aluminium oxide membranes

NASA Astrophysics Data System (ADS)

Ali, Nurshahidah; Duan, Xiaofei; Jiang, Zhong-Tao; Goh, Bee Min; Lamb, Robert; Tadich, Anton; Poinern, Gérrard Eddy Jai; Fawcett, Derek; Chapman, Peter; Singh, Pritam

2014-01-01

The surface and interface of poly (2-hydroxyethylmethacrylate) (PHEMA) and anodic aluminium oxide (AAO) membranes were comprehensively investigated using Near Edge X-ray Absorption Fine Structure (NEXAFS) spectroscopy. It was found that 1s→π* (Cdbnd O) and 1s→σ* (Csbnd O) transitions were dominant on the surface of both bulk PHEMA polymer and PHEMA-surface coated AAO (AAO-PHEMA) composite. Findings from NEXAFS, Fourier-Transform Infrared (FTIR) and X-ray Photoelectron Spectroscopy (XPS) analyses suggest the possibility of chemical interaction between carbon from the ester group of polymer and AAO membrane.

Relativistic Coulomb Problem for Z Larger than 137

NASA Astrophysics Data System (ADS)

Alhaidari, A. D.

We propose a relativistic one-parameter Hermitian theory for the Coulomb problem with an electric charge greater than 137. In the nonrelativistic limit, the theory becomes identical to the Schrödinger-Coulomb problem for all Z. Moreover, it agrees with the Dirac-Coulomb problem to order (αZ)2, where α is the fine structure constant. The vacuum in the theory is stable and does not suffer from the "charged vacuum" problem for all Z. Moreover, transition between positive and negative energy states could be eliminated. The relativistic bound states energy spectrum and corresponding spinor wave functions are obtained.

The Geographic Concentration of Enterprise in Developing Countries

PubMed Central

Felkner, John S.; Townsend, Robert M.

2011-01-01

A nation’s economic geography can have an enormous impact on its development. In Thailand, we show that a high concentration of enterprise in an area predicts high subsequent growth in and around that area. We also find spatially contiguous convergence of enterprise with stagnant areas left behind. Exogenous physiographic conditions are correlated with enterprise location and growth. We fit a structural, micro-founded model of occupation transitions with fine-tuned geographic capabilities to village data and replicate these salient facts. Key elements of the model include costs, credit constraints on occupation choice, and spatially varying expansion of financial service providers. PMID:22844158

Mechanical energy storage performance of an aluminum fumarate metal–organic framework† †Electronic supplementary information (ESI) available: Experimental procedures, X-ray diffraction, and molecular simulation. See DOI: 10.1039/c5sc02794b

PubMed Central

Vanduyfhuys, Louis; Alvarez, Elsa; Rodriguez, Julien; Itié, Jean-Paul; Fabry, Paul; Guillou, Nathalie; Devic, Thomas; Beurroies, Isabelle; Llewellyn, Philip L.; Van Speybroeck, Veronique; Serre, Christian; Maurin, Guillaume

2016-01-01

The aluminum fumarate MOF A520 or MIL-53–FA is revealed to be a promising material for mechanical energy-related applications with performances in terms of work and heat energies which surpass those of any porous solids reported so far. Complementary experimental and computational tools are deployed to finely characterize and understand the pressure-induced structural transition at the origin of these unprecedented levels of performance. PMID:29861993

Herschel Observations of C+ in the Vicinity of Star Forming Complexes in the Galactic Plane

NASA Astrophysics Data System (ADS)

Pineda, Jorge; Velusamy, T.; Langer, W.; Goldsmith, P.; Li, D.; Yorke, H.

2010-05-01

The CII fine-structure line at 158 um, is an excellent tracer of the warm diffuse gas and the hot, dense Photon Dominated Regions (PDRs). We can, therefore, use the CII emission as a probe to understand the effects of star formation on their interstellar environment. Here we present the first results from the Galactic Observations of Terahertz C+ (GOT C+), a Herschel Key Project study of CII fine structure emission in the vicinity of star forming complexes. In the Priority Science Phase of HIFI observations, the GOT C+ project collects data along a dozen lines of sight passing near star forming regions in the inner Galaxy from longitude 310 degrees to 25 degrees. We discuss our first results on the transition between dense and hot gas (traced by CII) and dense and cold gas (traced by 12CO and 13CO). This research was conducted at the Jet Propulsion Laboratory, California Institute of Technology under contract with the National Aeronautics and Space Administration. JLP was supported under the NASA Postdoctoral Program at JPL, Caltech, administered by Oak Ridge Associated Universities through a contract with NASA, and is currently supported as a Caltech-JPL Postdoc.

Reanalysis and extension of the MnH A7Π- X7Σ + (0, 0) band: Fine structure and hyperfine-induced rotational branches

NASA Astrophysics Data System (ADS)

Varberg, Thomas D.; Gray, Jeffrey A.; Field, Robert W.; Merer, Anthony J.

1992-12-01

The A7Π- X7Σ + (0, 0) band of MnH at 568 nm has been recorded by laser fluorescence excitation spectroscopy. The original rotational analysis of Nevin [ Proc. R. Irish Acad.48A, 1-45 (1942); 50A, 123-137 (1945)] has been extended with some corrections at low J. Systematic internal hyperfine perturbations in the X7Σ + state, caused by the Δ N = 0, Δ J = ±1 matrix elements of the 55Mn hyperfine term in the Hamiltonian, have been observed in all seven electron spin components over the entire range of N″ studied. These perturbations destroy the "goodness" of J″ as a quantum number, giving rise to hyperfine-induced Δ J = ±2 rotational branches and to observable energy shifts of the most severely affected levels. The A7Π state, with A = 40.5 cm -1 and B = 6.35 cm -1, evolves rapidly from Hund's case ( a) to case ( b) coupling, which produces anomalous branch patterns at low J. A total of 156 rotational branches have been identified and fitted by least squares to an effective Hamiltonian, providing precise values for the rotational and fine structure constants. Values of the principal constants determined in the fit are (1σ errors in units of the last digit are listed in parentheses): The fine structures of the A7Π and X7Σ + states confirm the assignment of the A ← X transition as Mn 4 pπ ← 4 sσ in the presence of a spectator, nonbonding Mn 3 d5 ( 6S) open core.

Route to the Smallest Doped Semiconductor: Mn(2+)-Doped (CdSe)13 Clusters.

PubMed

Yang, Jiwoong; Fainblat, Rachel; Kwon, Soon Gu; Muckel, Franziska; Yu, Jung Ho; Terlinden, Hendrik; Kim, Byung Hyo; Iavarone, Dino; Choi, Moon Kee; Kim, In Young; Park, Inchul; Hong, Hyo-Ki; Lee, Jihwa; Son, Jae Sung; Lee, Zonghoon; Kang, Kisuk; Hwang, Seong-Ju; Bacher, Gerd; Hyeon, Taeghwan

2015-10-14

Doping semiconductor nanocrystals with magnetic transition-metal ions has attracted fundamental interest to obtain a nanoscale dilute magnetic semiconductor, which has unique spin exchange interaction between magnetic spin and exciton. So far, the study on the doped semiconductor NCs has usually been conducted with NCs with larger than 2 nm because of synthetic challenges. Herein, we report the synthesis and characterization of Mn(2+)-doped (CdSe)13 clusters, the smallest doped semiconductors. In this study, single-sized doped clusters are produced in large scale. Despite their small size, these clusters have semiconductor band structure instead of that of molecules. Surprisingly, the clusters show multiple excitonic transitions with different magneto-optical activities, which can be attributed to the fine structure splitting. Magneto-optically active states exhibit giant Zeeman splittings up to elevated temperatures (128 K) with large g-factors of 81(±8) at 4 K. Our results present a new synthetic method for doped clusters and facilitate the understanding of doped semiconductor at the boundary of molecules and quantum nanostructure.

Pressure-Induced Structural Evolution and Band Gap Shifts of Organometal Halide Perovskite-Based Methylammonium Lead Chloride.

PubMed

Wang, Lingrui; Wang, Kai; Xiao, Guanjun; Zeng, Qiaoshi; Zou, Bo

2016-12-15

Organometal halide perovskites are promising materials for optoelectronic devices. Further development of these devices requires a deep understanding of their fundamental structure-property relationships. The effect of pressure on the structural evolution and band gap shifts of methylammonium lead chloride (MAPbCl 3 ) was investigated systematically. Synchrotron X-ray diffraction and Raman experiments provided structural information on the shrinkage, tilting distortion, and amorphization of the primitive cubic unit cell. In situ high pressure optical absorption and photoluminescence spectra manifested that the band gap of MAPbCl 3 could be fine-tuned to the ultraviolet region by pressure. The optical changes are correlated with pressure-induced structural evolution of MAPbCl 3 , as evidenced by band gap shifts. Comparisons between Pb-hybrid perovskites and inorganic octahedra provided insights on the effects of halogens on pressure-induced transition sequences of these compounds. Our results improve the understanding of the structural and optical properties of organometal halide perovskites.

Fine structure of heliumlike ions and determination of the fine structure constant.

PubMed

Pachucki, Krzysztof; Yerokhin, Vladimir A

2010-02-19

We report a calculation of the fine-structure splitting in light heliumlike atoms, which accounts for all quantum electrodynamical effects up to order alpha{5} Ry. For the helium atom, we resolve the previously reported disagreement between theory and experiment and determine the fine-structure constant with an accuracy of 31 ppb. The calculational results are extensively checked by comparison with the experimental data for different nuclear charges and by evaluation of the hydrogenic limit of individual corrections.

Nanoscale heterogeneity as remnant hexagonal-type local structures in shocked Cu-Pb and Zr

NASA Astrophysics Data System (ADS)

Tayal, Akhil; Conradson, Steven D.; Batuk, Olga N.; Fensin, Saryu; Cerreta, Ellen; Gray, George T.; Saxena, Avadh

2017-09-01

Extended X-ray absorption fine structure spectroscopy was used to determine the local structure in: (1) Zr that had undergone quasistatic elongation; (2) Zr that had undergone plastic deformation by shock at pressures above and below the ω-phase transformation; and (3) shocked Cu that contained a few percent of insoluble Pb. Below the transition pressure, Zr samples showed only general disorder as increases in the widths of the Zr-Zr pair distributions. Above this pressure, Zr that was a mixture of the original hcp and the high pressure ω-phase when measured by diffraction showed two sets of peaks in its distribution corresponding to these two phases. Some of the ones from the ω-phase were at distances substantially different from those calculated from the diffraction pattern, although they are still consistent with small domains exhibiting stacking faults associated with hexagonal-type structural components exhibiting variability in the [0001] basal plane spacing. A similar result, new pairs at just over 3 and 4 Å consistent with hexagonal-type stacking faults in addition to the original fcc structure, is found in shocked Cu despite the absence of a second diffraction pattern and peak pressures being far below those expected to induce an fcc to hcp transition. This result, therefore, demonstrates that the correlation between high strain rates and reduced stacking fault energy continues down to the length scale of atom pairs. These findings are significant as: (1) a microscopic description of the behavior of systems far from equilibrium; (2) a demonstration of the importance of strain rate at short length scales; and (3) a bridge between the abruptness of macroscopic pressure-induced phase transitions and the continuity of martensitic ones over their fluctuation region in terms of the inverse relationship between the length scale of the martensitic texture, manifested here as ordered lattice distortions and the lower pressure at which such texture first appears relative to the bulk transition pressure.

Beyond Solar-B: MTRAP, the Magnetic Transition Region Probe

NASA Technical Reports Server (NTRS)

Davis, John M.; Moore, Ronald L.; Hathaway, David H.

2003-01-01

The next generation of solar missions will reveal and measure fine-scale solar magnetic fields and their effects in the solar atmosphere at heights, small scales, sensitivities, and fields of view well beyond the reach of Solar-B. The necessity for, and potential of, such observations for understanding solar magnetic fields, their generation in and below the photosphere, and their control of the solar atmosphere and heliosphere, were the focus of a science definition workshop, 'High-Resolution Solar Magnetography from Space: Beyond Solar-B,' held in Huntsville Alabama in April 2001. Forty internationally prominent scientists active in solar research involving fine-scale solar magnetism participated in this Workshop and reached consensus that the key science objective to be pursued beyond Solar-B is a physical understanding of the fine-scale magnetic structure and activity in the magnetic transition region, defined as the region between the photosphere and corona where neither the plasma nor the magnetic field strongly dominates the other. The observational objective requires high cadence (less than 10s) vector magnetic field maps, and spatially resolved spectra from the IR, visible, vacuum UV, to the EUV at high resolution (less than 50km) over a large FOV (approximately 140,000 km). A polarimetric resolution of one part in ten thousand is required to measure transverse magnetic fields of less than 30G. The latest SEC Roadmap includes a mission identified as MTRAP to meet these requirements. Enabling technology development requirements include large, lightweight, reflecting optics, large format sensors (16K x 16K pixels) with high QE at 150 nm, and extendable spacecraft structures. The Science Organizing Committee of the Beyond Solar-B Workshop recommends that: (1) Science and Technology Definition Teams should be established in FY04 to finalize the science requirements and to define technology development efforts needed to ensure the practicality of MTRAP's observational goals; (2) The necessary technology development funding should be included in Code S budgets for FY06 and beyond to prepare MTRAP for a new start no later than the nominal end of the Solar-B mission, around 2010.

Beyond Solar-B: MTRAP, the Magnetic TRAnsition Region Probe

NASA Astrophysics Data System (ADS)

Davis, J. M.; Moore, R. L.; Hathaway, D. H.; Science Definition CommitteeHigh-Resolution Solar Magnetography Beyond Solar-B Team

2003-05-01

The next generation of solar missions will reveal and measure fine-scale solar magnetic fields and their effects in the solar atmosphere at heights, small scales, sensitivities, and fields of view well beyond the reach of Solar-B. The necessity for, and potential of, such observations for understanding solar magnetic fields, their generation in and below the photosphere, and their control of the solar atmosphere and heliosphere, were the focus of a science definition workshop, "High-Resolution Solar Magnetography from Space: Beyond Solar-B," held in Huntsville Alabama in April 2001. Forty internationally prominent scientists active in solar research involving fine-scale solar magnetism participated in this Workshop and reached consensus that the key science objective to be pursued beyond Solar-B is a physical understanding of the fine-scale magnetic structure and activity in the magnetic transition region, defined as the region between the photosphere and corona where neither the plasma nor the magnetic field strongly dominates the other. The observational objective requires high cadence (< 10s) vector magnetic field maps, and spatially resolved spectra from the IR, visible, vacuum UV, to the EUV at high resolution (< 50km) over a large FOV ( 140,000 km). A polarimetric resolution of one part in ten thousand is required to measure transverse magnetic fields of < 30G. The latest SEC Roadmap includes a mission identified as MTRAP to meet these requirements. Enabling technology development requirements include large, lightweight, reflecting optics, large format sensors (16K x 16K pixels) with high QE at 150 nm, and extendable spacecraft structures. The Science Organizing Committee of the Beyond Solar-B Workshop recommends that: 1. Science and Technology Definition Teams should be established in FY04 to finalize the science requirements and to define technology development efforts needed to ensure the practicality of MTRAP's observational goals. 2. The necessary technology development funding should be included in Code S budgets for FY06 and beyond to prepare MTRAP for a new start no later than the nominal end of the Solar-B mission, around 2010.

Local electronic structure and nanolevel hierarchical organization of bone tissue: theory and NEXAFS study

NASA Astrophysics Data System (ADS)

Pavlychev, A. A.; Avrunin, A. S.; Vinogradov, A. S.; Filatova, E. O.; Doctorov, A. A.; Krivosenko, Yu S.; Samoilenko, D. O.; Svirskiy, G. I.; Konashuk, A. S.; Rostov, D. A.

2016-12-01

Theoretical and experimental investigations of native bone are carried out to understand relationships between its hierarchical organization and local electronic and atomic structure of the mineralized phase. The 3D superlattice model of a coplanar assembly of the hydroxyapatite (HAP) nanocrystallites separated by the hydrated nanolayers is introduced to account the interplay of short-, long- and super-range order parameters in bone tissue. The model is applied to (i) predict and rationalize the HAP-to-bone spectral changes in the electronic structure and (ii) describe the mechanisms ensuring the link of the hierarchical organization with the electronic structure of the mineralized phase in bone. To check the predictions the near-edge x-ray absorption fine structure (NEXAFS) at the Ca 2p, P 2p and O 1s thresholds is measured for native bone and compared with NEXAFS for reference compounds. The NEXAFS analysis has demonstrated the essential hierarchy induced HAP-to-bone red shifts of the Ca and P 2p-to-valence transitions. The lowest O 1s excitation line at 532.2 eV in bone is assigned with superposition of core transitions in the hydroxide OH-(H2O) m anions, Ca2+(H2O) n cations, the carboxyl groups inside the collagen and [PO4]2- and [PO4]- anions with unsaturated P-O bonds.

Interactions between coherent twin boundaries and phase transition of iron under dynamic loading and unloading

NASA Astrophysics Data System (ADS)

Wang, Kun; Chen, Jun; Zhang, Xueyang; Zhu, Wenjun

2017-09-01

Phase transitions and deformation twins are constantly reported in many BCC metals under high pressure, whose interactions are of fundamental importance to understand the strengthening mechanism of these metals under extreme conditions. However, the interactions between twins and phase transition in BCC metals remain largely unexplored. In this work, interactions between coherent twin boundaries and α ↔ ɛ phase transition of iron are investigated using both non-equilibrium molecular dynamics simulations and the nudged elastic band method. Mechanisms of both twin-assisted phase transition and reverse phase transition are studied, and orientation relationships between BCC and HCP phases are found to be ⟨"separators="|11 1 ¯ ⟩ B C C||⟨"separators="|1 ¯2 1 ¯ 0 ⟩ H C P and ⟨"separators="|1 1 ¯ 0 ⟩ B C C||⟨"separators="|0001 ⟩ H C P for both cases. The twin boundary corresponds to {"separators="|10 1 ¯ 0 } H C P after the phase transition. It is amazing that the reverse transition seems to be able to "memorize" and recover the initial BCC twins. The memory would be partly lost when plastic slips take place in the HCP phase before the reverse transition. In the recovered initial BCC twins, three major twin spacings are observed, which are well explained in terms of energy barriers of transition from the HCP phase to the BCC twin. Besides, the variant selection rule of the twin assisted phase transition is also discussed. The results of present work could be expected to give some clues for producing ultra-fine grain structures in materials exhibiting martensitic phase transition.

Herschel Far Infrared Spectra of Dusty Star-Forming Galaxies

NASA Astrophysics Data System (ADS)

Wilson, Derek; Cooray, Asantha R.; Nayyeri, Hooshang

2017-01-01

We stack archival spectra from the Herschel Space Observatory's SPIRE Spectrometer in three redshift bins from low redshifts (z < 0.2), through intermediate redshifts (0.2 < z < 1), and up to high redshifts (z > 1) in order to determine the average properties of the gas and dust in dusty, star-forming galaxies and (U)LIRGs. In the lower-redshift stack, we detect a host of water and carbon monoxide rotational transition lines, as well as some fine structure lines such as [NII]. At intermediate redshifts, only a [CII] line appears. The high-redshift stack displays strong [CII] emission, as well as faint emission from [OI] and [OIII]. The observed emission lines are used to model the average number density and radiation field strength in the photodissociation regions of our high-redshift sample, and the spectral line energy distributions of CO rotational transitions from the low-redshift stack are presented.

Interface engineering of quantum Hall effects in digital transition metal oxide heterostructures.

PubMed

Xiao, Di; Zhu, Wenguang; Ran, Ying; Nagaosa, Naoto; Okamoto, Satoshi

2011-12-20

Topological insulators are characterized by a non-trivial band topology driven by the spin-orbit coupling. To fully explore the fundamental science and application of topological insulators, material realization is indispensable. Here we predict, based on tight-binding modelling and first-principles calculations, that bilayers of perovskite-type transition-metal oxides grown along the [111] crystallographic axis are potential candidates for two-dimensional topological insulators. The topological band structure of these materials can be fine-tuned by changing dopant ions, substrates and external gate voltages. We predict that LaAuO(3) bilayers have a topologically non-trivial energy gap of about 0.15 eV, which is sufficiently large to realize the quantum spin Hall effect at room temperature. Intriguing phenomena, such as fractional quantum Hall effect, associated with the nearly flat topologically non-trivial bands found in e(g) systems are also discussed.

High sensitive THz superconducting hot electron bolometer mixers and transition edge sensors

NASA Astrophysics Data System (ADS)

Zhang, W.; Miao, W.; Zhou, K. M.; Guo, X. H.; Zhong, J. Q.; Shi, S. C.

2016-11-01

Terahertz band, which is roughly defined as 0.1 THz to 10 THz, is an interesting frequency region of the electromagnetic spectrum to be fully explored in astronomy. THz observations play key roles in astrophysics and cosmology. High sensitive heterodyne and direct detectors are the main tools for the detection of molecular spectral lines and fine atomic structure spectral lines, which are very important tracers for probing the physical and chemical properties and dynamic processes of objects such as star and planetary systems. China is planning to build an THz telescope at Dome A, Antarctica, a unique site for ground-based THz observations. We are developing THz superconducting hot electron bolometer (HEB) mixers and transition edge sensors (TES), which are quantum limited and back-ground limited detectors, respectively. Here we first introduce the working principles of superconducting HEB and TES, and then mainly present the results achieved at Purple mountain Observatory.

Using emulsion inversion in industrial processes.

PubMed

Salager, Jean-Louis; Forgiarini, Ana; Márquez, Laura; Peña, Alejandro; Pizzino, Aldo; Rodriguez, María P; Rondón-González, Marianna

2004-05-20

Emulsion inversion is a complex phenomenon, often perceived as an instability that is essentially uncontrollable, although many industrial processes make use of it. A research effort that started 2 decades ago has provided the two-dimensional and three-dimensional description, the categorization and the theoretical interpretation of the different kinds of emulsion inversion. A clear-cut phenomenological approach is currently available for understanding its characteristics, the factors that influence it and control it, the importance of fine-tuning the emulsification protocol, and the crucial occurrence of organized structures such as liquid crystals or multiple emulsions. The current know-how is used to analyze some industrial processes involving emulsion inversion, e.g. the attainment of a fine nutrient or cosmetic emulsion by temperature or formulation-induced transitional inversion, the preparation of a silicone oil emulsion by catastrophic phase inversion, the manufacture of a viscous polymer latex by combined inversion and the spontaneous but enigmatic inversion of emulsions used in metal working operations such as lathing or lamination.

Fault geometries and deformation mechanisms in the evolution of low-angle normal faults (Kea, Greece)

NASA Astrophysics Data System (ADS)

Iglseder, C.; Grasemann, B.; Schneider, D.; Rice, A. H. N.; Stöckli, D.; Rockenschaub, M.

2009-04-01

The overall tectonic regime in the Cyclades since the Oligocene has been characterized by crustal extension, accommodated by movements on low-angle normal faults (LANFs). On Kea, structural investigations have demonstrated the existence of an island-wide LANF within a large-scale ductile-brittle shear-zone traceable over a distance of 19.5 km parallel to the stretching lineation. The tectonostratigraphy comprises Attic-Cycladic Crystalline lithologies with a shallowly-dipping schist-calcite marble unit overlain by calcitic and dolomitic fault rocks. Notably, the calcitic marbles have been mylonitized, with a mean NNE/NE-SSW/SW trending, pervasive stretching lineation and intense isoclinal folding with fold axes parallel to the stretching lineation. Numerous SC-SCĆ-fabrics and monoclinic clast-geometries show a consistent top-to-SSW shear-sense. Recorded within all lithologies is a consistent WNW/NW-ESE/SE and NNE/NE-SSW/SW striking network of conjugated brittle, brittle-ductile high-angle faults perpendicular and (sub)parallel to the main stretching direction. Field evidence and microstructural investigations indicate high-angle normal faults formed synchronously with movement on LANFs. This interplay of LANFs with high-angle structures, initiated and evolved from brittle-ductile to brittle conditions, indicates initial stages of movement below the calcite brittle-ductile transition but above the dolomite transition. Weakening processes related to syntectonic fluid-rock interactions highlight these observations. In particular, grain-size reduction and strain localisation in fine-grained (ultra)-cataclasites and fine-grained aggregates of phyllosilicate-rich fault-rocks promoted fluid-flow and pressure-solution-accommodated ‘frictional-viscous' creep. These mechanisms show the importance for LANF slip and movement in the progressive development and interaction between contemporaneous active normal faults in the Andersonian-Byerlee frictional mechanics.

Experimental Investigation of the Behavior of Sub-Grid Scale Motions in Turbulent Shear Flow

NASA Technical Reports Server (NTRS)

Cantwell, Brian

1992-01-01

Experiments have been carried out on a vertical jet of helium issuing into a co-flow of air at a fixed exit velocity ratio of 2.0. At all the experimental conditions studied, the flow exhibits a strong self excited periodicity. The natural frequency behavior of the jet, the underlying fine-scale flow structure, and the transition to turbulence have been studied over a wide range of flow conditions. The experiments were conducted in a variable pressure facility which made it possible to vary the Reynolds number and Richardson number independently. A stroboscopic schlieren system was used for flow visualization and single-component Laser Doppler Anemometry was used to measure the axial component of velocity. The flow exhibits several interesting features. The presence of co-flow eliminates the random meandering typical of buoyant plumes in a quiescent environment and the periodicity of the helium jet under high Richardson number conditions is striking. Under these conditions transition to turbulence consists of a rapid but highly structured and repeatable breakdown and intermingling of jet and freestream fluid. At Ri = 1.6 the three-dimensional structure of the flow is seen to repeat from cycle to cycle. The point of transition moves closer to the jet exit as either the Reynolds number or the Richardson number increases. The wavelength of the longitudinal instability increases with Richardson number. At low Richardson numbers, the natural frequency scales on an inertial time scale. At high Richardson number the natural frequency scales on a buoyancy time scale. The transition from one flow regime to another occurs over a narrow range of Richardson numbers from 0.7 to 1. A buoyancy Strouhal number is used to correlate the high Richardson number frequency behavior.

Fine-scale structure in the far-infrared Milky-Way

NASA Technical Reports Server (NTRS)

Waller, William H.; Wall, William F.; Reach, William T.; Varosi, Frank; Ebert, Rick; Laughlin, Gaylin; Boulanger, Francois

1995-01-01

This final report summarizes the work performed and which falls into five broad categories: (1) generation of a new data product (mosaics of the far-infrared emission in the Milky Way); (2) acquisition of associated data products at other wavelengths; (3) spatial filtering of the far-infrared mosaics and resulting images of the FIR fine-scale structure; (4) evaluation of the spatially filtered data; (5) characterization of the FIR fine-scale structure in terms of its spatial statistics; and (6) identification of interstellar counterparts to the FIR fine-scale structure.

Cyclic electron flow is redox-controlled but independent of state transition.

PubMed

Takahashi, Hiroko; Clowez, Sophie; Wollman, Francis-André; Vallon, Olivier; Rappaport, Fabrice

2013-01-01

Photosynthesis is the biological process that feeds the biosphere with reduced carbon. The assimilation of CO2 requires the fine tuning of two co-existing functional modes: linear electron flow, which provides NADPH and ATP, and cyclic electron flow, which only sustains ATP synthesis. Although the importance of this fine tuning is appreciated, its mechanism remains equivocal. Here we show that cyclic electron flow as well as formation of supercomplexes, thought to contribute to the enhancement of cyclic electron flow, are promoted in reducing conditions with no correlation with the reorganization of the thylakoid membranes associated with the migration of antenna proteins towards Photosystems I or II, a process known as state transition. We show that cyclic electron flow is tuned by the redox power and this provides a mechanistic model applying to the entire green lineage including the vast majority of the cases in which state transition only involves a moderate fraction of the antenna.

Plasmonic- and dielectric-based structural coloring: from fundamentals to practical applications

NASA Astrophysics Data System (ADS)

Lee, Taejun; Jang, Jaehyuck; Jeong, Heonyeong; Rho, Junsuk

2018-01-01

Structural coloring is production of color by surfaces that have microstructure fine enough to interfere with visible light; this phenomenon provides a novel paradigm for color printing. Plasmonic color is an emergent property of the interaction between light and metallic surfaces. This phenomenon can surpass the diffraction limit and achieve near unlimited lifetime. We categorize plasmonic color filters according to their designs (hole, rod, metal-insulator-metal, grating), and also describe structures supported by Mie resonance. We discuss the principles, and the merits and demerits of each color filter. We also discuss a new concept of color filters with tunability and reconfigurability, which enable printing of structural color to yield dynamic coloring at will. Approaches for dynamic coloring are classified as liquid crystal, chemical transition and mechanical deformation. At the end of review, we highlight a scale-up of fabrication methods, including nanoimprinting, self-assembly and laser-induced process that may enable real-world application of structural coloring.

Effect of Fe-substitution on the structure and magnetism of single crystals Mn2-xFexBO4

NASA Astrophysics Data System (ADS)

Platunov, M. S.; Kazak, N. V.; Knyazev, Yu. V.; Bezmaternykh, L. N.; Moshkina, E. M.; Trigub, A. L.; Veligzhanin, A. A.; Zubavichus, Y. V.; Solovyov, L. A.; Velikanov, D. A.; Ovchinnikov, S. G.

2017-10-01

Single crystalline Mn2-xFexBO4 with x = 0.3, 0.5, 0.7 grown by the flux method have been studied by means of X-ray diffraction and X-ray absorption spectroscopy at both Mn and Fe K edges. The compounds were found to crystallize in an orthorhombic warwickite structure (sp. gr. Pnam). The lattice parameters change linearly with x thus obeying the Vegard's law. The Fe3+ substitution for Mn3+ has been deduced from the X-ray absorption near-edge structure (XANES) spectra. Two energy positions of the absorption edges have been observed in Mn K-edge XANES spectra indicating the presence of manganese in two different oxidation states. Extended X-ray absorption fine structure (EXAFS) analysis has shown the reduction of local structural distortions upon Fe substitution. The magnetization data have revealed a spin-glass transition at TSG = 11, 14 and 18 K for x = 0.3, 0.5 and 0.7, respectively.

Thermodynamics of strongly coupled repulsive Yukawa particles in ambient neutralizing plasma: Thermodynamic instability and the possibility of observation in fine particle plasmas

NASA Astrophysics Data System (ADS)

Totsuji, Hiroo

2008-07-01

The thermodynamics is analyzed for a system composed of particles with hard cores, interacting via the repulsive Yukawa potential (Yukawa particulates), and neutralizing ambient (background) plasma. An approximate equation of state is given with proper account of the contribution of ambient plasma and it is shown that there exists a possibility for the total isothermal compressibility of Yukawa particulates and ambient plasma to diverge when the coupling between Yukawa particulates is sufficiently strong. In this case, the system undergoes a transition into separated phases with different densities and we have a critical point for this phase separation. Examples of approximate phase diagrams related to this transition are given. It is emphasized that the critical point can be in the solid phase and we have the possibility to observe a solid-solid phase separation. The applicability of these results to fine particle plasmas is investigated. It is shown that, though the values of the characteristic parameters are semiquantitative due to the effects not described by this model, these phenomena are expected to be observed in fine particle plasmas, when approximately isotropic bulk systems are realized with a very strong coupling between fine particles.

Salt- and pH-Triggered Helix-Coil Transition of Ionic Polypeptides under Physiology Conditions.

PubMed

Yuan, Jingsong; Zhang, Yi; Sun, Yue; Cai, Zhicheng; Yang, Lijiang; Lu, Hua

2018-06-11

Controlling the helix-coil transition of polypeptides under physiological conditions is an attractive way toward smart functional materials. Here, we report the synthesis of a series of tertiary amine-functionalized ethylene glycol (EG x )-linked polypeptide electrolytes with their secondary structures tunable under physiological conditions. The resultant polymers, denoted as P(EG x DMA-Glu) ( x = 1, 2, and 3), show excellent aqueous solubility (>20 mg/mL) regardless of their charge states. Unlike poly-l-lysine that can form a helix only at pH above 10, P(EG x DMA-Glu) undergo a pH-dependent helix-coil switch with their transition points within the physiological range (pH ∼5.3-6.5). Meanwhile, P(EG x DMA-Glu) exhibit an unusual salt-induced helical conformation presumably owing to the unique properties of EG x linkers. Together, the current work highlights the importance of fine-tuning the linker chemistry in achieving conformation-switchable polypeptides and represents a facile approach toward stimuli-responsive biopolymers for advanced biological applications.

Frequency measurement of the 2 S10-3 D12 two-photon transition in atomic 4He

NASA Astrophysics Data System (ADS)

Huang, Yi-Jan; Guan, Yu-Chan; Huang, Yao-Chin; Suen, Te-Hwei; Peng, Jin-Long; Wang, Li-Bang; Shy, Jow-Tsong

2018-03-01

We present precise frequency measurement of the 2 S10-3 D12 two-photon transition in 4He at 1009 nm. The laser source at 1009 nm is stabilized on an optical frequency comb to perform the absolute frequency measurement. The absolute frequency of 2 S10-3 D12 transition is experimentally determined to be 594 414 291.803(13) MHz with a relative uncertainty of 1.6 ×10-11 , which is more precise than previous determinations by a factor of 25. In combination with the theoretical ionization energy of the 3 D12 state, the ionization energy of the 2 S10 state is determined to be 960 332 040.823(24) MHz. In addition, the deduced 2 S10 and 2 S31 Lamb shifts are 2806.864(24) MHz and 4058.130(24) MHz, respectively, which are 1.6 times better than previous determinations, and the fine structure 3 D31-3 D12 is determined to be 101 143.889(29) MHz, improving the precedent determination by a factor of 11.

Epitaxy, strain, and composition effects on metal-insulator transition characteristics of SmNiO{sub 3} thin films

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

Aydogdu, Gulgun H.; Ha, Sieu D.; Viswanath, B.

SmNiO{sub 3} (SNO) thin films were deposited on LaAlO{sub 3} (LAO), SrTiO{sub 3}, SrLaAlO{sub 4}, Si, and Al{sub 2}O{sub 3} (sapphire) substrates by RF magnetron sputtering and studies were conducted to understand how film structure and composition influence the insulator-metal transition properties. It is observed that the compressive strain induces the insulator to metal transition (MIT), while tensile strain suppresses it. In the case of non-epitaxial films, semiconducting behavior is obtained on sapphire over a broad temperature range, while on heavily-doped Si substrate; an MIT is seen in out-of-plane resistance measurement. In addition, thickness dependence on the resistance behavior andmore » nickel oxidation state has been examined for epitaxial SNO films on LAO substrates. Fine control of the MIT by modifications to the mismatch strain and thickness provides insights to enhance the performance and the functionality of these films for emerging electron devices.« less

Reducing Iridium Loading in Oxygen Evolution Reaction Electrocatalysts Using Core–Shell Particles with Nitride Cores

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

Tackett, Brian M.; Sheng, Wenchao; Kattel, Shyam

Here, the oxygen evolution reaction (OER) has broad applications in electrochemical devices, but it often requires expensive and scarce Ir-based catalysts in acid electrolyte. Presented here is a framework to reduce Ir loading by combining core–shell iridium/metal nitride morphologies using in situ experiments and density functional theory (DFT) calculations. Several group VIII transition metal (Fe, Co, and Ni) nitrides are studied as core materials, with Ir/Fe 4N core–shell particles showing enhancement in both OER activity and stability. In situ X-ray absorption fine structure measurements are used to determine the structure and stability of the core–shell catalysts under OER conditions. DFTmore » calculations are used to demonstrate adsorbate binding energies as descriptors of the observed activity trends.« less

Graph configuration model based evaluation of the education-occupation match

PubMed Central

2018-01-01

To study education—occupation matchings we developed a bipartite network model of education to work transition and a graph configuration model based metric. We studied the career paths of 15 thousand Hungarian students based on the integrated database of the National Tax Administration, the National Health Insurance Fund, and the higher education information system of the Hungarian Government. A brief analysis of gender pay gap and the spatial distribution of over-education is presented to demonstrate the background of the research and the resulted open dataset. We highlighted the hierarchical and clustered structure of the career paths based on the multi-resolution analysis of the graph modularity. The results of the cluster analysis can support policymakers to fine-tune the fragmented program structure of higher education. PMID:29509783

Graph configuration model based evaluation of the education-occupation match.

PubMed

Gadar, Laszlo; Abonyi, Janos

2018-01-01

To study education-occupation matchings we developed a bipartite network model of education to work transition and a graph configuration model based metric. We studied the career paths of 15 thousand Hungarian students based on the integrated database of the National Tax Administration, the National Health Insurance Fund, and the higher education information system of the Hungarian Government. A brief analysis of gender pay gap and the spatial distribution of over-education is presented to demonstrate the background of the research and the resulted open dataset. We highlighted the hierarchical and clustered structure of the career paths based on the multi-resolution analysis of the graph modularity. The results of the cluster analysis can support policymakers to fine-tune the fragmented program structure of higher education.

Reducing Iridium Loading in Oxygen Evolution Reaction Electrocatalysts Using Core–Shell Particles with Nitride Cores

DOE PAGES

Tackett, Brian M.; Sheng, Wenchao; Kattel, Shyam; ...

2018-02-16

Here, the oxygen evolution reaction (OER) has broad applications in electrochemical devices, but it often requires expensive and scarce Ir-based catalysts in acid electrolyte. Presented here is a framework to reduce Ir loading by combining core–shell iridium/metal nitride morphologies using in situ experiments and density functional theory (DFT) calculations. Several group VIII transition metal (Fe, Co, and Ni) nitrides are studied as core materials, with Ir/Fe 4N core–shell particles showing enhancement in both OER activity and stability. In situ X-ray absorption fine structure measurements are used to determine the structure and stability of the core–shell catalysts under OER conditions. DFTmore » calculations are used to demonstrate adsorbate binding energies as descriptors of the observed activity trends.« less

The development and test of a deformable diffraction grating for a stigmatic EUV spectroheliometer

NASA Technical Reports Server (NTRS)

Timothy, J. Gethyn; Walker, A. B. C., Jr.; Morgan, J. S.; Huber, M. C. E.; Tondello, G.

1992-01-01

The objectives were to address currently unanswered fundamental questions concerning the fine scale structure of the chromosphere, transition region, and corona. The unique characteristics of the spectroheliometer was used in combination with plasma diagnostic techniques to study the temperature, density, and velocity structures of specific features in the solar outer atmosphere. A unified understanding was sought of the interplay between the time dependent geometry of the magnetic field structure and the associated flows of mass and energy, the key to which lies in the smallest spatial scales that are unobservable with current EUV instruments. Toroidal diffraction gratings were fabricated and tested by a new technique using an elastically deformable substrate. The toroidal diffraction gratings was procured and tested to be used for the evaluation of the Multi-Anode Microchannel Array (MAMA) detector systems for the Solar Ultraviolet Measurements of Emitted Radiation (SUMER) and UV Coronagraph Spectrometer (UVCS) instruments on the SOHO mission.

Self-assembly of nematic liquid crystal elastomer filaments

NASA Astrophysics Data System (ADS)

Wei, Wei-Shao; Xia, Yu; Yang, Shu; Yodh, A. G.

In this work we investigate the self-assembly of nematic liquid crystal polymer (NLCP) filaments and their corresponding cross-linked elastomer structures. Specifically, by fine-tuning surfactant concentration, prepolymer chain length, and temperature within a background aqueous phase we can generate filaments composed of oligomerized LC monomers. Filaments with narrowly dispersed diameters ranging from one hundred nanometers to a few micrometers can be obtained. Using polarization optical microscopy, we show that the nematic LCs within the filaments have an escaped radial structure. After photo-cross-linking, nematic liquid crystal elastomer filaments are obtained with well-maintained directors and smooth surface structure. Since these materials are elastomers, the size and mechanical and optical response of the filaments can be ''tuned'' near the nematic to isotropic phase transition temperature. This work is supported by NSF DMR16-07378, PENN MRSEC Grant DMR11-20901, and NASA Grant NNX08AO0G.

Effects of interaural time differences in fine structure and envelope on lateral discrimination in electric hearing.

PubMed

Majdak, Piotr; Laback, Bernhard; Baumgartner, Wolf-Dieter

2006-10-01

Bilateral cochlear implant (CI) listeners currently use stimulation strategies which encode interaural time differences (ITD) in the temporal envelope but which do not transmit ITD in the fine structure, due to the constant phase in the electric pulse train. To determine the utility of encoding ITD in the fine structure, ITD-based lateralization was investigated with four CI listeners and four normal hearing (NH) subjects listening to a simulation of electric stimulation. Lateralization discrimination was tested at different pulse rates for various combinations of independently controlled fine structure ITD and envelope ITD. Results for electric hearing show that the fine structure ITD had the strongest impact on lateralization at lower pulse rates, with significant effects for pulse rates up to 800 pulses per second. At higher pulse rates, lateralization discrimination depended solely on the envelope ITD. The data suggest that bilateral CI listeners benefit from transmitting fine structure ITD at lower pulse rates. However, there were strong interindividual differences: the better performing CI listeners performed comparably to the NH listeners.

Integrated Monitoring of Mola mola Behaviour in Space and Time.

PubMed

Sousa, Lara L; López-Castejón, Francisco; Gilabert, Javier; Relvas, Paulo; Couto, Ana; Queiroz, Nuno; Caldas, Renato; Dias, Paulo Sousa; Dias, Hugo; Faria, Margarida; Ferreira, Filipe; Ferreira, António Sérgio; Fortuna, João; Gomes, Ricardo Joel; Loureiro, Bruno; Martins, Ricardo; Madureira, Luis; Neiva, Jorge; Oliveira, Marina; Pereira, João; Pinto, José; Py, Frederic; Queirós, Hugo; Silva, Daniel; Sujit, P B; Zolich, Artur; Johansen, Tor Arne; de Sousa, João Borges; Rajan, Kanna

2016-01-01

Over the last decade, ocean sunfish movements have been monitored worldwide using various satellite tracking methods. This study reports the near-real time monitoring of fine-scale (< 10 m) behaviour of sunfish. The study was conducted in southern Portugal in May 2014 and involved satellite tags and underwater and surface robotic vehicles to measure both the movements and the contextual environment of the fish. A total of four individuals were tracked using custom-made GPS satellite tags providing geolocation estimates of fine-scale resolution. These accurate positions further informed sunfish areas of restricted search (ARS), which were directly correlated to steep thermal frontal zones. Simultaneously, and for two different occasions, an Autonomous Underwater Vehicle (AUV) video-recorded the path of the tracked fish and detected buoyant particles in the water column. Importantly, the densities of these particles were also directly correlated to steep thermal gradients. Thus, both sunfish foraging behaviour (ARS) and possibly prey densities, were found to be influenced by analogous environmental conditions. In addition, the dynamic structure of the water transited by the tracked individuals was described by a Lagrangian modelling approach. The model informed the distribution of zooplankton in the region, both horizontally and in the water column, and the resultant simulated densities positively correlated with sunfish ARS behaviour estimator (rs = 0.184, p<0.001). The model also revealed that tracked fish opportunistically displace with respect to subsurface current flow. Thus, we show how physical forcing and current structure provide a rationale for a predator's fine-scale behaviour observed over a two weeks in May 2014.

Integrated Monitoring of Mola mola Behaviour in Space and Time

PubMed Central

Sousa, Lara L.; López-Castejón, Francisco; Gilabert, Javier; Relvas, Paulo; Couto, Ana; Queiroz, Nuno; Caldas, Renato; Dias, Paulo Sousa; Dias, Hugo; Faria, Margarida; Ferreira, Filipe; Ferreira, António Sérgio; Fortuna, João; Gomes, Ricardo Joel; Loureiro, Bruno; Martins, Ricardo; Madureira, Luis; Neiva, Jorge; Oliveira, Marina; Pereira, João; Pinto, José; Py, Frederic; Queirós, Hugo; Silva, Daniel; Sujit, P. B.; Zolich, Artur; Johansen, Tor Arne; de Sousa, João Borges; Rajan, Kanna

2016-01-01

Over the last decade, ocean sunfish movements have been monitored worldwide using various satellite tracking methods. This study reports the near-real time monitoring of fine-scale (< 10 m) behaviour of sunfish. The study was conducted in southern Portugal in May 2014 and involved satellite tags and underwater and surface robotic vehicles to measure both the movements and the contextual environment of the fish. A total of four individuals were tracked using custom-made GPS satellite tags providing geolocation estimates of fine-scale resolution. These accurate positions further informed sunfish areas of restricted search (ARS), which were directly correlated to steep thermal frontal zones. Simultaneously, and for two different occasions, an Autonomous Underwater Vehicle (AUV) video-recorded the path of the tracked fish and detected buoyant particles in the water column. Importantly, the densities of these particles were also directly correlated to steep thermal gradients. Thus, both sunfish foraging behaviour (ARS) and possibly prey densities, were found to be influenced by analogous environmental conditions. In addition, the dynamic structure of the water transited by the tracked individuals was described by a Lagrangian modelling approach. The model informed the distribution of zooplankton in the region, both horizontally and in the water column, and the resultant simulated densities positively correlated with sunfish ARS behaviour estimator (rs = 0.184, p<0.001). The model also revealed that tracked fish opportunistically displace with respect to subsurface current flow. Thus, we show how physical forcing and current structure provide a rationale for a predator’s fine-scale behaviour observed over a two weeks in May 2014. PMID:27494028

Energy difference between the (v = 0, R = 1) and the (v = 0, R = 3) states of H2(+), measured with interseries microwave spectroscopy of H2 Rydberg states

NASA Astrophysics Data System (ADS)

Arcuni, P. W.; Fu, Z. W.; Lundeen, S. R.

1990-12-01

Several transitions between specific Rydberg levels in the nearly degenerate (v = 0, R = 1) n = 28 and (v = 0, R = 3) n = 16 Rydberg manifolds of H2 with microwave spectroscopy. These measurements can be combined with calculations of the Rydberg fine structure to deduce the energy difference between the two states of the free H2(+) core. The result, E(v = 0, R = 3) - E(v = 0, R = 1) = 288.85900(8)/cm, represents the most precise determination to date of any spectral property of the hydrogen molecular ion.

Resonance rotational level crossing in the fluorosulfate radical FSO3rad and experimental determination of the rotational A and the centrifugal distortion DK constants

NASA Astrophysics Data System (ADS)

Kolesniková, Lucie; Koucký, Jan; Kania, Patrik; Uhlíková, Tereza; Beckers, Helmut; Urban, Štěpán

2018-01-01

The resonance crossing of rotational levels with different fine-structure components and different k rotational quantum numbers was observed in the rotational spectra of the symmetric top fluorosulfate radical FSO3rad. Detailed measurements were performed to analyze these weak resonances as well as the A1-A2 splittings of the K = 3 and K = 6 transitions. The resonance level crossing enabled the experimental determination of "forbidden" parameters, the rotational A and the centrifugal distortion DK constants as well as the corresponding resonance off-diagonal matrix element.

An assessment of ultra fine grained 316L stainless steel for implant applications.

PubMed

Muley, Sachin Vijay; Vidvans, Amey N; Chaudhari, Gajanan P; Udainiya, Sumit

2016-01-01

Ultra fine-grained metals obtained by severe plastic deformation exhibit higher specific strength that is useful for many applications and show promise for use as body implants. This work studied the microstructural evolution, mechanical and sliding wear behavior and corrosion behavior of 316L stainless steel warm multi axially forged at 600°C. Microstructural evolution studied using electron backscatter diffraction technique and transmission electron microscopy confirmed the formation of ultra fine-grained structure. Average grain size reduced from 30μm to 0.86μm after nine strain steps. A combination of Hall-Petch strengthening and strain hardening increased the hardness. Improved sliding wear resistance is attributed to a transition from micro cutting to wedge-forming mode of abrasive wear. Load-bearing orthopedic implants often fail from pitting initiated corrosion fatigue. Potentiodynamic tests, cyclic polarization, and FeCl3 immersion tests revealed enhanced pitting resistance of forged steel that is confirmed by Mott-Schottky analysis. This is ascribed to an increase in the grain boundary volume, and homogenization of pit inducing impurities and non-metallic phases due to severe deformation, which influenced the passive film properties. These model studies on 316L steel demonstrate that severely deformed ultra fine-grained metals have potential to deliver improved implant performance. This model study on 316L steel demonstrates that severely deformed ultra fine-grained (UFG) metals have potential to deliver improved load-bearing implant performance. It is as interesting as is unclear as to how such severely deformed UFG material behaves electrochemically in the corrosive body fluids. This work is on studying the inter-relationship between structure, and mechanical, wear, and corrosion behavior of warm multiaxially forged (MAFed) UFG 316L stainless steel. Warm MAF is a bulk processing method capable of yielding large volume of UFG material and is an easily readily adaptable technique in industry. It can be a promising alternative to the expensive metallic alloys available for implant applications. Copyright © 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Extremely rapid directional change during Matuyama-Brunhes geomagnetic polarity reversal

NASA Astrophysics Data System (ADS)

Sagnotti, Leonardo; Scardia, Giancarlo; Giaccio, Biagio; Liddicoat, Joseph C.; Nomade, Sebastien; Renne, Paul R.; Sprain, Courtney J.

2014-11-01

We report a palaeomagnetic investigation of the last full geomagnetic field reversal, the Matuyama-Brunhes (M-B) transition, as preserved in a continuous sequence of exposed lacustrine sediments in the Apennines of Central Italy. The palaeomagnetic record provides the most direct evidence for the tempo of transitional field behaviour yet obtained for the M-B transition. 40Ar/39Ar dating of tephra layers bracketing the M-B transition provides high-accuracy age constraints and indicates a mean sediment accumulation rate of about 0.2 mm yr-1 during the transition. Two relative palaeointensity (RPI) minima are present in the M-B transition. During the terminus of the upper RPI minimum, a directional change of about 180 ° occurred at an extremely fast rate, estimated to be less than 2 ° per year, with no intermediate virtual geomagnetic poles (VGPs) documented during the transit from the southern to northern hemisphere. Thus, the entry into the Brunhes Normal Chron as represented by the palaeomagnetic directions and VGPs developed in a time interval comparable to the duration of an average human life, which is an order of magnitude more rapid than suggested by current models. The reported investigation therefore provides high-resolution integrated palaeomagnetic and radioisotopic data that document the fine details of the anatomy and tempo of the M-B transition in Central Italy that in turn are crucial for a better understanding of Earth's magnetic field, and for the development of more sophisticated models that are able to describe its global structure and behaviour.

Dynamic molecular structure of plant biomass-derived black carbon (biochar)

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

Keiluweit, M.; Nico, P.S.; Johnson, M.G.

2009-11-15

Char black carbon (BC), the solid residue of incomplete combustion, is continuously being added to soils and sediments due to natural vegetation fires, anthropogenic pollution, and new strategies for carbon sequestration ('biochar'). Here we present a molecular-level assessment of the physical organization and chemical complexity of biomass-derived chars and, specifically, that of aromatic carbon in char structures. BET-N{sub 2} surface area, X-ray diffraction (XRD), synchrotron-based Near-edge X-ray Absorption Fine Structure (NEXAFS), and Fourier transform infrared (FT-IR) spectroscopy are used to show how two plant materials (wood and grass) undergo analogous, but quantitatively different physical-chemical transitions as charring temperature increases frommore » 100 to 700 C. These changes suggest the existence of four distinct categories of char consisting of a unique mixture of chemical phases and physical states: (i) in transition chars the crystalline character of the precursor materials is preserved, (ii) in amorphous chars the heat-altered molecules and incipient aromatic polycondensates are randomly mixed, (iii) composite chars consist of poorly ordered graphene stacks embedded in amorphous phases, and (iv) turbostratic chars are dominated by disordered graphitic crystallites. The molecular variations among the different char categories translate into differences in their ability to persist in the environment and function as environmental sorbents.« less

Monitoring bacterial biofilms with a microfluidic flow chip designed for imaging with white-light interferometry

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

Brann, Michelle; Suter, Jonathan D.; Addleman, R. Shane

There is a need for imaging and sensing instrumentation that can monitor transitions in biofilm structure in order to better understand biofilm development and emergent properties such as anti-microbial resistance. Herein, we expanded on our previously reported technique for measuring and monitoring the thickness and topology of live biofilms using white-light interferometry (WLI). A flow cell designed for WLI enabled the use of this non-disruptive imaging method for the capture of high resolution three-dimensional profile images of biofilm growth over time. The fine axial resolution (3 nm) and wide field of view (>1 mm by 1 mm) enabled detection ofmore » biofilm formation as early as three hours after inoculation of the flow cell with a live bacterial culture (Pseudomonas fluorescens). WLI imaging facilitated monitoring the early stages of biofilm development and subtle variations in the structure of mature biofilms. Minimally-invasive imaging enabled monitoring of biofilm structure with surface metrology metrics (e.g., surface roughness). The system was used to observe a transition in biofilm structure that occurred in response to expsoure to a common antiseptic. In the future, WLI and the biofilm imaging cell described herein may be used to test the effectiveness of biofilm-specific therapies to combat common diseases associated with biofilm formation such as cystic fibrosis and periodontitis.« less

[The role of temporal fine structure in tone recognition and music perception].

PubMed

Zhou, Q; Gu, X; Liu, B

2017-11-07

The sound signal can be decomposed into temporal envelope and temporal fine structure information. The temporal envelope information is crucial for speech perception in quiet environment, and the temporal fine structure information plays an important role in speech perception in noise, Mandarin tone recognition and music perception, especially the pitch and melody perception.

Willis Lamb, Jr., the Hydrogen Atom, and the Lamb Shift

Science.gov Websites

1955, Lamb won the Nobel Prize in Physics for his discoveries concerning "the fine structure of , May 7 - September 30, 1979 Fine Structure of the Hydrogen Atom, Part I; Part II; Part III; Part IV ; Part V; Part VI (from Physical Review 1950-1953) Microwave Technique for Determining the Fine Structure

Collision strengths for FIR and UV transtions in P III and the phosphorus abundance

NASA Astrophysics Data System (ADS)

Naghma, Rahla; Nahar, Sultana N.; Pradhan, Anil K.

2018-06-01

Phosphorus abundance is crucial for DNA-based extraterrestrial life in exoplanets. Atomic data for observed spectral lines of P-ions are needed for its accurate determination. We present the first calculations for collision strengths for the forbidden [P III] fine structure transition 3s^23p (^2P^o_{1/2-3/2}) within the ground state at 17.9 μm , as well as allowed UV transitions in the 3s^23p (^2P^o_{1/2,3/2}) \\rArr 3s3p^2 (^2D_{3/2,5/2}, ^2S_{1/2}, ^2P_{1/2,3/2}) multiplets between 915-1345 Å. Collision strengths are computed using the Breit-Pauli R-Matrix method including the first 18 levels, and they exhibit extensive auto-ionizing resonance structures. In particular, the Maxwellian averaged effective collision strength for the FIR 17.9 μm transition shows a factor 3 temperature variation broadly peaking at typical nebular temperatures. Its theoretical emissivity with solar phosphorus abundance is computed relative to Hβ and found to be similar to observed intensties from planetary nebulae; the abundances derived in earlier works are 3-5 times sub-solar. The results pertain to the reported paucity of phosphorus from preferred production sites in supernovae, and abundances in planetary nebulae and supernova remnants.

Laboratory detection of the rotational-tunnelling spectrum of the hydroxymethyl radical, CH2OH

NASA Astrophysics Data System (ADS)

Bermudez, C.; Bailleux, S.; Cernicharo, J.

2017-02-01

Context. Of the two structural isomers of CH3O, methoxy is the only radical whose astronomical detection has been reported through the observation of several rotational lines at 2 and 3 mm wavelengths. Although the hydroxymethyl radical, CH2OH, is known to be thermodynamically the most stable (by 3300 cm-1), it has so far eluded rotational spectroscopy presumably because of its high chemical reactivity. Aims: Recent high-resolution ( 10 MHz) sub-Doppler rovibrationally resolved infrared spectra of CH2OH (symmetric CH stretching a-type band) provided accurate ground vibrational state rotational constants, thus reviving the quest for its millimeter-wave spectrum in laboratory and subsequently in space. Methods: The search and assignment of the rotational spectrum of this fundamental species were guided by our quantum chemical calculations and by using rotational constants derived from high-resolution IR data. The hydroxymethyl radical was produced by hydrogen abstraction from methanol by atomic chlorine. Results: Ninety-six b-type rotational transitions between the v = 0 and v = 1 tunnelling sublevels involving 25 fine-structure components of Q branches (with Ka = 1 ← 0) and 4 fine-structure components of R branches (assigned to Ka = 0 ← 1) were measured below 402 GHz. Hyperfine structure alternations due to the two identical methylenic hydrogens were observed and analysed based on the symmetry and parity of the rotational levels. A global fit including infrared and millimeter-wave lines has been conducted using Pickett's reduced axis system Hamiltonian. The recorded transitions (odd ΔKa) did not allow us to evaluate the Coriolis tunnelling interaction term. The comparison of the experimentally determined constants for both tunnelling levels with their computed values secures the long-awaited first detection of the rotational-tunnelling spectrum of this radical. In particular, a tunnelling rate of 139.73 ± 0.10 MHz (4.6609(32) × 10-3 cm-1) was obtained along with the rotational constants, electron spin-rotation interaction parameters and several hyperfine coupling terms. Conclusions: The laboratory characterization of CH2OH by millimeter-wave spectroscopy now offers the possibility for its astronomical detection for the first time.

Anomalous permittivity in fine-grain barium titanate

NASA Astrophysics Data System (ADS)

Ostrander, Steven Paul

Fine-grain barium titanate capacitors exhibit anomalously large permittivity. It is often observed that these materials will double or quadruple the room temperature permittivity of a coarse-grain counterpart. However, aside from a general consensus on this permittivity enhancement, the properties of the fine-grain material are poorly understood. This thesis examines the effect of grain size on dielectric properties of a self-consistent set of high density undoped barium titanate capacitors. This set included samples with grain sizes ranging from submicron to ˜20 microns, and with densities generally above 95% of the theoretical. A single batch of well characterized powder was milled, dry-pressed then isostatically-pressed. Compacts were fast-fired, but sintering temperature alone was used to control the grain size. With this approach, the extrinsic influences are minimized within the set of samples, but more importantly, they are normalized between samples. That is, with a single batch of powder and with identical green processing, uniform impurity concentration is expected. The fine-grain capacitors exhibited a room temperature permittivity of ˜5500 and dielectric losses of ˜2%. The Curie-temperature decreased by {˜}5sp°C from that of the coarse-grain material, and the two ferroelectric-ferroelectric phase transition temperatures increased by {˜}10sp°C. The grain size induced permittivity enhancement was only active in the tetragonal and orthorhombic phases. Strong dielectric anomalies were observed in samples with grain size as small as {˜}0.4\\ mum. It is suggested that the strong first-order character observed in the present data is related to control of microstructure and stoichiometry. Grain size effects on conductivity losses, ferroelectric losses, ferroelectric dispersion, Maxwell-Wagner dispersion, and dielectric aging of permittivity and loss were observed. For the fine-grain material, these observations suggest the suppression of domain wall motion below the Curie transition, and the suppression of conductivity above the Curie transition.

Growth of Nanoscale Nickel Ferrite on Carbonaceous Matrix- A Novel Method of Turning Harmful Particulates into a Functional Nanocomposite: An XAFS Study

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

Pattanaik, S.; Huggins, F; Huffman, G

2010-01-01

Particulate matter (PM) emission from residual oil combustion typically consists of carbonaceous material accompanied by inorganic matter notably transition metal sulfates. Often a minor sulfide form is found in the coarse fraction while an oxide form is more common in the fine and ultrafine fractions. A composite comprising of nanoscale nickel ferrite dispersed on carbonaceous matrix has been obtained following liberation of metal sulfates from the fine PM - a novel method of turning harmful particulates into a functional nanocomposite without the need for elaborate preparation using expensive precursors. The nickel ferrite content in the composite varies with the Fe/Nimore » ratio in particulate, fuel type, and combustion condition. Such variation may lead to the composite exhibiting diverse physical behaviors. Detailed structure and cation distribution in dispersed ferrite have been studied using Fe and Ni K-edges XAFS spectroscopy. Peaks are identified in the radial structure function with specific atom pair correlations within the spinel ferrite from which the relative occupancy of the cations in the octahedral and tetrahedral sites can be discerned. The results show that Ni(II) has strong preference for the octahedral site, while Fe(III) prefers both sites which is consistent with that of an inverted spinel ferrite.« less

Growth of nanoscale nickel ferrite on carbonaceous matrix--A novel method of turning harmful particulates into a functional nanocomposite: An XAFS study.

PubMed

Pattanaik, Sidhartha; Huggins, Frank E; Huffman, Gerald P

2010-06-15

Particulate matter (PM) emission from residual oil combustion typically consists of carbonaceous material accompanied by inorganic matter notably transition metal sulfates. Often a minor sulfide form is found in the coarse fraction while an oxide form is more common in the fine and ultrafine fractions. A composite comprising of nanoscale nickel ferrite dispersed on carbonaceous matrix has been obtained following liberation of metal sulfates from the fine PM--a novel method of turning harmful particulates into a functional nanocomposite without the need for elaborate preparation using expensive precursors. The nickel ferrite content in the composite varies with the Fe/Ni ratio in particulate, fuel type, and combustion condition. Such variation may lead to the composite exhibiting diverse physical behaviors. Detailed structure and cation distribution in dispersed ferrite have been studied using Fe and Ni K-edges XAFS spectroscopy. Peaks are identified in the radial structure function with specific atom pair correlations within the spinel ferrite from which the relative occupancy of the cations in the octahedral and tetrahedral sites can be discerned. The results show that Ni(II) has strong preference for the octahedral site, while Fe(III) prefers both sites which is consistent with that of an inverted spinel ferrite. Copyright 2010 Elsevier B.V. All rights reserved.

New Measurement of the Electron Magnetic Moment and the Fine Structure Constant: A First Application of a One-Electron Quantum Cyclotron

ScienceCinema

Gabrielse, Gerald

2018-05-22

Remarkably, the famous UW measurement of the electron magnetic moment has stood since 1987. With QED theory, this measurement has determined the accepted value of the fine structure constant. This colloquium is about a new Harvard measurement of these fundamental constants. The new measurement has an uncertainty that is about six times smaller, and it shifts the values by 1.7 standard deviations. One electron suspended in a Penning trap is used for the new measurement, like in the old measurement. What is different is that the lowest quantum levels of the spin and cyclotron motion are resolved, and the cyclotron as well as spin frequencies are determined using quantum jump spectroscopy. In addition, a 0.1 mK Penning trap that is also a cylindrical microwave cavity is used to control the radiation field, to suppress spontaneous emission by more than a factor of 100, to control cavity shifts, and to eliminate the blackbody photons that otherwise stimulate excitations from the cyclotron ground state. Finally, great signal-to-noise for one-quantum transitions is obtained using electronic feedback to realize the first one-particle self-excited oscillator. The new methods may also allow a million times improved measurement of the 500 times small antiproton magnetic moment.

Complex Ancient Genetic Structure and Cultural Transitions in Southern African Populations.

PubMed

Montinaro, Francesco; Busby, George B J; Gonzalez-Santos, Miguel; Oosthuitzen, Ockie; Oosthuitzen, Erika; Anagnostou, Paolo; Destro-Bisol, Giovanni; Pascali, Vincenzo L; Capelli, Cristian

2017-01-01

The characterization of the structure of southern African populations has been the subject of numerous genetic, medical, linguistic, archaeological, and anthropological investigations. Current diversity in the subcontinent is the result of complex events of genetic admixture and cultural contact between early inhabitants and migrants that arrived in the region over the last 2000 years. Here, we analyze 1856 individuals from 91 populations, comprising novel and published genotype data, to characterize the genetic ancestry profiles of 631 individuals from 51 southern African populations. Combining both local ancestry and allele frequency based analyses, we identify a tripartite, ancient, Khoesan-related genetic structure. This structure correlates neither with linguistic affiliation nor subsistence strategy, but with geography, revealing the importance of isolation-by-distance dynamics in the area. Fine-mapping of these components in southern African populations reveals admixture and cultural reversion involving several Khoesan groups, and highlights that Bantu speakers and Coloured individuals have different mixtures of these ancient ancestries. Copyright © 2017 Montinaro et al.

Statistical Fine Structure in the Inhomogeneously Broadened Electronic Origin of Pentacene in p-Terphenyl.

DTIC Science & Technology

1988-01-29

Electronic Origin of Pentacene in p-Terphenyl by T. P. Carter, M. Manavi, and W. E. Moerner Prepared for Publication inDTIC Journal of Chemical Physics...Classification) Statistical Fine Structure in the Inhomogeneously Broadened Electronic Origin of Pentacene in p-Terphenyl 12. PERSONAL AUTHOR(S) T. P...of pentacene in p-terphenyl using laser FM spectroscopy. Statistical fine structure is time-independent structure on the inhomogeneous line caused by

Statistical Fine Structure of Inhomogeneously Broadened Absorption Lines.

DTIC Science & Technology

1987-07-31

inhomogeneously broadened optical absorption of pentacene n p-terphenyl at liquid helium temperatures... SFS is the actual frequency- ependent, time...statistical fine structure (SFS) in the inhomogeneously broadened optical absorption of pentacene in p-terphenyl at liquid helium temperatures. SFS is the...quite difficult . -2- We have observed for the first time statistical fine structure in the inhomogeneously broadened optical absorption of pentacene

Antiferromagnetic inclusions in lunar glass

USGS Publications Warehouse

Thorpe, A.N.; Senftle, F.E.; Briggs, Charles; Alexander, Corrine

1974-01-01

The magnetic susceptibility of 11 glass spherules from the Apollo 15, 16, and 17 fines and two specimens of a relatively large glass spherical shell were studied as a function of temperature from room temperature to liquid helium temperatures. All but one specimen showed the presence of antiferromagnetic inclusions. Closely spaced temperature measurements of the magnetic susceptibility below 77 K on five of the specimens showed antiferromagnetic temperature transitions (Ne??el transitions). With the exception of ilmenite in one specimen, these transitions did not correspond to any transitions in known antiferromagnetic compounds. ?? 1974.

Electron impact excitation of NeIII intercombination lines

NASA Astrophysics Data System (ADS)

Daw, Adrian; McLaughlin, Brendan M.; Bell, Kenneth L.

2000-06-01

Observations on the spectra of doubly ionized neon (NeIII) have been recently recorded below 25O Å(A. E. Livington, R. Buttner, A. S. Zacarias, B. Kraus, K-H Schartner, F. Folkmann and P. H. Mokler, J. Opt. Soc. Am. B 14) 522-525 (1997).. This work together with previous studies give line intensies which may be used as density diagnostics but required accurate collision strengths and transition probabilities for their interpretation. Recent studies on electron collisions with NeIII ions using the R-matrix approach (B. M. McLaughlin and K. L. Bell, J. Phys. B. 33), 597 (2000). for Δ n=0 transitions, illustrated the importance of including n=3 and 4 levels in the calculations compared to previous work. (K. Butler and C. Mendoza, Mon. Not. R. Astr. Soc. 208), 17 (1984). Particular emphasis is now placed on transitions to the intercombination 2s^22p^3[^4S^o]3s ^3,5S^o levels and to the other n=3 levels where comparison can be made with previous distorted-wave work. The calculations of fine-structure transitions by electron impact, to and within these multiplets of NeIII provide much needed accurate data for astrophysical models. Further details and a comprehensive set of results will be presented at the meeting.

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

Abou El-Maaref, A., E-mail: aahmh@hotmail.com; Allam, S.H.; El-Sherbini, Th.M.

The energy levels, oscillator strengths, line strengths, and transition probabilities for transitions among the terms belonging to the 3s{sup 2}3p{sup 2}, 3s3p{sup 3}, 3s{sup 2}3p3d, 3s{sup 2}3p4s, 3s{sup 2}3p4p and 3s{sup 2}3p4d configurations of silicon-like ions (Zn XVII, Ga XVIII, Ge XIX, and As XX) have been calculated using the configuration-interaction code CIV3. The calculations have been carried out in the intermediate coupling scheme using the Breit–Pauli Hamiltonian. The present calculations have been compared with the available experimental data and other theoretical calculations. Most of our calculations of energy levels and oscillator strengths (in length form) show good agreement withmore » both experimental and theoretical data. Lifetimes of the excited levels have also been calculated. -- Highlights: •We have calculated the fine-structure energy levels of Si-like Zn, Ga, Ge and As. •The calculations are performed using the configuration interaction method (CIV3). •We have calculated the oscillator strengths, line strengths and transition rates. •The wavelengths of the transitions are listed in this article. •We also have made comparisons between our data and other calculations.« less

Multi-configuration Dirac-Hartree-Fock (MCDHF) calculations for Ni XXV

NASA Astrophysics Data System (ADS)

Singh, Narendra; Aggarwal, Sunny

2018-03-01

We present accurate 165 fine-structure energy levels related to the configurations 1s22s2, 1s22p2, 1s2nƖn‧l‧ (n = 2, n‧ = 2, 3, 4, 5, Ɩ = s,p Ɩ‧ = s, p, d, f, g) of Ni XXV which may be useful ion for astrophysical and fusion plasma. For the calculations of energy levels and radiative rates, we have used the multiconfiguration Dirac-Hartree-Fock (MCDHF) method employed in GRASP2K code. The calculations are carried out in the active space approximation with the inclusion of the Breit interaction, the finite nuclear size effect, and quantum electrodynamic corrections. The transition wavelengths, transition probabilities, line strengths, and absorption oscillator strengths are reported for electric dipole (E1), electric quadrupole (E2), magnetic dipole (M1), magnetic quadrupole (M2) transitions from the ground state. We have compared our calculated results with available theoretical and experimental data and good agreement is achieved. We predict new energy levels, oscillator strengths, line strengths and transition probabilities, where no other experimental or theoretical results are available. The present complete set of results should be of great help in line identification and the interpretation of spectra, as well as in the modelling and diagnostics of astrophysical and fusion plasmas.

The time dependent magnetization of fine-grained iron in lunar breccias

NASA Technical Reports Server (NTRS)

Gose, W. A.; Carnes, J. G.

1973-01-01

Lunar breccias of low metamorphic grade offer a unique opportunity to investigate the magnetic properties of dispersed fine-grained iron. These rocks exhibit a pronounced time-dependent magnetization whose acquisition and decay are well explained by Neel's single-domain theory. The effect is due to iron grains in the range from 120 to 150 A in diameter, which covers the transition from superparamagnetic to stable single-domain behavior.

Atomic structure calculations and identification of EUV and SXR spectral lines in Sr XXX

NASA Astrophysics Data System (ADS)

Goyal, Arun; Khatri, Indu; Aggarwal, Sunny; Singh, A. K.; Mohan, Man

2015-08-01

We report an extensive theoretical study of atomic data for Sr XXX in a wide range with L-shell electron excitations to the M-shell. We have calculated energy levels, wave-function compositions and lifetimes for lowest 113 fine structure levels and wavelengths of an extreme Ultraviolet (EUV) and soft X-ray (SXR) transitions. We have employed multi-configuration Dirac Fock method (MCDF) approach within the framework of Dirac-Coulomb Hamiltonian including quantum electrodynamics (QED) and Breit corrections. We have also presented the radiative data for electric and magnetic dipole (E1, M1) and quadrupole (E2, M2) transitions from the ground state. We have made comparisons with available energy levels compiled by NIST and achieve good agreement. But due to inadequate data in the literature, analogous relativistic distorted wave calculations have also been performed using flexible atomic code (FAC) to assess the reliability and accuracy of our results. Additionally, we have provided new atomic data for Sr XXX which is not published elsewhere in the literature and we believe that our results may be beneficial in fusion plasma research and astrophysical investigations and applications.

Symmetry Breaking in Photonic Crystals: On-Demand Dispersion from Flatband to Dirac Cones

NASA Astrophysics Data System (ADS)

Nguyen, H. S.; Dubois, F.; Deschamps, T.; Cueff, S.; Pardon, A.; Leclercq, J.-L.; Seassal, C.; Letartre, X.; Viktorovitch, P.

2018-02-01

We demonstrate that symmetry breaking opens a new degree of freedom to tailor energy-momentum dispersion in photonic crystals. Using a general theoretical framework in two illustrative practical structures, we show that breaking symmetry enables an on-demand tuning of the local density of states of the same photonic band from zero (Dirac cone dispersion) to infinity (flatband dispersion), as well as any constant density over an adjustable spectral range. As a proof of concept, we demonstrate experimentally the transformation of the very same photonic band from a conventional quadratic shape to a Dirac dispersion, a flatband dispersion, and a multivalley one. This transition is achieved by finely tuning the vertical symmetry breaking of the photonic structures. Our results provide an unprecedented degree of freedom for optical dispersion engineering in planar integrated photonic devices.

The microwave spectrum of a triplet carbene: HCCN in the X 3Sigma - state

NASA Astrophysics Data System (ADS)

Saito, Shuji; Endo, Yasuki; Hirota, Eizi

1984-02-01

A simple carbene, the HCCN radical, has been identified in the gas phase using a microwave spectroscopic method. The HCCN molecule was generated in a free space absorption cell by the reaction of CH3CN with the microwave discharge products of CF4. Five rotational transitions, each split into three fine structure components, were observed in the region of 110 to 198 GHz. No hyperfine structure was resolved, although some of the observed lines showed broadening. The rotational constant, the centrifugal distortion constant, the spin-spin coupling constant, and the spin-rotation coupling constant were determined with good precision. The observed spectrum is completely consistent with that expected for a linear molecule in a 3Σ state, in agreement with an earlier matrix EPR study of Bernheim et al. [J. Chem. Phys. 43, 196 (1965)].

Symmetry Breaking in Photonic Crystals: On-Demand Dispersion from Flatband to Dirac Cones.

PubMed

Nguyen, H S; Dubois, F; Deschamps, T; Cueff, S; Pardon, A; Leclercq, J-L; Seassal, C; Letartre, X; Viktorovitch, P

2018-02-09

We demonstrate that symmetry breaking opens a new degree of freedom to tailor energy-momentum dispersion in photonic crystals. Using a general theoretical framework in two illustrative practical structures, we show that breaking symmetry enables an on-demand tuning of the local density of states of the same photonic band from zero (Dirac cone dispersion) to infinity (flatband dispersion), as well as any constant density over an adjustable spectral range. As a proof of concept, we demonstrate experimentally the transformation of the very same photonic band from a conventional quadratic shape to a Dirac dispersion, a flatband dispersion, and a multivalley one. This transition is achieved by finely tuning the vertical symmetry breaking of the photonic structures. Our results provide an unprecedented degree of freedom for optical dispersion engineering in planar integrated photonic devices.

Rare earth crystal field spectra as a probe of librational motions in BaY2F8 solid state laser crystals

NASA Astrophysics Data System (ADS)

Capelletti, R.; Baraldi, A.; Buffagni, E.; Magnani, N.; Mazzera, M.

2010-11-01

The fine structure (FS) accompanying a few lines, originated by crystal field (CF) transitions of rare earths (RE), as Er3+ and Tm3+, in BaY2F8 single crystals, is analyzed as a function of the RE3+ concentration (0.5÷20 at%) and temperature (9-300 K), by using high resolution (as fine as 0.02 cm-1) Fourier transform spectroscopy and linear dichroism measurements. The 9 K absorption spectra show that FS includes weak, narrow, and closely spaced (0.4÷0.8 cm-1) lines, covering a few cm-1 range on both sides of the narrowest among the CF lines. The FS increases by increasing the RE3+ concentration and vanishes at rather low temperature (40 and 60 K for Er3+ and Tm3+, respectively). The polarized light spectra confirm the association of a given set of FS lines to a specific CF line. The FS is ascribed to the simultaneous excitation of an electronic CF transition and of a local librational (or hindered rotation) mode of the RE3+-F- group. The attribution is supported 1) by specific features of the host matrix and guest rare earths, which allow some mobility of F- ions, and 2) by the spacing of the FS lines, which is in excellent agreement with the calculated RE3+-F- group rotational constant.

Interactions of multi-scale heterogeneity in the lithosphere: Australia

NASA Astrophysics Data System (ADS)

Kennett, B. L. N.; Yoshizawa, K.; Furumura, T.

2017-10-01

Understanding the complex heterogeneity of the continental lithosphere involves a wide variety of spatial scales and the synthesis of multiple classes of information. Seismic surface waves and multiply reflected body waves provide the main constraints on broad-scale structure, and bounds on the extent of the lithosphere-asthenosphere transition (LAT) can be found from the vertical gradients of S wavespeed. Information on finer-scale structures comes through body wave studies, including detailed seismic tomography and P-wave reflectivity extracted from stacked autocorrelograms of continuous component records. With the inclusion of deterministic large-scale structure and realistic medium-scale stochastic features fine-scale variations are subdued. The resulting multi-scale heterogeneity model for the Australian region gives a good representation of the character of observed seismograms and their geographic variations and matches the observations of P-wave reflectivity. P reflections in the 0.5-3.0 Hz band in the uppermost mantle suggest variations on vertical scales of a few hundred metres with amplitudes of the order of 1%. Interference of waves reflected or converted at sequences of such modest variations in physical properties produce relatively simple behaviour for lower frequencies, which can suggest simpler structures than are actually present. Vertical changes in the character of fine-scale heterogeneity can produce apparent discontinuities. In Central Australia a 'mid-lithospheric discontinuity' can be tracked via changes in frequency content of station reflectivity, with links to the broad-scale pattern of wavespeed gradients and, in particular, the gradients of radial anisotropy. Comparisons with xenolith results from southeastern Australia indicate a strong tie between geochemical stratification and P-wave reflectivity.

Determination of the fine structure constant using helium fine structure.

PubMed

Smiciklas, Marc; Shiner, David

2010-09-17

We measure 31,908,131.25(30) kHz for the 2(3)}P J=0 to 2 fine structure interval in helium. The difference between this and theory to order mα7 (20 Hz numerical uncertainty) implies 0.22(30) kHz for uncalculated terms. The measurement is performed by using atomic beam and electro-optic laser techniques. Various checks include a 3He 2{3}S hyperfine measurement. We can obtain an independent value for the fine structure constant α with a 5 ppb experimental uncertainty. However, dominant mα8 terms (potentially 1.2 kHz) limit the overall uncertainty to a less competitive 20 ppb in α.

g-Factor of heavy ions: a new access to the fine structure constant.

PubMed

Shabaev, V M; Glazov, D A; Oreshkina, N S; Volotka, A V; Plunien, G; Kluge, H-J; Quint, W

2006-06-30

A possibility for a determination of the fine structure constant in experiments on the bound-electron g-factor is examined. It is found that studying a specific difference of the g-factors of B- and H-like ions of the same spinless isotope in the Pb region to the currently accessible experimental accuracy of 7 x 10(-10) would lead to a determination of the fine structure constant to an accuracy which is better than that of the currently accepted value. Further improvements of the experimental and theoretical accuracy could provide a value of the fine structure constant which is several times more precise than the currently accepted one.

XAFS SPECTROSCOPY ANALYSIS OF SELECTED HAP ELEMENTS IN FINE PM DERIVED FROM COAL COMBUSTION

EPA Science Inventory

X-ray absorption fine structure (XAFS) spectroscopy has been used to investigate the valence states and molecular structures of sulfur (S), chromium (Cr), arsenic (As), and zinc (Zn) in fine particulate matter (PM) separated from coal flyash produced in a realistic combustion sys...

Ultrafast exciton fine structure relaxation dynamics in lead chalcogenide nanocrystals.

PubMed

Johnson, Justin C; Gerth, Kathrine A; Song, Qing; Murphy, James E; Nozik, Arthur J; Scholes, Gregory D

2008-05-01

The rates of fine structure relaxation in PbS, PbSe, and PbTe nanocrystals were measured on a femtosecond time scale as a function of temperature with no applied magnetic field by cross-polarized transient grating spectroscopy (CPTG) and circularly polarized pump-probe spectroscopy. The relaxation rates among exciton fine structure states follow trends with nanocrystal composition and size that are consistent with the expected influence of material dependent spin-orbit coupling, confinement enhanced electron-hole exchange interaction, and splitting between L valleys that are degenerate in the bulk. The size dependence of the fine structure relaxation rate is considerably different from what is observed for small CdSe nanocrystals, which appears to result from the unique material properties of the highly confined lead chalcogenide quantum dots. Modeling and qualitative considerations lead to conclusions about the fine structure of the lowest exciton absorption band, which has a potentially significant bearing on photophysical processes that make these materials attractive for practical purposes.

Polygamy and an absence of fine-scale structure in Dendroctonus ponderosae (Hopk.) (Coleoptera: Curcilionidae) confirmed using molecular markers

PubMed Central

Janes, J K; Roe, A D; Rice, A V; Gorrell, J C; Coltman, D W; Langor, D W; Sperling, F A H

2016-01-01

An understanding of mating systems and fine-scale spatial genetic structure is required to effectively manage forest pest species such as Dendroctonus ponderosae (mountain pine beetle). Here we used genome-wide single-nucleotide polymorphisms to assess the fine-scale genetic structure and mating system of D. ponderosae collected from a single stand in Alberta, Canada. Fine-scale spatial genetic structure was absent within the stand and the majority of genetic variation was best explained at the individual level. Relatedness estimates support previous reports of pre-emergence mating. Parentage assignment tests indicate that a polygamous mating system better explains the relationships among individuals within a gallery than the previously reported female monogamous/male polygynous system. Furthermore, there is some evidence to suggest that females may exploit the galleries of other females, at least under epidemic conditions. Our results suggest that current management models are likely to be effective across large geographic areas based on the absence of fine-scale genetic structure. PMID:26286666

High-temperature superconductivity from fine-tuning of Fermi-surface singularities in iron oxypnictides.

PubMed

Charnukha, A; Evtushinsky, D V; Matt, C E; Xu, N; Shi, M; Büchner, B; Zhigadlo, N D; Batlogg, B; Borisenko, S V

2015-12-18

In the family of the iron-based superconductors, the REFeAsO-type compounds (with RE being a rare-earth metal) exhibit the highest bulk superconducting transition temperatures (Tc) up to 55 K and thus hold the key to the elusive pairing mechanism. Recently, it has been demonstrated that the intrinsic electronic structure of SmFe0.92Co0.08AsO (Tc = 18 K) is highly nontrivial and consists of multiple band-edge singularities in close proximity to the Fermi level. However, it remains unclear whether these singularities are generic to the REFeAsO-type materials and if so, whether their exact topology is responsible for the aforementioned record Tc. In this work, we use angle-resolved photoemission spectroscopy (ARPES) to investigate the inherent electronic structure of the NdFeAsO0.6F0.4 compound with a twice higher Tc = 38 K. We find a similarly singular Fermi surface and further demonstrate that the dramatic enhancement of superconductivity in this compound correlates closely with the fine-tuning of one of the band-edge singularities to within a fraction of the superconducting energy gap Δ below the Fermi level. Our results provide compelling evidence that the band-structure singularities near the Fermi level in the iron-based superconductors must be explicitly accounted for in any attempt to understand the mechanism of superconducting pairing in these materials.

Time evolution of fine structures in the solar chromosphere.

NASA Astrophysics Data System (ADS)

Tsiropoula, G.; Alissandrakis, C. E.; Schmieder, B.

1994-10-01

We have studied the temporal evolution of two quiet chromospheric regions, one with a typical rosette and another with chains of mottles at the junction of three supergranules. The observations were obtained during 15 minutes with the Multichannel Subtractive Double Pass spectrograph (MSDP) operating in Hα at the Pic du Midi Observatory. We derived intensity maps and Doppler shift velocities at different wavelengths along the Hα profile over a two dimensional field of view. The observed contrast profiles were matched with theoretical contrast profiles using Beckers' cloud model for a more accurate determination of the line of sight velocity. A statistical analysis with cross correlation functions showed that the fine structures were stable in intensity over the observation period (15 min), but the line of sight velocity showed important changes within a few minutes. A detailed analysis of the velocities along the axes of dark mottles showed that the predominant pattern of bulk motion is that of downflow at their footpoints and alternating phases of upflow and downflow at their tops. This motion is consistent with Pikel'ner's model for spicules, which attributes this pattern to the reconnection of opposite magnetic filed lines. This picture is also consistent with the velocity reversals with time observed in spicules and may be associated to the systematic downflows observed in the transition region. Doppler shift velocities in dark mottles are too low compared to those derived with the cloud model; the latter are comparable to those reported for spicules, strengthening the view that these structures are identical.

High-temperature superconductivity from fine-tuning of Fermi-surface singularities in iron oxypnictides

NASA Astrophysics Data System (ADS)

Charnukha, A.; Evtushinsky, D. V.; Matt, C. E.; Xu, N.; Shi, M.; Büchner, B.; Zhigadlo, N. D.; Batlogg, B.; Borisenko, S. V.

2015-12-01

In the family of the iron-based superconductors, the REFeAsO-type compounds (with RE being a rare-earth metal) exhibit the highest bulk superconducting transition temperatures (Tc) up to 55 K and thus hold the key to the elusive pairing mechanism. Recently, it has been demonstrated that the intrinsic electronic structure of SmFe0.92Co0.08AsO (Tc = 18 K) is highly nontrivial and consists of multiple band-edge singularities in close proximity to the Fermi level. However, it remains unclear whether these singularities are generic to the REFeAsO-type materials and if so, whether their exact topology is responsible for the aforementioned record Tc. In this work, we use angle-resolved photoemission spectroscopy (ARPES) to investigate the inherent electronic structure of the NdFeAsO0.6F0.4 compound with a twice higher Tc = 38 K. We find a similarly singular Fermi surface and further demonstrate that the dramatic enhancement of superconductivity in this compound correlates closely with the fine-tuning of one of the band-edge singularities to within a fraction of the superconducting energy gap Δ below the Fermi level. Our results provide compelling evidence that the band-structure singularities near the Fermi level in the iron-based superconductors must be explicitly accounted for in any attempt to understand the mechanism of superconducting pairing in these materials.

Connecting traces of galaxy evolution: the missing core mass-morphological fine structure relation

NASA Astrophysics Data System (ADS)

Bonfini, P.; Bitsakis, T.; Zezas, A.; Duc, P.-A.; Iodice, E.; González-Martín, O.; Bruzual, G.; González Sanoja, A. J.

2018-01-01

Deep exposure imaging of early-type galaxies (ETGs) are revealing the second-order complexity of these objects, which have been long considered uniform, dispersion-supported spheroidals. `Fine structure' features (e.g. ripples, plumes, tidal tails, rings) as well as depleted stellar cores (i.e. central light deficits) characterize a number of massive ETG galaxies, and can be interpreted as the result of galaxy-galaxy interactions. We discuss how the time-scale for the evolution of cores and fine structures are comparable, and hence it is expected that they develop in parallel after the major interaction event which shaped the ETG. Using archival data, we compare the `depleted stellar mass' (i.e. the mass missing from the depleted stellar core) against the prominence of the fine structure features, and observe that they correlate inversely. This result confirms our expectation that, while the supermassive black hole (SMBH) binary (constituted by the SMBHs of the merger progenitors) excavates the core via three-body interactions, the gravitational potential of the newborn galaxy relaxes, and the fine structures fade below detection levels. We expect the inverse correlation to hold at least within the first Gyr from the merger which created the SMBH binary; after then, the fine structure evolves independently.

Nanoclusters of α-Fe naturally formed in twinned martensite after martensitic transformation

NASA Astrophysics Data System (ADS)

Liu, X.; Ping, D. H.; Xiang, H. P.; Lu, X.; Shen, J.

2018-05-01

Various Fe-C binary alloys with the carbon content from 0.05 to 2.0 (wt. %) have been prepared and water-quenched at austenitizing temperatures. The fine structure of the twinned martensite in the quenched samples has been investigated by means of transmission electron microscopy (TEM) in order to understand the initial products during the formation of the martensite structure. In the twinned structure (body-centered-cubic {112}⟨111⟩-type twin), TEM dark field observations have revealed that both matrix and twinned crystal regions are fully composed of ultra-fine particles (α-Fe nano-crystallites). The particles tend to have the same preferred direction (or texture) in the twinned martensite and the size is almost the same (1-2 nm). The ultra-fine particle structure has been commonly observed regardless of the carbon content; however, such a fine particle structure has been observed only in the martensite with the twinning structure. After in-situ TEM heating, recrystallization occurred and the fine particles merged into larger α-Fe grains; at the same time, the twinned relationship also disappeared.

Spin-orbit coupled potential energy surfaces and properties using effective relativistic coupling by asymptotic representation.

PubMed

Ndome, Hameth; Eisfeld, Wolfgang

2012-08-14

A new method has been reported recently [H. Ndome, R. Welsch, and W. Eisfeld, J. Chem. Phys. 136, 034103 (2012)] that allows the efficient generation of fully coupled potential energy surfaces (PESs) including derivative and spin-orbit (SO) coupling. The method is based on the diabatic asymptotic representation of the molecular fine structure states and an effective relativistic coupling operator and therefore is called effective relativistic coupling by asymptotic representation (ERCAR). The resulting diabatic spin-orbit coupling matrix is constant and the geometry dependence of the coupling between the eigenstates is accounted for by the diabatization. This approach allows to generate an analytical model for the fully coupled PESs without performing any ab initio SO calculations (except perhaps for the atoms) and thus is very efficient. In the present work, we study the performance of this new method for the example of hydrogen iodide as a well-established test case. Details of the diabatization and the accuracy of the results are investigated in comparison to reference ab initio calculations. The energies of the adiabatic fine structure states are reproduced in excellent agreement with reference ab initio data. It is shown that the accuracy of the ERCAR approach mainly depends on the quality of the underlying ab initio data. This is also the case for dissociation and vibrational level energies, which are influenced by the SO coupling. A method is presented how one-electron operators and the corresponding properties can be evaluated in the framework of the ERCAR approach. This allows the computation of dipole and transition moments of the fine structure states in good agreement with ab initio data. The new method is shown to be very promising for the construction of fully coupled PESs for more complex polyatomic systems to be used in quantum dynamics studies.

A study of flow in alluvial channels: the effect of large concentrations of fine sediment on the mechanics of flow in a small flume

USGS Publications Warehouse

Haushild, William Leland; Simons, Daryl Baldwin; Richadrson, Everett V.

1961-01-01

concentration with the dune bed form and was increased by as much as 550 percent for the transition, standing wave, and antidune forms of bed roughness. Resistance to flow was less (C/√ g increased by 45 percent) with fine sediment-laden flow than with clear-water flow for the dune, and transition bed forms; and was greater (C/√ g   reduced by 25 percent) for the standing waves and the antidunes. A narrow range of bentonite concentration for each form of bed roughness was established as a limit below which only minor changes in bed form, bed material transport, and resistance to flow occurred. The variation of the liquid properties, specific weight and viscosity, for water-bentonite dispersions were studied and their effect on the properties of the bed material particles measured. The fall velocity of the particles in a dispersion of 100, 000 parts per million fine sediment in water was reduced to about one-half their fall velocity in clear water.

Tunable Spin-orbit Coupling and Quantum Phase Transition in a Trapped Bose-Einstein Condensate

PubMed Central

Zhang, Yongping; Chen, Gang; Zhang, Chuanwei

2013-01-01

Spin-orbit coupling (SOC), the intrinsic interaction between a particle spin and its motion, is responsible for various important phenomena, ranging from atomic fine structure to topological condensed matter physics. The recent experimental breakthrough on the realization of SOC for ultra-cold atoms provides a completely new platform for exploring spin-orbit coupled superfluid physics. However, the SOC strength in the experiment is not tunable. In this report, we propose a scheme for tuning the SOC strength through a fast and coherent modulation of the laser intensities. We show that the many-body interaction between atoms, together with the tunable SOC, can drive a quantum phase transition (QPT) from spin-balanced to spin-polarized ground states in a harmonic trapped Bose-Einstein condensate (BEC), which resembles the long-sought Dicke QPT. We characterize the QPT using the periods of collective oscillations of the BEC, which show pronounced peaks and damping around the quantum critical point. PMID:23727689

Collisional perturbation of radio-frequency E1 transitions in an atomic beam of dysprosium

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

Cingoez, A.; Lapierre, Alain; Nguyen, A.-T.

2005-12-15

We have studied collisional perturbations of radio-frequency (rf) electric-dipole (E1) transitions between the nearly degenerate opposite-parity levels in atomic dysprosium (Dy) in the presence of 10 to 80 {mu}Torr of H{sub 2}, N{sub 2}, He, Ar, Ne, Kr, and Xe. Collisional broadening and shift of the resonance, as well as the attenuation of the signal amplitude are observed to be proportional to the foreign-gas density with the exception of H{sub 2} and Ne, for which no shifts were observed. Corresponding rates and cross sections are presented. In addition, rates and cross sections for O{sub 2} are extracted from measurements usingmore » air as foreign gas. The primary motivation for this study is the need for accurate determination of the shift rates, which are needed in a laboratory search for the temporal variation of the fine-structure constant [A. T. Nguyen, D. Budker, S. K. Lamoreaux, and J. R. Torgerson, Phys. Rev. A 69, 22105 (2004)].« less

Zero-phonon line and fine structure of the yellow luminescence band in GaN

NASA Astrophysics Data System (ADS)

Reshchikov, M. A.; McNamara, J. D.; Zhang, F.; Monavarian, M.; Usikov, A.; Helava, H.; Makarov, Yu.; Morkoç, H.

2016-07-01

The yellow luminescence band was studied in undoped and Si-doped GaN samples by steady-state and time-resolved photoluminescence. At low temperature (18 K), the zero-phonon line (ZPL) for the yellow band is observed at 2.57 eV and attributed to electron transitions from a shallow donor to a deep-level defect. At higher temperatures, the ZPL at 2.59 eV emerges, which is attributed to electron transitions from the conduction band to the same defect. In addition to the ZPL, a set of phonon replicas is observed, which is caused by the emission of phonons with energies of 39.5 meV and 91.5 meV. The defect is called the YL1 center. The possible identity of the YL1 center is discussed. The results indicate that the same defect is responsible for the strong YL1 band in undoped and Si-doped GaN samples.

MCDF calculations of Auger cascade processes

NASA Astrophysics Data System (ADS)

Beerwerth, Randolf; Fritzsche, Stephan

2017-10-01

We model the multiple ionization of near-neutral core-excited atoms where a cascade of Auger processes leads to the emission of several electrons. We utilize the multiconfiguration Dirac-Fock (MCDF) method to generate approximate wave functions for all fine-structure levels and to account for all decays between them. This approach allows to compute electron spectra, the population of final-states and ion yields, that are accessible in many experiments. Furthermore, our approach is based on the configuration interaction method. A careful treatment of correlation between electronic configurations enables one to model three-electron processes such as an Auger decay that is accompanied by an additional shake-up transition. Here, this model is applied to the triple ionization of atomic cadmium, where we show that the decay of inner-shell 4p holes to triply-charged final states is purely due to the shake-up transition of valence 5s electrons. Contribution to the Topical Issue "Atomic and Molecular Data and their Applications", edited by Gordon W.F. Drake, Jung-Sik Yoon, Daiji Kato, Grzegorz Karwasz.

Trion fine structure and coupled spin–valley dynamics in monolayer tungsten disulfide

PubMed Central

Plechinger, Gerd; Nagler, Philipp; Arora, Ashish; Schmidt, Robert; Chernikov, Alexey; del Águila, Andrés Granados; Christianen, Peter C.M.; Bratschitsch, Rudolf; Schüller, Christian; Korn, Tobias

2016-01-01

Monolayer transition-metal dichalcogenides have recently emerged as possible candidates for valleytronic applications, as the spin and valley pseudospin are directly coupled and stabilized by a large spin splitting. The optical properties of these two-dimensional crystals are dominated by tightly bound electron–hole pairs (excitons) and more complex quasiparticles such as charged excitons (trions). Here we investigate monolayer WS2 samples via photoluminescence and time-resolved Kerr rotation. In photoluminescence and in energy-dependent Kerr rotation measurements, we are able to resolve two different trion states, which we interpret as intravalley and intervalley trions. Using time-resolved Kerr rotation, we observe a rapid initial valley polarization decay for the A exciton and the trion states. Subsequently, we observe a crossover towards exciton–exciton interaction-related dynamics, consistent with the formation and decay of optically dark A excitons. By contrast, resonant excitation of the B exciton transition leads to a very slow decay of the Kerr signal. PMID:27586517

Reduction reactions and densification during in situ TEM heating of iron oxide nanochains

NASA Astrophysics Data System (ADS)

Bonifacio, Cecile S.; Das, Gautom; Kennedy, Ian M.; van Benthem, Klaus

2017-12-01

The reduction reactions and densification of nanochains assembled from γ-Fe2O3 nanoparticles were investigated using in situ transmission electron microscopy (TEM). Morphological changes and reduction of the metal oxide nanochains were observed during in situ TEM annealing through simultaneous imaging and quantitative analysis of the near-edge fine structures of Fe L2,3 absorption edges acquired by spatially resolved electron energy loss spectroscopy. A change in the oxidation states during annealing of the iron oxide nanochains was observed with phase transformations due to continuous reduction from Fe2O3 over Fe3O4, FeO to metallic Fe. Phase transitions during the in situ heating experiments were accompanied with morphological changes in the nanochains, specifically rough-to-smooth surface transitions below 500 °C, neck formation between adjacent particles around 500 °C, and subsequent neck growth. At higher temperatures, coalescence of FeO particles was observed, representing densification.

Thermo-Active Behavior of Ethylene-Vinyl Acetate | Multiwall Carbon Nanotube Composites Examined by in Situ near-Edge X-ray Absorption Fine-Structure Spectroscopy

PubMed Central

2015-01-01

NEXAFS spectroscopy was used to investigate the temperature dependence of thermally active ethylene-vinyl acetate | multiwall carbon nanotube (EVA|MWCNT) films. The data shows systematic variations of intensities with increasing temperature. Molecular orbital assignment of interplaying intensities identified the 1s → π*C=C and 1s → π*C=O transitions as the main actors during temperature variation. Furthermore, enhanced near-edge interplay was observed in prestrained composites. Because macroscopic observations confirmed enhanced thermal-mechanical actuation in prestrained composites, our findings suggest that the interplay of C=C and C=O π orbitals may be instrumental to actuation. PMID:24803975

Detailed α -decay study of 180Tl

NASA Astrophysics Data System (ADS)

Andel, B.; Andreyev, A. N.; Antalic, S.; Barzakh, A.; Bree, N.; Cocolios, T. E.; Comas, V. F.; Diriken, J.; Elseviers, J.; Fedorov, D. V.; Fedosseev, V. N.; Franchoo, S.; Ghys, L.; Heredia, J. A.; Huyse, M.; Ivanov, O.; Köster, U.; Liberati, V.; Marsh, B. A.; Nishio, K.; Page, R. D.; Patronis, N.; Seliverstov, M. D.; Tsekhanovich, I.; Van den Bergh, P.; Van De Walle, J.; Van Duppen, P.; Venhart, M.; Vermote, S.; Veselský, M.; Wagemans, C.

2017-11-01

A detailed α -decay spectroscopy study of 180Tl has been performed at ISOLDE (CERN). Z -selective ionization by the Resonance Ionization Laser Ion Source (RILIS) coupled to mass separation provided a high-purity beam of 180Tl. Fine-structure α decays to excited levels in the daughter 176Au were identified and an α -decay scheme of 180Tl was constructed based on an analysis of α -γ and α -γ -γ coincidences. Multipolarities of several γ -ray transitions deexciting levels in 176Au were determined. Based on the analysis of reduced α -decay widths, it was found that all α decays are hindered, which signifies a change of configuration between the parent and all daughter states.

Measuring chemical evolution and gravitational dependence of α using ultraviolet Fe v and Ni v transitions in white-dwarf spectra

NASA Astrophysics Data System (ADS)

Ong, A.; Berengut, J. C.; Flambaum, V. V.

2013-11-01

In this paper, we present the details of the ab initio high-precision configuration interaction and many-body perturbation theory calculations that were used by Berengut [Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.111.010801 111, 010801 (2013)] to place limits on the dependence of the fine-structure constant, α, on the gravitational field of the white-dwarf star G191-B2B. These calculations were combined with laboratory wavelengths and spectra from the Hubble Space Telescope Imaging Spectrograph to obtain the result Δα/α=(4.2±1.6)×10-5 and (-6.1±5.8)×10-5 using Fe v and Ni v transitions, respectively. The uncertainty in these results are dominated by the uncertainty in the laboratory wavelengths. In this work we also present ab initio calculations of the isotopic shifts of the Fe v transitions. We show that improved laboratory spectra will enable determination of the relative isotope abundances in Fe v to an accuracy of ˜20%. Therefore this work provides a strong motivation for new laboratory measurements.

High resolution absorption spectrum of CO2between 1750 and 2000 Å. 2. Rotational analysis of two parallel-type bands assigned to the lowest electronic transition 13B2←

NASA Astrophysics Data System (ADS)

Cossart-Magos, Claudina; Launay, Françoise; Parkin, James E.

The absorption spectrum of CO2 gas between 175 and 200 nm was photographed at high resolution some years ago. This very weak spectral region proved to be extremely rich in bands showing rotational fine structure. In Part 1 [C. Cossart-Magos, F. Launay, J. E. Parkin, Mol. Phys., 75, 835 (1992), nine perpendicular-type bands were assigned to the lowest singlet-singlet transition, 11A2 ← ν'3 (b2) vibration. Here, the parallel-type bands observed at 185.7 and 175.6 nm are assigned to the lowest triplet-singlet transition, 13B2 ← TMPH0629math005 ν'2 (a1) vibration. The assignment and the rotational and spin constant values obtained are discussed in relation to previous experimental data and ab initio calculation results on the lowest excited states of CO2. The actual role of the 13B2 state in CO2 photodissociation, O(3P)+CO(X1Σ+) recombination, and O(1D) emission quenching by CO(X) molecules is reviewed.

Sand ridges off Sarasota, Florida: A complex facies boundary on a low-energy inner shelf environment

USGS Publications Warehouse

Twichell, D.; Brooks, Gillian L.; Gelfenbaum, G.; Paskevich, V.; Donahue, Brian

2003-01-01

The innermost shelf off Sarasota, Florida was mapped using sidescan-sonar imagery, seismic-reflection profiles, surface sediment samples, and short cores to define the transition between an onshore siliciclastic sand province and an offshore carbonate province and to identify the processes controlling the distribution of these distinctive facies. The transition between these facies is abrupt and closely tied to the morphology of the inner shelf. A series of low-relief nearly shore-normal ridges characterize the inner shelf. Stratigraphically, the ridges are separated from the underlying Pleistocene and Tertiary carbonate strata by the Holocene ravinement surface. While surficial sediment is fine to very-fine siliciclastic sand on the southeastern sides of the ridges and shell hash covers their northwestern sides, the cores of these Holocene deposits are a mixture of both of these facies. Along the southeastern edges of the ridges the facies boundary coincides with the discontinuity that separates the ridge deposits from the underlying strata. The transition from siliciclastic to carbonate sediment on the northwestern sides of the ridges is equally abrupt, but it falls along the crests of the ridges rather than at their edges. Here the facies transition lies within the Holocene deposit, and appears to be the result of sediment reworking by modern processes. This facies distribution primarily appears to result from south-flowing currents generated during winter storms that winnow the fine siliciclastic sediment from the troughs and steeper northwestern sides of the ridges. A coarse shell lag is left armoring the steeper northwestern sides of the ridges, and the fine sediment is deposited on the gentler southeastern sides of the ridges. This pronounced partitioning of the surficial sediment appears to be the result of the siliciclastic sand being winnowed and transported by these currents while the carbonate shell hash falls below the threshold of sediment movement and is left as a lag. The resulting facies boundaries on this low-energy, sediment-starved inner continental shelf are of two origins which both are tied to the remarkably subtle ridge morphology. Along the southeastern sides of the ridges the facies boundary coincides with a stratigraphic discontinuity that separates Holocene from the older deposits while the transition along the northwestern sides of the ridges is within the Holocene deposit and is the result of sediment redistribution by modern processes. ?? 2003 Elsevier B.V. All rights reserved.

General synthesis and definitive structural identification of MN 4C 4 single-atom catalysts with tunable electrocatalytic activities

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

Fei, Huilong; Dong, Juncai; Feng, Yexin

Single-atom catalysts (SACs) have recently attracted broad research interest as they combine the merits of both homogeneous and heterogeneous catalysts. Rational design and synthesis of SACs are of immense significance but have so far been plagued by the lack of a definitive correlation between structure and catalytic properties. Here, we report a general approach to a series of monodispersed atomic transition metals (for example, Fe, Co, Ni) embedded in nitrogen-doped graphene with a common MNsub>4C 4 moiety, identified by systematic X-ray absorption fine structure analyses and direct transmission electron microscopy imaging. The unambiguous structure determination allows density functional theoretical predictionmore » of MNsub>4C 4 moieties as efficient oxygen evolution catalysts with activities following the trend Ni > Co > Fe, which is confirmed by electrochemical measurements. Determination of atomistic structure and its correlation with catalytic properties represents a critical step towards the rational design and synthesis of precious or nonprecious SACs with exceptional atom utilization efficiency and catalytic activities.« less

Optimization of Melt Treatment for Austenitic Steel Grain Refinement

NASA Astrophysics Data System (ADS)

Lekakh, Simon N.; Ge, Jun; Richards, Von; O'Malley, Ron; TerBush, Jessica R.

2017-02-01

Refinement of the as-cast grain structure of austenitic steels requires the presence of active solid nuclei during solidification. These nuclei can be formed in situ in the liquid alloy by promoting reactions between transition metals (Ti, Zr, Nb, and Hf) and metalloid elements (C, S, O, and N) dissolved in the melt. Using thermodynamic simulations, experiments were designed to evaluate the effectiveness of a predicted sequence of reactions targeted to form precipitates that could act as active nuclei for grain refinement in austenitic steel castings. Melt additions performed to promote the sequential precipitation of titanium nitride (TiN) onto previously formed spinel (Al2MgO4) inclusions in the melt resulted in a significant refinement of the as-cast grain structure in heavy section Cr-Ni-Mo stainless steel castings. A refined as-cast structure consisting of an inner fine-equiaxed grain structure and outer columnar dendrite zone structure of limited length was achieved in experimental castings. The sequential of precipitation of TiN onto Al2MgO4 was confirmed using automated SEM/EDX and TEM analyses.

General synthesis and definitive structural identification of MN 4C 4 single-atom catalysts with tunable electrocatalytic activities

DOE PAGES

Fei, Huilong; Dong, Juncai; Feng, Yexin; ...

2018-01-08

Single-atom catalysts (SACs) have recently attracted broad research interest as they combine the merits of both homogeneous and heterogeneous catalysts. Rational design and synthesis of SACs are of immense significance but have so far been plagued by the lack of a definitive correlation between structure and catalytic properties. Here, we report a general approach to a series of monodispersed atomic transition metals (for example, Fe, Co, Ni) embedded in nitrogen-doped graphene with a common MNsub>4C 4 moiety, identified by systematic X-ray absorption fine structure analyses and direct transmission electron microscopy imaging. The unambiguous structure determination allows density functional theoretical predictionmore » of MNsub>4C 4 moieties as efficient oxygen evolution catalysts with activities following the trend Ni > Co > Fe, which is confirmed by electrochemical measurements. Determination of atomistic structure and its correlation with catalytic properties represents a critical step towards the rational design and synthesis of precious or nonprecious SACs with exceptional atom utilization efficiency and catalytic activities.« less

Hydrogeologic unit flow characterization using transition probability geostatistics.

PubMed

Jones, Norman L; Walker, Justin R; Carle, Steven F

2005-01-01

This paper describes a technique for applying the transition probability geostatistics method for stochastic simulation to a MODFLOW model. Transition probability geostatistics has some advantages over traditional indicator kriging methods including a simpler and more intuitive framework for interpreting geologic relationships and the ability to simulate juxtapositional tendencies such as fining upward sequences. The indicator arrays generated by the transition probability simulation are converted to layer elevation and thickness arrays for use with the new Hydrogeologic Unit Flow package in MODFLOW 2000. This makes it possible to preserve complex heterogeneity while using reasonably sized grids and/or grids with nonuniform cell thicknesses.

Distinct local structure of superconducting Ca10M4As8(Fe2As2)5 (M =Pt ,Ir)

NASA Astrophysics Data System (ADS)

Paris, E.; Wakita, T.; Proux, O.; Yokoya, T.; Kudo, K.; Mitsuoka, D.; Kimura, T.; Fujimura, K.; Nishimoto, N.; Ioka, S.; Nohara, M.; Mizokawa, T.; Saini, N. L.

2017-12-01

We have studied the local structure of superconducting Ca10Pt4As8(Fe2As2)5 (Pt10418) and Ca10Ir4As8(Fe2As2)5 (Ir10418) iron arsenides, showing different transition temperatures (Tc=38 and 16 K, respectively), by polarized Fe K -edge extended x-ray absorption fine-structure measurements. Despite the similar average crystal structures, the local structures of the FeAs4 tetrahedra in the two compounds are found to be very different. The FeAs4 in Pt10418 is close to a regular tetrahedron, while it deviates largely in Ir10418. The Fe-Fe correlations in the two compounds are characterized by similar bond-length characteristics; however, the static disorder in Pt10418 is significantly lower than that in Ir10418. The results suggest that the optimized local structure and reduced disorder are the reasons for higher Tc and well-defined electronic states in Pt10418 unlike Ir10418 showing the coexistence of glassy and normal electrons at the Fermi surface, and hence provide direct evidence of the local-structure-driven optimization of the electronic structure and superconductivity in iron arsenides.

An Action-Based Fine-Grained Access Control Mechanism for Structured Documents and Its Application

PubMed Central

Su, Mang; Li, Fenghua; Tang, Zhi; Yu, Yinyan; Zhou, Bo

2014-01-01

This paper presents an action-based fine-grained access control mechanism for structured documents. Firstly, we define a describing model for structured documents and analyze the application scenarios. The describing model could support the permission management on chapters, pages, sections, words, and pictures of structured documents. Secondly, based on the action-based access control (ABAC) model, we propose a fine-grained control protocol for structured documents by introducing temporal state and environmental state. The protocol covering different stages from document creation, to permission specification and usage control are given by using the Z-notation. Finally, we give the implementation of our mechanism and make the comparisons between the existing methods and our mechanism. The result shows that our mechanism could provide the better solution of fine-grained access control for structured documents in complicated networks. Moreover, it is more flexible and practical. PMID:25136651

An action-based fine-grained access control mechanism for structured documents and its application.

PubMed

Su, Mang; Li, Fenghua; Tang, Zhi; Yu, Yinyan; Zhou, Bo

2014-01-01

This paper presents an action-based fine-grained access control mechanism for structured documents. Firstly, we define a describing model for structured documents and analyze the application scenarios. The describing model could support the permission management on chapters, pages, sections, words, and pictures of structured documents. Secondly, based on the action-based access control (ABAC) model, we propose a fine-grained control protocol for structured documents by introducing temporal state and environmental state. The protocol covering different stages from document creation, to permission specification and usage control are given by using the Z-notation. Finally, we give the implementation of our mechanism and make the comparisons between the existing methods and our mechanism. The result shows that our mechanism could provide the better solution of fine-grained access control for structured documents in complicated networks. Moreover, it is more flexible and practical.

InAs Band-Edge Exciton Fine Structure

DTIC Science & Technology

2015-07-29

Chapter 1 InAs Band-Edge Exciton Fine Structure 1.1 Contributions This work was carried out in collaboration with Oscar Sandoval, a summer student at...diffusion,1,2 charg- ing,2,3 and excitonic fine structure.1,3–9 While spectral diffusion and charging are most likely photoinduced effects and thus can be...unavoidable. A complete understanding of the excitonic 1 Distribution A: Public Release energy landscape enables us to determine dephasing rates

Phase transition behavior of sediment transport at the sand-mud interface, across scales from flumes to the large rivers

NASA Astrophysics Data System (ADS)

Ma, H.; Nittrouer, J. A.; Wu, B.; Zhang, Y.; Mohrig, D. C.; Lamb, M. P.; Wang, Y.; Fu, X.; Moodie, A. J.; Naito, K.; Parker, G.

2017-12-01

Sediment dispersal and deposition creates deltaic landscapes, establishes coastlines, and produces fertile floodplains, all of which serve as critical landforms inhabited by a large proportion of humankind. If poorly managed, sediment loads in these environments can elevate and clog channels, thereby enhancing hazards such as severe flooding. Predictive descriptions of sediment loads, however, are not well constrained, especially for fine-grained (silt and very-fine sand) dispersal systems, which often include river deltas and coastlines. Here, we show efforts to collect and analyze an extensive sediment load database for fine-grained channels, spanning from small flume experiments to large rivers, in order to evaluate the nature of sediment flux. Our analyses determined that sediment transport exhibits two distinct transport phases, separated by a discontinuous transition, whereby sediment flux differs by one to two orders of magnitude. It is determined that the transition responds to the bed material grain size, and we propose a phase diagram based on this metric alone. These findings help elucidate why previous theories of sediment transport at the sand-silt interface, which are typically continuous, are not able to give satisfactory predictions across different scales and environments. Our work serves to help evaluate anthropic influences on rivers, deltas, and coastlines, and can be applied to better constrain sediment flux of paleo-fluvial systems found on Earth and Mars. For example, in situ measurements of sediment flux for the silty-sandy bed of the lower Yellow River, China, validate the aforementioned phase transition behavior, and illustrate that the channel resides near the transition of high to low efficiency transport modes. Recent dam construction and resulting downstream coarsening of the bed via armoring, however, might lead to the unintended consequence of enhancing flood risk by driving the system to a low efficiency transport mode with high resistance to sediment-laden flow, which in turn will elevate the water stage under the same flood discharge.

Structural and optical inhomogeneities of Fe doped GaN grown by hydride vapor phase epitaxy

NASA Astrophysics Data System (ADS)

Malguth, E.; Hoffmann, A.; Phillips, M. R.

2008-12-01

We present the results of cathodoluminescence experiments on a set of Fe doped GaN samples with Fe concentrations of 5×1017, 1×1018, 1×1019, and 2×1020 cm-3. These specimens were grown by hydride vapor phase epitaxy with different concentrations of Fe. The introduction of Fe is found to promote the formation of structurally inhomogeneous regions of increased donor concentration. We detect a tendency of these regions to form hexagonal pits at the surface. The locally increased carrier concentration leads to enhanced emission from the band edge and the internal T41(G)-A61(S) transition of Fe3+. In these areas, the luminescence forms a finely structured highly symmetric pattern, which is attributed to defect migration along strain-field lines. Fe doping is found to quench the yellow defect luminescence band and to enhance the blue luminescence band due to the lowering of the Fermi level and the formation of point defects, respectively.

Effects of Ag addition on FePt L1{sub 0} ordering transition: A direct observation of ordering transition and Ag segregation in FePtAg alloy films

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

Wang, Lei; Yu, Youxing, E-mail: yuyouxing@buaa.edu.cn; Gao, Tenghua

FePt and (FePt){sub 91.2}Ag{sub 8.8} alloy films were deposited by magnetron sputtering. The average coercivity of (FePt){sub 91.2}Ag{sub 8.8} films reaches 8.51 × 10{sup 5} A/m, which is 0.63 × 10{sup 5} A/m higher than that of the corresponding FePt films. Ag addition effectively promotes the FePt L1{sub 0} ordering transition at a relatively low annealing temperature of 400 °C. The promotion mechanism was investigated by using in situ high-resolution transmission electron microscopy (HRTEM) and ex situ X-ray absorption fine structure (XAFS). The concurrence of ordering transition and Ag segregation in FePtAg alloy films was first observed by using in situ heating HRTEM. The time-resolved evolution revealsmore » more details on the role of Ag addition in FePt low-temperature ordering. Ex situ XAFS results further confirm that Ag replaces Fe sites in the as-deposited films and segregates from FePt-Ag solid solution phase through annealing at elevated temperatures. The segregation of Ag atoms leaves vacancies in the grain. The vacancy formation is believed to accelerate the diffusion of Fe and Pt atoms, which is critical for the L1{sub 0} ordering transition.« less

Cation–Eutectic Transition via Sublattice Melting in CuInP 2S 6/In 4/3P 2S 6 van der Waals Layered Crystals

DOE PAGES

Susner, Michael A.; Chyasnavichyus, Marius; Puretzky, Alexander A.; ...

2017-07-07

Single crystals of the van der Waals layered ferrielectric material CuInP 2S 6 spontaneously phase separate when synthesized with Cu deficiency. In this paper, we identify a route to form and tune intralayer heterostructures between the corresponding ferrielectric (CuInP 2S 6) and paraelectric (In 4/3P 2S 6) phases through control of chemical phase separation. We conclusively demonstrate that Cu-deficient Cu 1–xIn 1+x/3P 2S 6 forms a single phase at high temperature. We also identify the mechanism by which the phase separation proceeds upon cooling. Above 500 K both Cu + and In 3+ become mobile, while P 2S 6 4–more » anions maintain their structure. We therefore propose that this transition can be understood as eutectic melting on the cation sublattice. Such a model suggests that the transition temperature for the melting process is relatively low because it requires only a partial reorganization of the crystal lattice. As a result, varying the cooling rate through the phase transition controls the lateral extent of chemical domains over several decades in size. At the fastest cooling rate, the dimensional confinement of the ferrielectric CuInP 2S 6 phase to nanoscale dimensions suppresses ferrielectric ordering due to the intrinsic ferroelectric size effect. Finally, intralayer heterostructures can be formed, destroyed, and re-formed by thermal cycling, thus enabling the possibility of finely tuned ferroic structures that can potentially be optimized for specific device architectures.« less

Cation–Eutectic Transition via Sublattice Melting in CuInP 2S 6/In 4/3P 2S 6 van der Waals Layered Crystals

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

Susner, Michael A.; Chyasnavichyus, Marius; Puretzky, Alexander A.

Single crystals of the van der Waals layered ferrielectric material CuInP 2S 6 spontaneously phase separate when synthesized with Cu deficiency. In this paper, we identify a route to form and tune intralayer heterostructures between the corresponding ferrielectric (CuInP 2S 6) and paraelectric (In 4/3P 2S 6) phases through control of chemical phase separation. We conclusively demonstrate that Cu-deficient Cu 1–xIn 1+x/3P 2S 6 forms a single phase at high temperature. We also identify the mechanism by which the phase separation proceeds upon cooling. Above 500 K both Cu + and In 3+ become mobile, while P 2S 6 4–more » anions maintain their structure. We therefore propose that this transition can be understood as eutectic melting on the cation sublattice. Such a model suggests that the transition temperature for the melting process is relatively low because it requires only a partial reorganization of the crystal lattice. As a result, varying the cooling rate through the phase transition controls the lateral extent of chemical domains over several decades in size. At the fastest cooling rate, the dimensional confinement of the ferrielectric CuInP 2S 6 phase to nanoscale dimensions suppresses ferrielectric ordering due to the intrinsic ferroelectric size effect. Finally, intralayer heterostructures can be formed, destroyed, and re-formed by thermal cycling, thus enabling the possibility of finely tuned ferroic structures that can potentially be optimized for specific device architectures.« less

Fine reservoir structure modeling based upon 3D visualized stratigraphic correlation between horizontal wells: methodology and its application

NASA Astrophysics Data System (ADS)

Chenghua, Ou; Chaochun, Li; Siyuan, Huang; Sheng, James J.; Yuan, Xu

2017-12-01

As the platform-based horizontal well production mode has been widely applied in petroleum industry, building a reliable fine reservoir structure model by using horizontal well stratigraphic correlation has become very important. Horizontal wells usually extend between the upper and bottom boundaries of the target formation, with limited penetration points. Using these limited penetration points to conduct well deviation correction means the formation depth information obtained is not accurate, which makes it hard to build a fine structure model. In order to solve this problem, a method of fine reservoir structure modeling, based on 3D visualized stratigraphic correlation among horizontal wells, is proposed. This method can increase the accuracy when estimating the depth of the penetration points, and can also effectively predict the top and bottom interfaces in the horizontal penetrating section. Moreover, this method will greatly increase not only the number of points of depth data available, but also the accuracy of these data, which achieves the goal of building a reliable fine reservoir structure model by using the stratigraphic correlation among horizontal wells. Using this method, four 3D fine structure layer models have been successfully built of a specimen shale gas field with platform-based horizontal well production mode. The shale gas field is located to the east of Sichuan Basin, China; the successful application of the method has proven its feasibility and reliability.

In silico Exploration of the Conformational Universe of GPCRs.

PubMed

Rodríguez-Espigares, Ismael; Kaczor, Agnieszka A; Selent, Jana

2016-07-01

The structural plasticity of G protein coupled receptors (GPCRs) leads to a conformational universe going from inactive to active receptor states with several intermediate states. Many of them have not been captured yet and their role for GPCR activation is not well understood. The study of this conformational space and the transition dynamics between different receptor populations is a major challenge in molecular biophysics. The rational design of effector molecules that target such receptor populations allows fine-tuning receptor signalling with higher specificity to produce drugs with safer therapeutic profiles. In this minireview, we outline highly conserved receptor regions which are considered determinant for the establishment of distinct receptor states. We then discuss in-silico approaches such as dimensionality reduction methods and Markov State Models to explore the GPCR conformational universe and exploit the obtained conformations through structure-based drug design. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Efficient first-principles prediction of solid stability: Towards chemical accuracy

NASA Astrophysics Data System (ADS)

Zhang, Yubo; Kitchaev, Daniil A.; Yang, Julia; Chen, Tina; Dacek, Stephen T.; Sarmiento-Pérez, Rafael A.; Marques, Maguel A. L.; Peng, Haowei; Ceder, Gerbrand; Perdew, John P.; Sun, Jianwei

2018-03-01

The question of material stability is of fundamental importance to any analysis of system properties in condensed matter physics and materials science. The ability to evaluate chemical stability, i.e., whether a stoichiometry will persist in some chemical environment, and structure selection, i.e. what crystal structure a stoichiometry will adopt, is critical to the prediction of materials synthesis, reactivity and properties. Here, we demonstrate that density functional theory, with the recently developed strongly constrained and appropriately normed (SCAN) functional, has advanced to a point where both facets of the stability problem can be reliably and efficiently predicted for main group compounds, while transition metal compounds are improved but remain a challenge. SCAN therefore offers a robust model for a significant portion of the periodic table, presenting an opportunity for the development of novel materials and the study of fine phase transformations even in largely unexplored systems with little to no experimental data.

Electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations of ethyl acetate

NASA Astrophysics Data System (ADS)

Śmialek, Malgorzata A.; Łabuda, Marta; Guthmuller, Julien; Hubin-Franskin, Marie-Jeanne; Delwiche, Jacques; Hoffmann, Søren Vrønning; Jones, Nykola C.; Mason, Nigel J.; Limão-Vieira, Paulo

2016-06-01

The high-resolution vacuum ultraviolet photoabsorption spectrum of ethyl acetate, C4H8O2, is presented over the energy range 4.5-10.7 eV (275.5-116.0 nm). Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. Also, the photoabsorption cross sections have been used to calculate the photolysis lifetime of this ester in the upper stratosphere (20-50 km). Calculations have also been carried out to determine the ionisation energies and fine structure of the lowest ionic state of ethyl acetate and are compared with a newly recorded photoelectron spectrum (from 9.5 to 16.7 eV). Vibrational structure is observed in the first photoelectron band of this molecule for the first time.

The molecular mechanism of Mo isotope fractionation during adsorption to birnessite

USGS Publications Warehouse

Wasylenki, L.E.; Weeks, C.L.; Bargar, J.R.; Spiro, T.G.; Hein, J.R.; Anbar, A.D.

2011-01-01

Fractionation of Mo isotopes during adsorption to manganese oxides is a primary control on the global ocean Mo isotope budget. Previous attempts to explain what drives the surprisingly large isotope effect ??97/95Modissolved-??97/95Moadsorbed=1.8??? have not successfully resolved the fractionation mechanism. New evidence from extended X-ray absorption fine structure analysis and density functional theory suggests that Mo forms a polymolybdate complex on the surfaces of experimental and natural samples. Mo in this polynuclear structure is in distorted octahedral coordination, while Mo remaining in solution is predominantly in tetrahedral coordination as MoO42- Our results indicate that the difference in coordination environment between dissolved Mo and adsorbed Mo is the cause of isotope fractionation. The molecular mechanism of metal isotope fractionation in this system should enable us to explain and possibly predict metal isotope effects in other systems where transition metals adsorb to mineral surfaces. ?? 2011 Elsevier Ltd.

Nonrelativistic quantum theory of the contact inelastic scattering of an x-ray photon by an atom

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

Hopersky, Alexey N.; Nadolinsky, Alexey M.

The nonrelativistic analytical structure of the doubly differential cross section of the contact inelastic scattering of an x-ray photon by a free atom is determined by means of the irreducible tensor operator theory outside the frame of the impulse approximation. For the neon atom in the vicinity of the 1s shell ionization threshold our theory predicts the existence of the distinct fine structure of the cross section caused by transitions of the atomic core electrons into the excited discrete spectrum states. The results of our calculations with inclusion of the effects of radial relaxation, inelastic scattering through the intermediate states,more » and elastic Rayleigh scattering, are predictions, while at the 22 keV incident photons they compare well with the synchrotron experiment by Jung et al. [Phys. Rev. Lett. 81, 1596 (1998)].« less

Comparative NEXAFS study of the selected icefish hard tissues and hydroxyapatite

NASA Astrophysics Data System (ADS)

Petrova, O. V.; Nekipelov, S. V.; Sivkov, D. V.; Mingaleva, A. E.; Nikolaev, A.; Frank-Kamenetskaya, O. V.; Bazhenov, V. V.; Vyalikh, D. V.; Molodtsov, S. L.; Sivkov, V. N.; Ehrlich, H.

2017-11-01

The structure of native Champsocephalus gunnari icefish otoliths, scales, teeth, bones and pristine hydroxyapatite (HA) were examined using Near Edge X-ray Absorption Fine Structure (NEXAFS) spectroscopy. NEXAFS Cls-absorption spectra of the selected icefish hard tissues indicate that otoliths contain anion [CO3]2-. NEXAFS P2p-spectra clearly indicate the absence of phosphorus atoms only within otoliths and scales samples. However, the icefish teeth and bones P2p-spectra demonstrate identical spectral feature typical for the HA. NEXAFS Ca2p-spectra of the icefish hard tissues studied also shows features, which are in good correspondence with HA spectra. Interestingly, there is a red shift ≈ 0.1 eV of the 2p1/2,3/2 → 3d transition energies in NEXAFS Ca2p-spectra of teethes and bones of the C. gunnari in comparison to HA.

The impact of cochlear fine structure on hearing thresholds and DPOAE levels

NASA Astrophysics Data System (ADS)

Lee, Jungmee; Long, Glenis; Talmadge, Carrick L.

2004-05-01

Although otoacoustic emissions (OAE) are used as clinical and research tools, the correlation between OAE behavioral estimates of hearing status is not large. In normal-hearing individuals, the level of OAEs can vary as much as 30 dB when the frequency is changed less than 5%. These pseudoperiodic variations of OAE level with frequency are known as fine structure. Hearing thresholds measured with high-frequency resolution reveals a similar (up to 15 dB) fine structure. We examine the impact of OAE and threshold fine structures on the prediction of auditory thresholds from OAE levels. Distortion product otoacoustic emissions (DPOAEs) were measured with sweeping primary tones. Psychoacoustic detection thresholds were measured using pure tones, sweep tones, FM tones, and narrow-band noise. Sweep DPOAE and narrow-band threshold estimates provide estimates that are less influenced by cochlear fine structure and should lead to a higher correlation between OAE levels and psychoacoustic thresholds. [Research supported by PSC CUNY, NIDCD, National Institute on Disability and Rehabilitation Research in U.S. Department of Education, and The Ministry of Education in Korea.

Relative f-values from interstellar absorption lines: advantages and pitfalls

NASA Astrophysics Data System (ADS)

Jenkins, Edward B.

2009-05-01

Interstellar absorption features seen in the ultraviolet and visible spectra of stars provide opportunities for comparing the strengths of different transitions out of the ground electronic states of atoms, ions and simple molecules. In principle, such measurements are straightforward since the radiative transfer is manifested as a simple exponential absorption law at any given radial velocity. Complications arise when the velocity structures of the lines are not completely resolved, or when the lines are either very strongly saturated or too weak to observe. Dynamic range limitations can compromise the comparisons of two transitions that have very different absorption f-values, but they can be mitigated if there are examples with very different column densities and transitions of intermediate strength that can help to bridge the large gap in line strengths. Attempts to unravel the effects of saturation include the use of a curve of growth when only equivalent widths are available, or the measurements of the 'apparent optical depth' when the line is mostly resolved by the instrument. Unfortunately, the application of the curve of growth for one constituent to that of another can sometimes create systematic errors, since the two may have different velocity structures. Likewise, unresolved fine velocity structures in features that have large optical depths can make the apparent optical depths misrepresent the smoothed versions of the true optical depths. One method to compare the strength of a very weak line to that of a very strong one is to measure the total absorption of the former and compare it with the strength of the damping wings of the latter. However in many circumstances, small amounts of gas at velocities well displaced from the line center can masquerade as damping wings. For this reason, it is important to check that these wings have the proper shape.

Iron phosphate glasses: Bulk properties and atomic scale structure

NASA Astrophysics Data System (ADS)

Joseph, Kitheri; Stennett, Martin C.; Hyatt, Neil C.; Asuvathraman, R.; Dube, Charu L.; Gandy, Amy S.; Govindan Kutty, K. V.; Jolley, Kenny; Vasudeva Rao, P. R.; Smith, Roger

2017-10-01

Bulk properties such as glass transition temperature, density and thermal expansion of iron phosphate glass compositions, with replacement of Cs by Ba, are investigated as a surrogate for the transmutation of 137Cs to 137Ba, relevant to the immobilisation of Cs in glass. These studies are required to establish the appropriate incorporation rate of 137Cs in iron phosphate glass. Density and glass transition temperature increases with the addition of BaO indicating the shrinkage and reticulation of the iron phosphate glass network. The average thermal expansion coefficient reduces from 19.8 × 10-6 K-1 to 13.4 × 10-6 K-1, when 25 wt. % of Cs2O was replaced by 25 wt. % of BaO in caesium loaded iron phosphate glass. In addition to the above bulk properties, the role of Ba as a network modifier in the structure of iron phosphate glass is examined using various spectroscopic techniques. The FeII content and average coordination number of iron in the glass network was estimated using Mössbauer spectroscopy. The FeII content in the un-doped iron phosphate glass and barium doped iron phosphate glasses was 20, 21 and 22 ± 1% respectively and the average Fe coordination varied from 5.3 ± 0.2 to 5.7 ± 0.2 with increasing Ba content. The atomic scale structure was further probed by Fe K-edge X-ray absorption spectroscopy. The average coordination number provided by extended X-ray absorption fine structure spectroscopy and X-ray absorption near edge structure was in good agreement with that given by the Mössbauer data.

Error-growth dynamics and predictability of surface thermally induced atmospheric flow

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

Zeng, X.; Pielke, R.A.

1993-09-01

Using the CSU Regional Atmospheric Modeling System (RAMS) in its nonhydrostatic and compressible configuration, over 200 two-dimensional simulations with [Delta]x = 2 km and [Delta]x = 100 m are performed to study in detail the initial adjustment process and the error-growth dynamics of surface thermally induced circulation including the sensitivity to initial conditions, boundary conditions, and model parameters, and to study the predictability as a function of the size of surface heat patches under a calm mean wind. It is found that the error growth is not sensitive to the characterisitics of the initial perturbations. The numerical smoothing has amore » strong impact on the initial adjustment process and on the error-growth dynamics. The predictability and flow structures, it is found that the vertical velocity field is strongly affected by the mean wind, and the flow structures are quite sensitive to the initial soil water content. The transition from organized flow to the situation in which fluxes are dominated by noncoherent turbulent eddies under a calm mean wind is quantitatively evaluated and this transition is different for different variables. The relationship between the predictability of a realization and of an ensemble average is discussed. The predictability and the coherent circulations modulated by the surface inhomogeneities are also studied by computing the autocorrelations and the power spectra. The three-dimensional mesoscale and large-eddy simulations are performed to verify the above results. It is found that the two-dimensional mesoscale (or fine resolution) simulation yields very close or similar results regarding the predictability as those from the three-dimensional mesoscale (or large eddy) simulation. The horizontally averaged quantities based on two-dimensional fine-resolution simulations are insensitive to initial perturbations and agree with those based on three-dimensional large-eddy simulations. 87 refs., 25 figs.« less

CONSTRAINTS ON SPATIAL VARIATIONS IN THE FINE-STRUCTURE CONSTANT FROM PLANCK

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

O'Bryan, Jon; Smidt, Joseph; De Bernardis, Francesco

2015-01-01

We use the cosmic microwave background (CMB) anisotropy data from Planck to constrain the spatial fluctuations of the fine-structure constant α at a redshift of 1100. We use a quadratic estimator to measure the four-point correlation function of the CMB temperature anisotropies and extract the angular power spectrum fine-structure constant spatial variations projected along the line of sight at the last scattering surface. At tens of degree angular scales and above, we constrain the fractional rms fluctuations of the fine-structure constant to be (δα/α){sub rms} < 3.4 × 10{sup –3} at the 68% confidence level. We find no evidence formore » a spatially varying α at a redshift of 10{sup 3}.« less

Spectral structure and stability studies on microstructure-fiber continuum

NASA Astrophysics Data System (ADS)

Gu, Xun; Kimmel, Mark; Zeek, Erik; Shreenath, Aparna P.; Trebino, Rick P.; Windeler, Robert S.

2003-07-01

Although previous direct measurements of the microstructure-fiber continuum have all showed a smooth and stable spectrum, our cross-correlation frequency-resolved optical gating (XFROG) full-intensity-and-phase characterization of the continuum pulse, utilizing sum-frequency-generation with a pre-characterized reference pulse and the angle-dithered-crystal technique, indicates that fine-scale spectral structure exists on a single-shot basis, contrary to previous observations. In particular, deep and fine oscillations are found in the retrieved spectrum, and the retrieved trace contains a "measles" pattern, whereas the measured trace and the independently-measured spectrum are rather smooth. The discrepancy is shown to be the result of unstable single-shot spectral structure. Although the XFROG measurement is not able to directly measure the single-shot fine structure in the trace, the redundancy of information in FROG traces enables the retrieval algorithm to correctly recognize the existence of the spectral fine structure, and restore the structure in the retrieved trace and spectrum. Numerical simulations have supported our hypothesis, and we directly observed the fine spectral structure in single-shot measurements of the continuum spectrum and the structure was seen to be highly unstable, the continuum spectrum appearing smooth only when many shots are averaged. Despite the structure and instability in the continuum spectrum, coherence experiments also reveal that the spectral phase is rather stable, being able to produce well-defined spectral fringes across the entire continuum bandwidth.

Fine structural dependence of ultraviolet reflections in the King Penguin beak horn.

PubMed

Dresp, Birgitta; Langley, Keith

2006-03-01

The visual perception of many birds extends into the near-ultraviolet (UV) spectrum and ultraviolet is used by some to communicate. The beak horn of the King Penguin (Aptenodytes patagonicus) intensely reflects in the ultraviolet and this appears to be implicated in partner choice. In a preliminary study, we recently demonstrated that this ultraviolet reflectance has a structural basis, resulting from crystal-like photonic structures, capable of reflecting in the near-UV. The present study attempted to define the origin of the photonic elements that produce the UV reflectance and to better understand how the UV signal is optimized by their fine structure. Using light and electron microscopic analysis combined with new spectrophotometric data, we describe here in detail the fine structure of the entire King Penguin beak horn in addition to that of its photonic crystals. The data obtained reveal a one-dimensional structural periodicity within this tissue and demonstrate a direct relationship between its fine structure and its function. In addition, they suggest how the photonic structures are produced and how they are stabilized. The measured lattice dimensions of the photonic crystals, together with morphological data on its composition, permit predictions of the wavelength of reflected light. These correlate well with experimentally observed values. The way the UV signal is optimized by the fine structure of the beak tissue is discussed with regard to its putative biological role.

Analysis of the vibronic fine structure in circularly polarized emission spectra from chiral molecular aggregates.

PubMed

Spano, Frank C; Zhao, Zhen; Meskers, Stefan C J

2004-06-08

Using a Frenkel-exciton model, the degree of circular polarization of the luminescence (g(lum)) from one-dimensional, helical aggregates of chromophoric molecules is investigated theoretically. The coupling between the electronic excitation and a local, intramolecular vibrational mode is taken into account. Analytical expressions for the fluorescence band shape and g(lum) are presented for the case of strong and weak electronic coupling between the chromophoric units. Results are compared to those from numerical calculations obtained using the three particle approximation. g(lum) for the 0-0 vibronic band is found to be independent of the relative strength of electronic coupling between chromophores and excitation-vibration coupling. It depends solely on the number of coherently coupled molecules. In contrast, for the higher vibronic transitions[g(lum)] decreases with decreasing strength of the electronic coupling. In the limit of strong electronic coupling, [g(lum)] is almost constant throughout the series of vibronic transitions but for weak coupling [g(lum)] becomes vanishingly small for all vibronic transitions except for the 0-0 transition. The results are interpreted in terms of dynamic localization of the excitation during the zero point vibrational motion in the excited state of the aggregate. It is concluded that circular polarization measurements provide an independent way to determine the coherence size and bandwidth of the lowest exciton state for chiral aggregates. (c) 2004 American Institute of Physics.

Atomic Data and Spectral Line Intensities for NI XVII

NASA Technical Reports Server (NTRS)

Bhatia, A. K.; Landi, E.

2011-01-01

Electron impact collision strengths, energy levels, oscillator strengths, and spontaneous radiative decay rates are calculated for Ni XVII. We include in the calculations the 23 lowest configurations, corresponding to 159 fine-structure levels: 3l3l', 3l4l0'' , and 3s5l0''' , with l,l' = s,p,d, l'' = s,p,d, f, and l''' = s,p,d. Collision strengths are calculated at five incident energies for all transitions at varying energies above the threshold of each transition. One additional energy, very close to the threshold of each transition, has also been included. Calculations have been carried out using the Flexible Atomic Code in the distorted wave approximation. Additional calculations have been performed with the University College London suite of codes for comparison. Excitation rate coefficients are calculated as a function of electron temperature by assuming a Maxwellian electron velocity distribution. Using the excitation rate coefficients and the radiative transition rates of the present work, statistical equilibrium equations for level populations are solved at electron densities covering the range of 10(exp 8) - 10(exp 14) / cubic cm and at an electron temperature of logT(sub e)e(K) = 6.5, corresponding to the maximum abundance of Ni XVII. Spectral line intensities are calculated, and their diagnostic relevance is discussed. This dataset will be made available in the next version of the CHIANTI database

Atomic Data and Spectral Line Intensities for Ca IX

NASA Technical Reports Server (NTRS)

Landi, E.; Bhatia, A. K.

2012-01-01

Electron impact collision strengths, energy levels, oscillator strengths and spontaneous radiative decay rates are calculated for Ca IX. We include in the calculations the 33 lowest configurations in the n = 3, 4, 5 complexes, corresponding to 283 fine structure levels in the 3l3l ', 3l4l'' and 3l4l''' configurations, where l,l' = s, p, d, l '' = s, p, d, f and l''' = s, p, d, f, g. Collision strengths are calculated at five incident energies for all transitions: 5.8, 13.6, 24.2, 38.6 and 57.9 Ry above the threshold of each transition. An additional energy, very close to the transition threshold, has been added, whose value is between 0.0055 Ry and 0.23 Ry depending on the levels involved. Calculations have been carried out using the Flexible Atomic Code and the distorted wave approximation. Excitation rate coefficients are calculated as a function of electron temperature by assuming a Maxwellian electron velocity distribution. Using the excitation rate coefficients and the radiative transition rates calculated in the present work, statistical equilibrium equations for level populations are solved at electron densities covering the 10(exp 8)-10(exp 14)/cubic cm range and at an electron temperature of log T(sub e)(K)=5.8, corresponding to the maximum abundance of Ca IX. Spectral line intensities are calculated, and their diagnostic relevance is discussed.

Rates of E1, E2, M1, and M2 transitions in Ni II

NASA Astrophysics Data System (ADS)

Cassidy, C. M.; Hibbert, A.; Ramsbottom, C. A.

2016-03-01

Aims: We present rates for all E1, E2, M1, and M2 transitions among the 295 fine-structure levels of the configurations 3d9, 3d84s, 3d74s2, 3d84p, and 3d74s4p, determined through an extensive configuration interaction calculation. Methods: The CIV3 code developed by Hibbert and coworkers is used to determine for these levels configuration interaction wave functions with relativistic effects introduced through the Breit-Pauli approximation. Results: Two different sets of calculations have been undertaken with different 3d and 4d functions to ascertain the effect of such variation. The main body of the text includes a representative selection of data, chosen so that key points can be discussed. Some analysis to assess the accuracy of the present data has been undertaken, including comparison with earlier calculations and the more limited range of experimental determinations. The full set of transition data is given in the supplementary material as it is very extensive. Conclusions: We believe that the present transition data are the best currently available. Full Table 4 and Tables 5-8 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/587/A107

Spin fine structure of optically excited quantum dot molecules

NASA Astrophysics Data System (ADS)

Scheibner, M.; Doty, M. F.; Ponomarev, I. V.; Bracker, A. S.; Stinaff, E. A.; Korenev, V. L.; Reinecke, T. L.; Gammon, D.

2007-06-01

The interaction between spins in coupled quantum dots is revealed in distinct fine structure patterns in the measured optical spectra of InAs/GaAs double quantum dot molecules containing zero, one, or two excess holes. The fine structure is explained well in terms of a uniquely molecular interplay of spin-exchange interactions, Pauli exclusion, and orbital tunneling. This knowledge is critical for converting quantum dot molecule tunneling into a means of optically coupling not just orbitals but also spins.

Multigrid direct numerical simulation of the whole process of flow transition in 3-D boundary layers

NASA Technical Reports Server (NTRS)

Liu, Chaoqun; Liu, Zhining

1993-01-01

A new technology was developed in this study which provides a successful numerical simulation of the whole process of flow transition in 3-D boundary layers, including linear growth, secondary instability, breakdown, and transition at relatively low CPU cost. Most other spatial numerical simulations require high CPU cost and blow up at the stage of flow breakdown. A fourth-order finite difference scheme on stretched and staggered grids, a fully implicit time marching technique, a semi-coarsening multigrid based on the so-called approximate line-box relaxation, and a buffer domain for the outflow boundary conditions were all used for high-order accuracy, good stability, and fast convergence. A new fine-coarse-fine grid mapping technique was developed to keep the code running after the laminar flow breaks down. The computational results are in good agreement with linear stability theory, secondary instability theory, and some experiments. The cost for a typical case with 162 x 34 x 34 grid is around 2 CRAY-YMP CPU hours for 10 T-S periods.

Key experimental information on intermediate-range atomic structures in amorphous Ge2Sb2Te5 phase change material

NASA Astrophysics Data System (ADS)

Hosokawa, Shinya; Pilgrim, Wolf-Christian; Höhle, Astrid; Szubrin, Daniel; Boudet, Nathalie; Bérar, Jean-François; Maruyama, Kenji

2012-04-01

Laser-induced crystalline-amorphous phase change of Ge-Sb-Te alloys is the key mechanism enabling the fast and stable writing/erasing processes in rewritable optical storage devices, such as digital versatile disk (DVD) or blu-ray disk. Although the structural information in the amorphous phase is essential for clarifying this fast process, as well as long lasting stabilities of both the phases, experimental works were mostly limited to the short-range order by x ray absorption fine structure. Here we show both the short and intermediate-range atomic structures of amorphous DVD material, Ge2Sb2Te5 (GST), investigated by a combination of anomalous x ray scattering and reverse Monte Carlo modeling. From the obtained atomic configurations of amorphous GST, we have found that the Sb atoms and half of the Ge atoms play roles in the fast phase change process of order-disorder transition, while the remaining Ge atoms act for the proper activation energy of barriers between the amorphous and crystalline phases.

Layers: A molecular surface peeling algorithm and its applications to analyze protein structures

PubMed Central

Karampudi, Naga Bhushana Rao; Bahadur, Ranjit Prasad

2015-01-01

We present an algorithm ‘Layers’ to peel the atoms of proteins as layers. Using Layers we show an efficient way to transform protein structures into 2D pattern, named residue transition pattern (RTP), which is independent of molecular orientations. RTP explains the folding patterns of proteins and hence identification of similarity between proteins is simple and reliable using RTP than with the standard sequence or structure based methods. Moreover, Layers generates a fine-tunable coarse model for the molecular surface by using non-random sampling. The coarse model can be used for shape comparison, protein recognition and ligand design. Additionally, Layers can be used to develop biased initial configuration of molecules for protein folding simulations. We have developed a random forest classifier to predict the RTP of a given polypeptide sequence. Layers is a standalone application; however, it can be merged with other applications to reduce the computational load when working with large datasets of protein structures. Layers is available freely at http://www.csb.iitkgp.ernet.in/applications/mol_layers/main. PMID:26553411

Heating the sun's lower transition region with fine-scale electric currents

NASA Technical Reports Server (NTRS)

Rabin, D.; Moore, R.

1984-01-01

Analytical and observational data are presented to show that the lower transition zone, a 100 km thick region at 10,000-200,000 K between the solar chromosphere and corona, is heated by local electric currents. The study was spurred by correlations between the enhanced atmospheric heating and magnetospheric flux in the chromospheric network and active regions. Field aligned current heated flux loops are asserted to mainly reside in and make up most of the transition region. It is shown that thermal conduction from the sides of hot gas columns generated by the current dissipation is the source of the observed temperature distribution in the transition regions.

Morphology and properties of low-carbon bainite

NASA Astrophysics Data System (ADS)

Ohtani, H.; Okaguchi, S.; Fujishiro, Y.; Ohmori, Y.

1990-03-01

Morphology of low-carbon bainite in commercial-grade high-tensile-strength steels in both isothermal transformation and continuous cooling transformation is lathlike ferrite elongated in the <11l>b direction. Based on carbide distribution, three types of bainites are classified: Type I, is carbide-free, Type II has fine carbide platelets lying between laths, and Type III has carbides parallel to a specific ferrite plane. At the initial stage of transformation, upper bainitic ferrite forms a subunit elongated in the [-101]f which is nearly parallel to the [lll]b direction with the cross section a parallelogram shape. Coalescence of the subunit yields the lathlike bainite with the [-101]f growth direction and the habit plane between (232)f and (lll)f. Cementite particles precipitate on the sidewise growth tips of the Type II bainitic ferrite subunit. This results in the cementite platelet aligning parallel to a specific ferrite plane in the laths after coalescence. These morphologies of bainites are the same in various kinds of low-carbon high-strength steels. The lowest brittle-ductile transition temperature and the highest strength were obtained either by Type III bainite or bainite/martensite duplex structure because of the crack path limited by fine unit microstructure. It should also be noted that the tempered duplex structure has higher strength than the tempered martensite in the tempering temperature range between 200 °C and 500 °C. In the case of controlled rolling, the accelerated cooling afterward produces a complex structure comprised of ferrite, cementite, and martensite as well as BI-type bainite. Type I bainite in this structure is refined by controlled rolling and plays a very important role in improving the strength and toughness of low-carbon steels.

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

Ozkendir, Osman Murat, E-mail: ozkendir@gmail.com

Highlights: • Crystal and electronic structure properties of Nd{sub x}Ti{sub 1−x}BO{sub 2+d} structure were investigated. • New crystal structures for Nd–Ti complexes are determined. • Distortions in the crystal structure were observed as a result of Boron shortage. • Prominent change in electronic properties of the samples with the increasing Nd amount. - Abstract: Neodymium substituted TiBO{sub 3} samples were investigated according to their crystal, electric and electronic properties. Studies were conducted by X-ray absorption fine structure spectroscopy (XAFS) technique for the samples with different substitutions in the preparation processes. To achieve better crystal structure results during the study, XRDmore » pattern results were supported by extended-XAFS (EXAFS) analysis. The electronic structure analysis were studied by X-ray absorption near-edge structure spectroscopy (XANES) measurements at the room temperatures. Due to the substituted Nd atoms, prominent changes in crystal structure, new crystal geometries for Nd-Ti complexes, phase transitions in the crystals structure were detected according to the increasing Nd substitutions in the samples. In the entire stages of the substitutions, Nd atoms were observed as governing the whole phenomena due to their dominant characteristics in Ti geometries. Besides, electrical resistivity decay was determined in the materials with the increasing amount of Nd substitution.« less

Experimental and theoretical studies of dipole and quadrupole contributions to the vanadium K-edge XANES for VOPO4.2H2O xerogel

NASA Astrophysics Data System (ADS)

Poumellec, B.; Kraizman, V.; Aifa, Y.; Cortès, R.; Novakovich, A.; Vedrinskii, R.

1998-09-01

Angular dependence of the vanadium K-edge x-ray appearance near-edge structure (XANES) for the VOPO4.2H2O xerogel is thoroughly studied both experimentally and theoretically. The main attention is paid to the pre-edge fine structure (PEFS) of the spectra which was shown earlier to be a useful tool for the atomic short order investigations. Good quantitative agreement between theory and experiment obtained for both dipole and quadrupole contributions to the spectra proves validity of the calculation method developed and enables us to ascertain the nature of all the features in the PEFS's. The p-d mixture effect due to distortion of the central coordination octahedron and the quadrupole transitions are proved to be the only mechanisms responsible for the PEFS formation in the case considered. We show that in order to achieve quantitative agreement between experimental and theoretical spectra, it is necessary to include the effect of atomic vibrations, which makes the forbidden transitions to molecular orbitals of the central octahedron (MOCO's) dipole allowed, and to take into account deviation of the crystal layers from the substrate plane, which is not a single crystal but a texture.

Congenital amusia: a cognitive disorder limited to resolved harmonics and with no peripheral basis.

PubMed

Cousineau, Marion; Oxenham, Andrew J; Peretz, Isabelle

2015-01-01

Pitch plays a fundamental role in audition, from speech and music perception to auditory scene analysis. Congenital amusia is a neurogenetic disorder that appears to affect primarily pitch and melody perception. Pitch is normally conveyed by the spectro-temporal fine structure of low harmonics, but some pitch information is available in the temporal envelope produced by the interactions of higher harmonics. Using 10 amusic subjects and 10 matched controls, we tested the hypothesis that amusics suffer exclusively from impaired processing of spectro-temporal fine structure. We also tested whether the inability of amusics to process acoustic temporal fine structure extends beyond pitch by measuring sensitivity to interaural time differences, which also rely on temporal fine structure. Further tests were carried out on basic intensity and spectral resolution. As expected, pitch perception based on spectro-temporal fine structure was impaired in amusics; however, no significant deficits were observed in amusics' ability to perceive the pitch conveyed via temporal-envelope cues. Sensitivity to interaural time differences was also not significantly different between the amusic and control groups, ruling out deficits in the peripheral coding of temporal fine structure. Finally, no significant differences in intensity or spectral resolution were found between the amusic and control groups. The results demonstrate a pitch-specific deficit in fine spectro-temporal information processing in amusia that seems unrelated to temporal or spectral coding in the auditory periphery. These results are consistent with the view that there are distinct mechanisms dedicated to processing resolved and unresolved harmonics in the general population, the former being altered in congenital amusia while the latter is spared. Copyright © 2014 Elsevier Ltd. All rights reserved.

Insights into the effect of iron and cobalt doping on the structure of nanosized ZnO.

PubMed

Giuli, Gabriele; Trapananti, Angela; Mueller, Franziska; Bresser, Dominic; d'Acapito, Francesco; Passerini, Stefano

2015-10-05

Here we report an in-depth structural characterization of transition metal-doped zinc oxide nanoparticles that have recently been used as anode materials for Li-ion batteries. Structural refinement of powder X-ray diffraction (XRD) data allowed the determination of small though reproducible changes in the unit cell dimensions of four ZnO samples (wurtzite structure) prepared with different dopants or different synthesis conditions. Moreover, large variations of the full width at half-maximum of the XRD reflections indicate that the crystallinity of the samples decreases in the order ZnO, Zn0.9Co0.1O, Zn0.9Fe0.1O/C, and Zn0.9Fe0.1O (the crystallite sizes as determined by Williamson-Hall plots are 42, 29, 15, and 13 nm, respectively). X-ray absorption spectroscopy data indicate that Co is divalent, whereas Fe is purely trivalent in Zn0.9Fe0.1O and 95% trivalent (Fe(3+)/(Fe(3+) + Fe(2+)) ratio = 0.95) in Zn0.9Fe0.1O/C. The aliovalent substitution of Fe(3+) for Zn(2+) implies the formation of local defects around Fe(3+) such as cationic vacancies or interstitial oxygen for charge balance. The EXAFS (extended X-ray absorption fine structure) data, besides providing local Fe-O and Co-O bond distances, are consistent with a large amount of charge-compensating defects. The Co-doped sample displays similar EXAFS features to those of pure ZnO, suggesting the absence of a large concentration of defects as found in the Fe-doped samples. These results are of substantial importance for understanding and elucidating the modified electrochemical lithiation mechanism by introducing transition metal dopants into the ZnO structure for the application as lithium-ion anode material.

[Fine stereo structure for natural organic molecules, a preliminary study. II. Melting point influenced by structure factors].

PubMed

Lu, Y; Zheng, Q; Lu, D; Ma, P; Chen, Y

1995-06-01

Crystal structures of two compounds from Tripterygium wilfordii Hook f. have been determined by X-ray diffraction method. Structure factors influencing melting point of solid state have been analysed. Crystal class (or space group), recrystallization solvent, force between molecules and fine changes of molecular structures will all cause melting point changes of crystal substance.

Laser marking on soda-lime glass by laser-induced backside wet etching with two-beam interference

NASA Astrophysics Data System (ADS)

Nakazumi, Tomoka; Sato, Tadatake; Narazaki, Aiko; Niino, Hiroyuki

2016-09-01

For crack-free marking of glass materials, a beam-scanning laser-induced backside wet etching (LIBWE) process by a beam spot with a fine periodic structure was examined. The fine periodic structure was produced within a beam spot by means of a Mach-Zehnder interferometer incorporated to the optical setup for the beam-scanning LIBWE. A fine structure with a period of 9 µm was observed within the microstructures with a diameter of ca. 40 µm fabricated by a laser shot under double-beam irradiation, and they could be homogeneously fabricated within an area of 800  ×  800 µm. The area filled with the microstructures, including fine periodic structures, could be observed in high contrast under a diffuse, on-axis illumination that was used in commercial QR code readers.

3D WHOLE-PROMINENCE FINE STRUCTURE MODELING

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

Gunár, Stanislav; Mackay, Duncan H.

2015-04-20

We present the first 3D whole-prominence fine structure model. The model combines a 3D magnetic field configuration of an entire prominence obtained from nonlinear force-free field simulations, with a detailed description of the prominence plasma. The plasma is located in magnetic dips in hydrostatic equilibrium and is distributed along multiple fine structures within the 3D magnetic model. Through the use of a novel radiative transfer visualization technique for the Hα line such plasma-loaded magnetic field model produces synthetic images of the modeled prominence comparable with high-resolution observations. This allows us for the first time to use a single technique tomore » consistently study, in both emission on the limb and absorption against the solar disk, the fine structures of prominences/filaments produced by a magnetic field model.« less

Changes in the near edge X-ray absorption fine structure of hybrid organic-inorganic resists upon exposure.

PubMed

Fallica, Roberto; Watts, Benjamin; Roesner, Benedikt; Della Giustina, Gioia; Brigo, Laura; Brusatin, Giovanna; Ekinci, Yasin

2018-06-14

We report on the near edge X-ray absorption fine structure (NEXAFS) spectroscopy of hybrid organic-inorganic resists. These materials are nonchemically amplified systems based on Si, Zr, and Ti oxides, synthesized from organically modified precursors and transition metal alkoxides by a sol-gel route and designed for ultraviolet, extreme ultraviolet and electron beam lithography. The experiments were conducted using a scanning transmission X-ray microscope (STXM) which combines high spatial-resolution microscopy and NEXAFS spectroscopy. The absorption spectra were collected in the proximity of the carbon edge (~ 290 eV) before and after in situ exposure, enabling the measurement of a significant photo-induced degradation of the organic group (phenyl or methyl methacrylate, respectively), the degree of which depends on the configuration of the ligand. Photo-induced degradation was more efficient in the resist synthesized with pendant phenyl substituents than it was in the case of systems based on bridging phenyl groups. The degradation of the methyl methacrylate group was relatively efficient, with about half of the initial ligands dissociated upon exposure. Our data reveal that the such dissociation can produce different outcomes, depending on the structural configuration. While all the organic groups were expected to detach and desorb from the resist in their entirety, a sizeable amount of them remain and form undesired byproducts such as alkene chains. In the framework of the materials synthesis and engineering through specific building blocks, these results provide a deeper insight into the photochemistry of resists, in particular for extreme ultraviolet lithography. © 2018 IOP Publishing Ltd.

Sub-Millimeter Heterodyne Focal-Plane Arrays for High-Resolution Astronomical Spectroscopy

NASA Astrophysics Data System (ADS)

Goldsmith, Paul F.

2017-09-01

Spectral lines are vital tools for astronomy, particularly for studying the interstellar medium, which is widely distributed throughout the volume of our Milky Way and of other galaxies. Broadband emissions, including synchrotron, free-free, and thermal dust emissions give astronomers important information. However, they do not give information about the motions of, for example, interstellar clouds, the filamentary structures found within them, star-forming dense cores, and photon-dominated regions energized by massive young stars. For study of the interstellar medium, spectral lines at sub-millimeter wavelengths are particularly important, for two reasons. First, they offer the unique ability to observe a variety of important molecules, atoms, and ions, which are the most important gas coolants (fine-structure lines of ionized and neutral carbon, neutral oxygen), probes of physical conditions (high-J transitions of CO, HF, fine-structure lines of ionized nitrogen), and of obvious biogenic importance (H2O). In addition, high-resolution observations of spectral lines offer the unique ability to disentangle the complex motions within these regions and, in some cases, to determine their arrangement along the line of sight. To accomplish this, spectral resolution high enough to resolve the spectral lines of interest is required. We can measure the resolution of the spectrometer in terms of its resolution, R = f/δf, where f is the rest frequency of the line, and δJ is the frequency resolution of the spectrometer. More-active sources can be advantageously studied with R = 3 × 10^5, while more quiescent sources require R as high as 10^7.

Lamb shift and fine structure of n = 2 in /sup 35/C1 XVI

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

Berry, H.G.; DeSerio, R.; Livingston, A.E.

We have measured the wavelengths of the 2s /sup 3/S/sub 1/-2p /sup 3/P/sub 2/ and 2s /sup 3/S/sub 1/ -- 2p /sup 3/P/sub 0/ transitions in C1 XVI to be 613.825 +- 0.013 A and 705.854 +- 0.076 A. Our precision is sufficient to provide measurements of the 2s/sub 1/2/-2p/sub 3/2/ Lamb shifts to an accuracy of +- 0.3% and to test quantum electrodynamics (QED) theory in the strong-field region. We compres our results with the one-electron QED theories of Mohr and Erickson and discuss the accuracy of calculations of electron correlation in two-electron atoms.

Wavelet signatures of K-splitting of the Isoscalar Giant Quadrupole Resonance in deformed nuclei from high-resolution (p,p‧) scattering off 146, 148, 150Nd

NASA Astrophysics Data System (ADS)

Kureba, C. O.; Buthelezi, Z.; Carter, J.; Cooper, G. R. J.; Fearick, R. W.; Förtsch, S. V.; Jingo, M.; Kleinig, W.; Krugmann, A.; Krumbolz, A. M.; Kvasil, J.; Mabiala, J.; Mira, J. P.; Nesterenko, V. O.; von Neumann-Cosel, P.; Neveling, R.; Papka, P.; Reinhard, P.-G.; Richter, A.; Sideras-Haddad, E.; Smit, F. D.; Steyn, G. F.; Swartz, J. A.; Tamii, A.; Usman, I. T.

2018-04-01

The phenomenon of fine structure of the Isoscalar Giant Quadrupole Resonance (ISGQR) has been studied with high energy-resolution proton inelastic scattering at iThemba LABS in the chain of stable even-mass Nd isotopes covering the transition from spherical to deformed ground states. A wavelet analysis of the background-subtracted spectra in the deformed 146, 148, 150Nd isotopes reveals characteristic scales in correspondence with scales obtained from a Skyrme RPA calculation using the SVmas10 parameterization. A semblance analysis shows that these scales arise from the energy shift between the main fragments of the K = 0 , 1 and K = 2 components.

Variations in Grain-Scale Sediment Structure in a Gravel-Bed Channel as a Function of Fine Sediment Content and Morphological Location

NASA Astrophysics Data System (ADS)

Voepel, H.; Ahmed, S. I.; Hodge, R. A.; Leyland, J.; Sear, D. A.

2016-12-01

One of the major causes of uncertainty in estimates of bedload transport rates in gravel bed rivers is a lack of understanding of grain-scale sediment structure, and the impact that this structure has on bed stability. Furthermore, grain-scale structure varies throughout a channel and over time in ways that have not been fully quantified. Our research aims to quantify variations in sediment structure caused by two key variables; morphological location within a riffle-pool sequence (reflecting variation in hydraulic conditions), and the fine sediment content of the gravel bed (sand and clay). We report results from a series of flume experiments in which we water-worked a gravel bed with a riffle-pool morphology. The fine sediment content of the bed was incrementally increased over a series of runs from gravel only, to coarse sand, fine sand and two concentrations of clay. After each experimental run intact samples of the bed at different locations were extracted and the internal structure of the bed was measured using non-destructive, micro-focus X-ray computed tomography (CT) imaging. The CT images were processed to measure the properties of individual grains, including volume, center of mass, dimension, and contact points. From these data we were able to quantify the sediment structure through metrics including measurement of grain pivot angles, grain exposure and protrusion, and vertical variation in bed porosity and fine sediment content. Metrics derived from the CT data were verified using data from grain counts and tilt-table measurements on co-located samples. Comparison of the metrics across different morphological locations and fine sediment content demonstrates how these factors affect the bed structure. These results have implications for the development of sediment entrainment models for gravel bed rivers.

Fine Structure of Anomalously Intense Pulses of PSR J0814+7429 Radio Emission in the Decameter Range

NASA Astrophysics Data System (ADS)

Skoryk, A. O.; Ulyanov, O. M.; Zakharenko, V. V.; Shevtsova, A. I.; Vasylieva, I. Y.; Plakhov, M. S.; Kravtsov, I. M.

2017-06-01

Purpose: The fine structure of the anomalously intense pulses of PSR J0814+7429 (B0809+74) has been studied. The pulsar radio emission fine structure is investigated to determine its parameters in the lowest part of spectrum available for groundbased observations. Design/methodology/approach: The scattering measure in the interstellar plasma have been estimated using the spectral and correlation analyses of pulsar data recorded by the UTR-2 radio telescope. Results: Two characteristic time scales of the anomalously intense pulses fine structure of the PSR J0814+7429 radio emission have been found. The strongest pulses of this pulsar in the decameter range can have a duration of about t 2÷3 ms. These pulses are emitted in short series. In some cases, they are emitted over the low-intensity plateau consisting of the “long” subpulse component. Conclusions: The narrowest correlation scale of pulsar J0814+7429 radio emission corresponds to the doubled scattering time constant of the interstellar medium impulse response. Broader scale of the fine structure of its radio emission can be explained by the radiation of a short series of narrow pulses or relatively broad pulses inside this pulsar magnetosphere.

Chimaeric sounds reveal dichotomies in auditory perception

PubMed Central

Smith, Zachary M.; Delgutte, Bertrand; Oxenham, Andrew J.

2008-01-01

By Fourier's theorem1, signals can be decomposed into a sum of sinusoids of different frequencies. This is especially relevant for hearing, because the inner ear performs a form of mechanical Fourier transform by mapping frequencies along the length of the cochlear partition. An alternative signal decomposition, originated by Hilbert2, is to factor a signal into the product of a slowly varying envelope and a rapidly varying fine time structure. Neurons in the auditory brainstem3–6 sensitive to these features have been found in mammalian physiological studies. To investigate the relative perceptual importance of envelope and fine structure, we synthesized stimuli that we call ‘auditory chimaeras’, which have the envelope of one sound and the fine structure of another. Here we show that the envelope is most important for speech reception, and the fine structure is most important for pitch perception and sound localization. When the two features are in conflict, the sound of speech is heard at a location determined by the fine structure, but the words are identified according to the envelope. This finding reveals a possible acoustic basis for the hypothesized ‘what’ and ‘where’ pathways in the auditory cortex7–10. PMID:11882898

The Effect of Quantum-Mechanical Interference on Precise Measurements of the n = 2 Triplet P Fine Structure of Helium

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

Marsman, A.; Horbatsch, M.; Hessels, E. A., E-mail: hessels@yorku.ca

2015-09-15

For many decades, improvements in both theory and experiment of the fine structure of the n = 2 triplet P levels of helium have allowed for an increasingly precise determination of the fine-structure constant. Recently, it has been observed that quantum-mechanical interference between neighboring resonances can cause significant shifts, even if such neighboring resonances are separated by thousands of natural widths. The shifts depend in detail on the experimental method used for the measurement, as well as the specific experimental parameters employed. Here, we review how these shifts apply for the most precise measurements of the helium 2{sup 3}P fine-structuremore » intervals.« less

Sample-based synthesis of two-scale structures with anisotropy

DOE PAGES

Liu, Xingchen; Shapiro, Vadim

2017-05-19

A vast majority of natural or synthetic materials are characterized by their anisotropic properties, such as stiffness. Such anisotropy is effected by the spatial distribution of the fine-scale structure and/or anisotropy of the constituent phases at a finer scale. In design, proper control of the anisotropy may greatly enhance the efficiency and performance of synthesized structures. In this paper, we propose a sample-based two-scale structure synthesis approach that explicitly controls anisotropic effective material properties of the structure on the coarse scale by orienting sampled material neighborhoods at the fine scale. We first characterize the non-uniform orientations distribution of the samplemore » structure by showing that the principal axes of an orthotropic material may be determined by the eigenvalue decomposition of its effective stiffness tensor. Such effective stiffness tensors can be efficiently estimated based on the two-point correlation functions of the fine-scale structures. Then we synthesize the two-scale structure by rotating fine-scale structures from the sample to follow a given target orientation field. Finally, the effectiveness of the proposed approach is demonstrated through examples in both 2D and 3D.« less

Sample-based synthesis of two-scale structures with anisotropy

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

Liu, Xingchen; Shapiro, Vadim

A vast majority of natural or synthetic materials are characterized by their anisotropic properties, such as stiffness. Such anisotropy is effected by the spatial distribution of the fine-scale structure and/or anisotropy of the constituent phases at a finer scale. In design, proper control of the anisotropy may greatly enhance the efficiency and performance of synthesized structures. In this paper, we propose a sample-based two-scale structure synthesis approach that explicitly controls anisotropic effective material properties of the structure on the coarse scale by orienting sampled material neighborhoods at the fine scale. We first characterize the non-uniform orientations distribution of the samplemore » structure by showing that the principal axes of an orthotropic material may be determined by the eigenvalue decomposition of its effective stiffness tensor. Such effective stiffness tensors can be efficiently estimated based on the two-point correlation functions of the fine-scale structures. Then we synthesize the two-scale structure by rotating fine-scale structures from the sample to follow a given target orientation field. Finally, the effectiveness of the proposed approach is demonstrated through examples in both 2D and 3D.« less

Coupling fine-scale root and canopy structure using ground-based remote sensing

Treesearch

Brady Hardiman; Christopher Gough; John Butnor; Gil Bohrer; Matteo Detto; Peter Curtis

2017-01-01

Ecosystem physical structure, defined by the quantity and spatial distribution of biomass, influences a range of ecosystem functions. Remote sensing tools permit the non-destructive characterization of canopy and root features, potentially providing opportunities to link above- and belowground structure at fine spatial resolution in...

Formation of fine {gamma} grain structure through fine {alpha}{sub 2}/{gamma} lamellar structure in Ti-rich TiAl alloy

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

Kumagai, T.; Abe, E.; Nakamura, M.

1997-12-31

Microstructural development of an extremely fine {alpha}{sub 2}-Ti{sub 32}Al/{gamma}-TiAl lamellar structure, which was formed by ice water quenching after solution-treatment in a high-temperature {alpha}-Ti phase field for a long period of time, was examined during isothermal treatment. In an as-quenched Ti-48at.%Al alloy, the massively transformed {gamma} ({gamma}{sub m}) and untransformed (meaning massively untransformed) fine {alpha}{sub 2}/{gamma} lamellar regions were observed. Fine {gamma} grains, which were similar to {gamma}{sub m}, were generated both within the fine {alpha}{sub 2}/{gamma} lamellae and at the boundary area between the {gamma}{sub m} and the fine {alpha}{sub 2}/{gamma} lamellar regions by aging at low-temperature (1,173 K)more » for a short time (180s). Further aging (1.8ks) caused the coarsening of these newly generated fine {gamma} grains. On the other hand, the coarsening of the {gamma} grains occurred by a high-temperature (1,323 K) aging treatment even for 180s. Fine {alpha}{sub 2} plates and particles, which were aligned to a particular direction, were observed in the {gamma} grain interiors, indicating that the newly generated {gamma} grains grew at the expense of the fine {alpha}{sub 2}/{gamma} lamellae. It can be considered that the {gamma} grain formation through the fine {alpha}{sub 2}/{gamma} lamellae is closely related to the {alpha}{sub 2}{yields}{gamma} reaction of the {alpha}{sub 2} plates sandwiched by the {gamma} plates, and needs the fast heating rate enough to overcome the {alpha}{sub 2}/{gamma}{yields}{gamma}/{gamma} lamellae reaction.« less

Characterization of the Navy Fan Channel-to-Lobe Transition: Geomorphology, Gradient, and Structure Imaged through High-Resolution AUV Bathymetry

NASA Astrophysics Data System (ADS)

Carvajal, C.; Paull, C. K.; Caress, D. W.; Anderson, K.; Lundsten, E. M.; Gwiazda, R.; Fildani, A.; Dykstra, M.; McGann, M.; Maier, K. L.; Herguera, J. C.

2016-12-01

Channel to lobe transition zones (CLTZ) are elusive sectors of the seafloor. They record complex interactions between sediment-gravity flows, flow confinement, and gradient that can result in contrasting geomorphologies. If present, structural controls can add additional intricacies. We illustrate such complexities in the Navy Fan CLTZ offshore California/Mexico using AUV-collected high-resolution (1x1x0.25 m) bathymetry and chirp profiles. The AUV bathymetry images the fine scale details of the seafloor, otherwise unresolved in surface-ship-mounted multibeam bathymetry. Three morphological areas standout that in a direction transverse to sediment transport are: 1) An unconfined area with variable but overall steep gradients (0.5o-1.7o), and considerable erosion shown by numerous large scours that truncate underlying strata. These scours are elongate (<500x180 m), deep (<18 m), asymmetric (steeper proximally), and more prominent along steeper gradients; 2) An area of moderate confinement along a smoother, gentler gradient (0.2o-0.5o; 0.9o locally). This area is 8 km long with a channel (WxD: 233x11 m) that transitions basinwards to low confinement (WxD: 1000x4 m); and 3) An area with an escarpment (<25 m high, <19o) and ridge of the San Clemente Fault. We hypothesize that the erosional morphologies of the unconfined areas reflect swifter turbidity currents due to high gradients, which resulted from relief along the San Clemente Fault and probably from differential seafloor aggradation. In the moderate confinement area, the smoother and gentler seafloor may be related to more efficient sediment dispersal able to transfer/deposit sediment to heal structural relief (though not completely) while avoiding significant local aggradation, hence preventing major gradient build up. In the faulted area, the steep and prominent structure reroutes the sediments. The findings of this study have broad application to any seafloor areas with rapid changes of gradient.

Fine Structure of Trious and Excitons in Single GaAs Quantum Dots

DTIC Science & Technology

2002-08-30

RAPID COMMUNICATIONS PHYSICAL REVIEW B 66, 081310~R! ~2002!Fine structure of trions and excitons in single GaAs quantum dots J. G. Tischler, A. S ...fine structure of single localized excitons and trions. DOI: 10.1103/PhysRevB.66.081310 PACS number~ s !: 78.67.Hc, 73.21.2b, 71.35.2yAlthough the...AUTHOR( S ) 5d. PROJECT NUMBER 5e. TASK NUMBER 5f. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAME( S ) AND ADDRESS(ES) Naval Research Laboratory

The High Redshift Universe Seen Through the Eyes of ALMA

NASA Astrophysics Data System (ADS)

Wiklind, Tommy

2012-07-01

The Atacama Large Millimeter/submm Array (ALMA) is an interferometric telescope currently under construction on the Chajnantor Plateau in northern Chile. It is situated at an altitude of 5000m, in one of the driest places in the world. The combination of the meteorological conditions, increased total collecting area and the use of state-of-the-art receivers means that the fully operational ALMA is a factor 10-1000 more sensitive than existing facilities, depending on the wavelength. When completed in 2013, ALMA will consists of 66 antennas, with maximum baselines of up to 15 km and it will be able to observe at wavelengths from 10 millimeter to ~350micron. ALMA will be able to provide an angular resolution of ~0.05 arcseconds. ALMA is still under construction, but has started producing science in an 'Early Science' phase. The goal with ALMA has from the beginning been to provide very high sensitivity as well as an angular resolution matching that of space based optical observatories such as the HST. One of three main drivers when designing ALMA has been the ability to study the high redshift universe. The main reason behind this is that almost half of the integrated background radiation comes from the far-infrared wavelength regime. This emission is interpreted as originating from dust re-radiated stellar emission in high redshift galaxies. Interstellar dust is almost invariably associated with molecular gas, that can be studied using molecular rotational transitions. The shape of the dust spectral energy distribution ensures that the observed flux at a fixed wavelength long-ward of the far-infrared peak (about 100micron) remains more or less constant over a redshift range z=1-10. This aspect makes dust continuum emission extraordinarily important for studying galaxies and Active Galactic Nuclei at high redshift. Through observations of line emission from molecular transitions it is possible to study the associated molecular gas distribution and its kinematics. The large spectral coverage of ALMA makes it possible to observe the most common molecules, such as CO, at any redshift. The neutral and ionized gas components can be studied through several atomic fine-structure lines. For instance, the CII fine-structure line at a rest-wavelength of 158micron is one of the most important cooling agents for ionized gas. It can be targeted with ALMA over a large fraction of cosmic history. Other atomic fine-structure lines can provide important data for studying the emergence of super-massive black holes at high redshift. In this presentation I will discuss the potential of ALMA for studying the early universe, the potential synergies with current and planned space mission (e.g. HST and JWST) and, hopefully, some results from the Early Science observations.

Stability and Interaction of Coherent Structure in Supersonic Reactive Wakes

NASA Technical Reports Server (NTRS)

Menon, Suresh

1983-01-01

A theoretical formulation and analysis is presented for a study of the stability and interaction of coherent structure in reacting free shear layers. The physical problem under investigation is a premixed hydrogen-oxygen reacting shear layer in the wake of a thin flat plate. The coherent structure is modeled as a periodic disturbance and its stability is determined by the application of linearized hydrodynamic stability theory which results in a generalized eigenvalue problem for reactive flows. Detailed stability analysis of the reactive wake for neutral, symmetrical and antisymmetrical disturbance is presented. Reactive stability criteria is shown to be quite different from classical non-reactive stability. The interaction between the mean flow, coherent structure and fine-scale turbulence is theoretically formulated using the von-Kaman integral technique. Both time-averaging and conditional phase averaging are necessary to separate the three types of motion. The resulting integro-differential equations can then be solved subject to initial conditions with appropriate shape functions. In the laminar flow transition region of interest, the spatial interaction between the mean motion and coherent structure is calculated for both non-reactive and reactive conditions and compared with experimental data wherever available. The fine-scale turbulent motion determined by the application of integral analysis to the fluctuation equations. Since at present this turbulence model is still untested, turbulence is modeled in the interaction problem by a simple algebraic eddy viscosity model. The applicability of the integral turbulence model formulated here is studied parametrically by integrating these equations for the simple case of self-similar mean motion with assumed shape functions. The effect of the motion of the coherent structure is studied and very good agreement is obtained with previous experimental and theoretical works for non-reactive flow. For the reactive case, lack of experimental data made direct comparison difficult. It was determined that the growth rate of the disturbance amplitude is lower for reactive case. The results indicate that the reactive flow stability is in qualitative agreement with experimental observation.

Monte Carlo Simulations of Electron Energy-Loss Spectra with the Addition of Fine Structure from Density Functional Theory Calculations.

PubMed

Attarian Shandiz, Mohammad; Guinel, Maxime J-F; Ahmadi, Majid; Gauvin, Raynald

2016-02-01

A new approach is presented to introduce the fine structure of core-loss excitations into the electron energy-loss spectra of ionization edges by Monte Carlo simulations based on an optical oscillator model. The optical oscillator strength is refined using the calculated electron energy-loss near-edge structure by density functional theory calculations. This approach can predict the effects of multiple scattering and thickness on the fine structure of ionization edges. In addition, effects of the fitting range for background removal and the integration range under the ionization edge on signal-to-noise ratio are investigated.

A simulation for gravity fine structure recovery from high-low GRAVSAT SST data

NASA Technical Reports Server (NTRS)

Estes, R. H.; Lancaster, E. R.

1976-01-01

Covariance error analysis techniques were applied to investigate estimation strategies for the high-low SST mission for accurate local recovery of gravitational fine structure, considering the aliasing effects of unsolved for parameters. Surface density blocks of 5 deg x 5 deg and 2 1/2 deg x 2 1/2 deg resolution were utilized to represent the high order geopotential with the drag-free GRAVSAT configured in a nearly circular polar orbit at 250 km. altitude. GEOPAUSE and geosynchronous satellites were considered as high relay spacecraft. It is demonstrated that knowledge of gravitational fine structure can be significantly improved at 5 deg x 5 deg resolution using SST data from a high-low configuration with reasonably accurate orbits for the low GRAVSAT. The gravity fine structure recoverability of the high-low SST mission is compared with the low-low configuration and shown to be superior.

Revisiting place and temporal theories of pitch

PubMed Central

2014-01-01

The nature of pitch and its neural coding have been studied for over a century. A popular debate has revolved around the question of whether pitch is coded via “place” cues in the cochlea, or via timing cues in the auditory nerve. In the most recent incarnation of this debate, the role of temporal fine structure has been emphasized in conveying important pitch and speech information, particularly because the lack of temporal fine structure coding in cochlear implants might explain some of the difficulties faced by cochlear implant users in perceiving music and pitch contours in speech. In addition, some studies have postulated that hearing-impaired listeners may have a specific deficit related to processing temporal fine structure. This article reviews some of the recent literature surrounding the debate, and argues that much of the recent evidence suggesting the importance of temporal fine structure processing can also be accounted for using spectral (place) or temporal-envelope cues. PMID:25364292

Rotomagnetic coupling in fine-grained multiferroic BiFe O3 : Theory and experiment

NASA Astrophysics Data System (ADS)

Morozovska, Anna N.; Eliseev, Eugene A.; Glinchuk, Maya D.; Fesenko, Olena M.; Shvartsman, Vladimir V.; Gopalan, Venkatraman; Silibin, Maxim V.; Karpinsky, Dmitry V.

2018-04-01

Using Landau-Ginzburg-Devonshire (LGD) theory for BiFe O3 dense fine-grained ceramics with quasispherical grains and nanosized intergrain spaces enriched by elastic defects, we calculated a surprisingly strong size-induced increase in the antiferromagnetic transition temperature caused by the joint action of rotomagnetic and magnetostrictive coupling. Notably, all parameters included in the LGD functional have been extracted from experiments, not assumed. Complementarily, we performed experiments for dense BiFe O3 ceramics, which revealed that the shift of the antiferromagnetic transition is to TN˜690 K instead of TN˜645 K for a single crystal. To explain the result theoretically, we consider the possibility of controlling the antiferromagnetic state of multiferroic BiFe O3 via biquadratic antiferrodistortive rotomagnetic, rotoelectric, magnetoelectric, and magnetostrictive couplings. According to our calculations, the highest contribution is the rotostriction contribution, while the magnetostrictive and electrostriction contributions appear smaller.

A Facile Method to Fabricate Double Gyroid as A Polymer Template for Nanohybrids

NASA Astrophysics Data System (ADS)

Wang, Hsiao-Fang; Ho, Rong-Ming

2015-03-01

Here, we suggest a facile method to acquire double gyroid (DG) phase from the self-assembly of chiral block copolymers (BCPs*), polystyrene- b-poly(L-lactide) (PS-PLLA). A wide region for the formation of DG can be found in the phase diagram of the BCPs*, suggesting that helical phase (H*) from the self-assembly of BCPs* can serve as a stepping stone for the formation of the DG due to an easy path for order-order transition from two-dimensional to three-dimensional (network) structure. Moreover, the order-order transition from metastable H* to stable DG can be expedited by blending the PS-PLLA with compatible entity. Moreover, PS-PLLA blends are prepared by using styrene oligomer (S) to fine-tune the morphologies of the blends at which the molecular weight ratio of the S and compatible PS block (r) is less than 0.1. Owing to the use of the low-molecular-weight oligomer, the increase of BCP chain mobility in the blends significantly reduces the transformation time for the order-order transition from H* to DG. Consequently, nanoporous gyroid SiO2 can be fabricated using hydrolyzed PS-PLLA blends as a template for sol-gel reaction followed by removal of the PS matrix.

Magnetostratigraphy, paleomagnetic correlation, and deformation of pleistocene deposits in the south central Puget Lowland, Washington

USGS Publications Warehouse

Hagstrum, J.T.; Booth, D.B.; Troost, K.G.; Blakely, R.J.

2002-01-01

Paleomagnetic results from Pleistocene sedimentary deposits in the central Puget Lowland indicate that the region has experienced widespread deformation within the last 780 kyr. Three oriented samples were collected from unaltered fine-grained sediments mostly at sea level to determine the magnetostratigraphy at 83 sites. Of these, 47 have normal, 18 have reversed, and 18 have transitional (8 localities) polarities. Records of reversed- to normal-polarity transitions of the geomagnetic field were found in thick sections of silt near the eastern end of the Tacoma Narrows Bridge, and again at Wingehaven Park near the northern tip of Vashon Island. The transitional horizons, probably related to the Bruhnes-Matuyama reversal, apparently fall between previously dated Pleistocene sediments at the Puyallup Valley type section (all reversed-polarity) to the south and the Whidbey Island type section (all normal-polarity) to the north. The samples, in general, are of sufficient quality to record paleosecular variation (PSV) of the geomagnetic field, and a statistical technique is used to correlate horizons with significant agreement in their paleomagnetic directions. Our data are consistent with the broad structures of the Seattle uplift inferred at depth from seismic reflection, gravity, and aeromagnetic profiles, but the magnitude of vertical adjustments is greatly subdued in the Pleistocene deposits.

Usage of Crushed Concrete Fines in Decorative Concrete

NASA Astrophysics Data System (ADS)

Pilipenko, Anton; Bazhenova, Sofia

2017-10-01

The article is devoted to the questions of usage of crushed concrete fines from concrete scrap for the production of high-quality decorative composite materials based on mixed binder. The main problem in the application of crushed concrete in the manufacture of decorative concrete products is extremely low decorative properties of crushed concrete fines itself, as well as concrete products based on them. However, crushed concrete fines could have a positive impact on the structure of the concrete matrix and could improve the environmental and economic characteristics of the concrete products. Dust fraction of crushed concrete fines contains non-hydrated cement grains, which can be opened in screening process due to the low strength of the contact zone between the hydrated and non-hydrated cement. In addition, the screening process could increase activity of the crushed concrete fines, so it can be used as a fine aggregate and filler for concrete mixes. Previous studies have shown that the effect of the usage of the crushed concrete fines is small and does not allow to obtain concrete products with high strength. However, it is possible to improve the efficiency of the crushed concrete fines as a filler due to the complex of measures prior to mixing. Such measures may include a preliminary mechanochemical activation of the binder (cement binder, iron oxide pigment, silica fume and crushed concrete fines), as well as the usage of polycarboxylate superplasticizers. The development of specific surface area of activated crushed concrete fines ensures strong adhesion between grains of binder and filler during the formation of cement stone matrix. The particle size distribution of the crushed concrete fines could achieve the densest structure of cement stone matrix and improve its resistance to environmental effects. The authors examined the mechanisms of structure of concrete products with crushed concrete fines as a filler. The results of studies of the properties of the crushed concrete fines were provided. It is shown that the admixture of the crushed concrete fines has little effect on the colour characteristics of the decorative concrete products. The preferred options to improve the surfaces of decorative concrete are also proposed.

Denitrification in a large river: consideration of geomorphic controls on microbial activity and community structure.

PubMed

Tatariw, Corianne; Chapman, Elise L; Sponseller, Ryan A; Mortazavi, Behzad; Edmonds, Jennifer W

2013-10-01

Ecological theory argues that the controls over ecosystem processes are structured hierarchically, with broader-scale drivers acting as constraints over the interactions and dynamics at nested levels of organization. In river ecosystems, these interactions may arise from broadscale variation in channel form that directly shapes benthic habitat structure and indirectly constrains resource supply and biological activity within individual reaches. To evaluate these interactions, we identified sediment characteristics, water chemistry, and denitrifier community structure as factors influencing benthic denitrification rates in a sixth-order river that flows through two physiographic provinces and the transitional zone between them, each with distinct geomorphological properties. We found that denitrification rates tracked spatial changes in sediment characteristics and varied seasonally with expected trends in stream primary production. Highest rates were observed during the spring and summer seasons in the physiographic province dominated by fine-grained sediments, illustrating how large-scale changes in river structure can constrain the location of denitrification hotspots. In addition, nirS and nirK community structure each responded differently to variation in channel form, possibly due to changes in dissolved oxygen and organic matter supply. This shift in denitrifier community structure coincident with higher rates of N removal via denitrification suggests that microbial community structure may influence biogeochemical processes.

A study of the nature of the emission centres and mechanisms of radiative recombination in semi-insulating GaAs crystals (in English)

NASA Astrophysics Data System (ADS)

Komarov, V. G.; Motsnyi, F. V.; Motsnyi, V. F.; Zinets, O. S.

The low temperature photoluminescence spectra of semi-insulating GaAs crystals grown by Czochralski method at different technological conditions have been studied. One of the main background impurities in such materials is carbon. The traditional high temperature annealing of semi-insulating GaAs wafers significantly aggravates their structure perfection because near the surface the creation of conductive layers with the thickness of several microns takes place. The fine structure of the bands of 1.514 and 1.490 eV has been registered. This structure caused by a) polariton emission from upper and low polariton branches; b) radiative recombination of free holes on shallow neutral donors (D^0, h); c) radiative recombination of excitons bound to shallow neutral donors (D^0, X) and to shallow carbon acceptors (C^0_{As}, X); d) excitons bound to the point structure defects (d, X); e) electron transitions between the conduction band and shallow neutral carbon acceptor; f) the electron transitions between donor-acceptor pairs in which carbon and possibly zinc are acceptors in the ground 1S_{3/2} state. The lux-intensity dependencies of the polariton emission from upper polariton branch and photoluminescence of (D^0, h), (C^0_{As}, X), (d, X) complexes are in good agreement with the theory. It is shown that one of the best available semi-insulating GaAs materials is a new commercial AGCP-5V material which differs from others by considerable concentration of shallow donors and new acceptors alongside of the known shallow C^0_{As} acceptor centres.

Reversible Aggregation Plays a Crucial Role on the Folding Landscape of p53 Core Domain

PubMed Central

Ishimaru, Daniella; Lima, Luis M. T. R.; Maia, Lenize F.; Lopez, Priscila M.; Ano Bom, Ana P.; Valente, Ana P.; Silva, Jerson L.

2004-01-01

The role of tumor suppressor protein p53 in cell cycle control depends on its flexible and partially unstructured conformation, which makes it crucial to understand its folding landscape. Here we report an intermediate structure of the core domain of the tumor suppressor protein p53 (p53C) during equilibrium and kinetic folding/unfolding transitions induced by guanidinium chloride. This partially folded structure was undetectable when investigated by intrinsic fluorescence. Indeed, the fluorescence data showed a simple two-state transition. On the other hand, analysis of far ultraviolet circular dichroism in 1.0 M guanidinium chloride demonstrated a high content of secondary structure, and the use of an extrinsic fluorescent probe, 4,4′-dianilino-1,1′ binaphthyl-5,5′-disulfonic acid, indicated an increase in exposure of the hydrophobic core at 1 M guanidinium chloride. This partially folded conformation of p53C was plagued by aggregation, as suggested by one-dimensional NMR and demonstrated by light-scattering and gel-filtration chromatography. Dissociation by high pressure of these aggregates reveals the reversibility of the process and that the aggregates have water-excluded cavities. Kinetic measurements show that the intermediate formed in a parallel reaction between unfolded and folded structures and that it is under fine energetic control. They are not only crucial to the folding pathway of p53C but may explain as well the vulnerability of p53C to undergo departure of the native to an inactive state, which makes the cell susceptible to malignant transformation. PMID:15298872

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

Joseph, Kitheri; Stennett, Martin C.; Hyatt, Neil C.

Bulk properties such as glass transition temperature, density and thermal expansion of iron phosphate glass compositions, with replacement of Cs by Ba, are investigated as a surrogate for the transmutation of 137Cs to 137Ba, relevant to the immobilisation of Cs in glass. These studies are required to establish the appropriate incorporation rate of 137Cs in iron phosphate glass. Density and glass transition temperature increases with the addition of BaO indicating the shrinkage and reticulation of the iron phosphate glass network. The average thermal expansion coefficient reduces from 19.8 × 10-6 K-1 to 13.4 × 10-6 K-1, when 25 wt. %more » of Cs2O was replaced by 25 wt. % of BaO in caesium loaded iron phosphate glass. In addition to the above bulk properties, the role of Ba as a network modifier in the structure of iron phosphate glass is examined using various spectroscopic techniques. The FeII content and average coordination number of iron in the glass network was estimated using Mössbauer spectroscopy. The FeII content in the un-doped iron phosphate glass and barium doped iron phosphate glasses was 20, 21 and 22 ± 1% respectively and the average Fe coordination varied from 5.3 ± 0.2 to 5.7 ± 0.2 with increasing Ba content. The atomic scale structure was further probed by Fe K-edge X-ray absorption spectroscopy. The average coordination number provided by extended X-ray absorption fine structure spectroscopy and X-ray absorption near edge structure was in good agreement with that given by the Mössbauer data.« less

Fluctuating Nonlinear Spring Model of Mechanical Deformation of Biological Particles

PubMed Central

Kononova, Olga; Snijder, Joost; Kholodov, Yaroslav; Marx, Kenneth A.; Wuite, Gijs J. L.; Roos, Wouter H.; Barsegov, Valeri

2016-01-01

The mechanical properties of virus capsids correlate with local conformational dynamics in the capsid structure. They also reflect the required stability needed to withstand high internal pressures generated upon genome loading and contribute to the success of important events in viral infectivity, such as capsid maturation, genome uncoating and receptor binding. The mechanical properties of biological nanoparticles are often determined from monitoring their dynamic deformations in Atomic Force Microscopy nanoindentation experiments; but a comprehensive theory describing the full range of observed deformation behaviors has not previously been described. We present a new theory for modeling dynamic deformations of biological nanoparticles, which considers the non-linear Hertzian deformation, resulting from an indenter-particle physical contact, and the bending of curved elements (beams) modeling the particle structure. The beams’ deformation beyond the critical point triggers a dynamic transition of the particle to the collapsed state. This extreme event is accompanied by a catastrophic force drop as observed in the experimental or simulated force (F)-deformation (X) spectra. The theory interprets fine features of the spectra, including the nonlinear components of the FX-curves, in terms of the Young’s moduli for Hertzian and bending deformations, and the structural damage dependent beams’ survival probability, in terms of the maximum strength and the cooperativity parameter. The theory is exemplified by successfully describing the deformation dynamics of natural nanoparticles through comparing theoretical curves with experimental force-deformation spectra for several virus particles. This approach provides a comprehensive description of the dynamic structural transitions in biological and artificial nanoparticles, which is essential for their optimal use in nanotechnology and nanomedicine applications. PMID:26821264

Effect of Bimodal Grain Size Distribution on Scatter in Toughness

NASA Astrophysics Data System (ADS)

Chakrabarti, Debalay; Strangwood, Martin; Davis, Claire

2009-04-01

Blunt-notch tests were performed at -160 °C to investigate the effect of a bimodal ferrite grain size distribution in steel on cleavage fracture toughness, by comparing local fracture stress values for heat-treated microstructures with uniformly fine, uniformly coarse, and bimodal grain structures. An analysis of fracture stress values indicates that bimodality can have a significant effect on toughness by generating high scatter in the fracture test results. Local cleavage fracture values were related to grain size distributions and it was shown that the largest grains in the microstructure, with an area percent greater than approximately 4 pct, gave rise to cleavage initiation. In the case of the bimodal grain size distribution, the large grains from both the “fine grain” and “coarse grain” population initiate cleavage; this spread in grain size values resulted in higher scatter in the fracture stress than in the unimodal distributions. The notch-bend test results have been used to explain the difference in scatter in the Charpy energies for the unimodal and bimodal ferrite grain size distributions of thermomechanically controlled rolled (TMCR) steel, in which the bimodal distribution showed higher scatter in the Charpy impact transition (IT) region.

Perceiving goals and actions in individuals with autism spectrum disorders.

PubMed

Zalla, Tiziana; Labruyère, Nelly; Georgieff, Nicolas

2013-10-01

In the present study, we investigated the ability to parse familiar sequences of action into meaningful events in young individuals with autism spectrum disorders (ASDs), as compared to young individuals with typical development (TD) and young individuals with moderate mental retardation or learning disabilities (MLDs). While viewing two videotaped movies, participants were requested to detect the boundary transitions between component events at both fine and coarse levels of the action hierarchical structure. Overall, reduced accuracy for event detection was found in participants with ASDs, relative to participants with TD, at both levels of action segmentation. The performance was, however, equally diminished in participants with ASDs and MLDs under the course-grained segmentation suggesting that difficulties to detect fine-grained events in ASDs cannot be explained by a general intellectual dysfunction. Reduced accuracy for event detection was related to diminished event recall, memory for event sequence and Theory of Mind abilities. We hypothesized that difficulties with event detection result from a deficit disrupting the on-line processing of kinematic features and physical changes of dynamic human actions. An impairment at the earlier stages of the event encoding process might contribute to deficits in episodic memory and social functioning in individuals with ASDs.

High-resolution structural studies of ultra-thin magnetic, transition metal overlayers and two-dimensional transition metal oxides using synchrotron radiation

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

Kellar, S.A.

This thesis report the surface-structure determination of three, ultra-thin magnetic transition-metal films, Fe/Au(100), Mn/Ni(100), and Mn/Cu(100) using Angle-Resolved Photoemission Extended Fine Structure (ARPEFS) and photoelectron holography. These structural studies are the first to use non-s initial states in the ARPEFS procedure. This thesis also reports an ARPEFS surface-structure determination of a two-dimensional transition-metal oxide, [(1 x 1)O/W(110)] x 12. The authors have analyzed the ARPFES signal from the Au 4f{sub 7/5} core level of the Au(1 ML)/Fe(15 ML)/Au(100) system. The analysis shows that the Fe grows layer by layer with one monolayer of gold, acting as a surfactant, remaining onmore » top of the growing Fe layers. These surface gold atoms sit in the four-fold hollow site, 1.67 {+-} 0.02 A above the iron surface. The grown Fe layer is very much like the bulk, bcc iron, with an interlayer spacing of 1.43 {+-} 0.03 A. Analysis of the Mn 3p ARPEFS signals from c(2 x 2)Mn/Ni(100) and c(2 x 2)Mn/Cu(100) shows that the Mn forms highly corrugated surface alloys. The corrugation of the Mn/Ni(100) and Mn/Cu(100) systems are 0.24 {+-} 0.02 A and 0.30 {+-} 0.04 A respectively. In both cases the Mn is sticking above the plane of the surface substrate atoms. For the Mn/Ni(100) system the first layer Ni is contracted 4% from the bulk value. The Mn/Cu(100) system shows bulk spacing for the substrate Cu. Photoelectron holography shows that the Mn/Ni interface is very abrupt with very little Mn leaking into the second layer, while the Mn/Cu(100) case has a significant amount of Mn leaking into the second layer. A new, five-element electrostatic electron lens was developed for hemispherical electron-energy analyzers. This lens system can be operated at constant transverse or constants angular magnification, and has been optimized for use with the very small photon-spot sizes. Improvements to the hemispherical electron-energy analyzer are also discussed.« less

Simultaneous Speciation, Structure, and Equilibrium Constant Determination in the Ni2+-EDTA-CN- Ternary System via High-Resolution Laboratory X-ray Absorption Fine Structure Spectroscopy and Theoretical Calculations.

PubMed

Bajnóczi, Éva G; Németh, Zoltán; Vankó, György

2017-11-20

Even quite simple chemical systems can involve many components and chemical states, and sometimes it can be very difficult to differentiate them by their hardly separable physical-chemical properties. The Ni II -EDTA-CN - (EDTA = ethylenediaminetetraacetic acid) ternary system is a good example for this problem where, in spite of its fairly simple components and numerous investigations, several molecular combinations can exist, all of them not having been identified unambiguously yet. In order to achieve a detailed understanding of the reaction steps and chemical equilibria, methods are required in which the structural transitions in the different reaction steps can be followed via element-selective complex spectral feature sets. With the help of our recently developed von Hámos type high-resolution laboratory X-ray absorption spectrometer, both the structural variations and stability constants of the forming complexes were determined from the same measurement series, proving that X-ray absorption spectroscopy can be considered as a multifaced, table-top tool in coordination chemistry. Furthermore, with the help of theoretical calculations, independent structural evidence was also given for the formation of the [NiEDTA(CN)] 3- mixed complex.

A Late Pleistocene linear dune dam record of aeolian-fluvial dynamics at the fringes of the northwestern Negev dunefield

NASA Astrophysics Data System (ADS)

Roskin, Joel; Bookman, Revital; Friesem, David; Vardi, Jacob

2017-04-01

The paper presents a late Pleistocene aeolian-fluvial record within a linear dune-like structure that partway served as a dune dam. Situated along the southern fringe of the northwestern Negev desert dunefield (Israel) the structure's morphology, orientation, and some of its stratigraphic units partly resemble adjacent west-east extending vegetated linear dunes. Uneven levels of light-colored, fine-grained fluvial deposits (LFFDs) extend to the north and south from the flanks of the studied structure. Abundant Epipalaeolithic sites line the fringes of the LFFDs. The LFFD microstructures of fine graded bedding and clay blocky peds indicate sorting and shrinking of saturated clays in transitional environments between low energy flows to shallow standing water formed by dunes damming a mid-sized drainage system. The structure's architecture of interchanging units of sand with LFFDs indicates interchanging dominances between aeolian sand incursion and winter floods. Sand mobilization associated with powerful winds during the Heinrich 1 event led to dune damming downstream of the structure and within the structure to in-situ sand deposition, partial fluvial erosion, reworking of the sand, and LFFD deposition. Increased sand deposition led to structure growth and blockage of its drainage system that in turn accumulated LFFD units up stream of the structure. Extrapolation of current local fluvial sediment yields indicate that LFFD accretion up to the structure's brim occurred over a short period of several decades. Thin layers of Geometric Kebaran (c. 17.5-14.5 ka cal BP) to Harifian (12-11 ka BP) artifacts within the structure's surface indicates intermittent, repetitive, and short term camping utilizing adjacent water along a timespan of 4-6 kyr. The finds directly imply that the NW Negev LFFDs formed in dune-dammed water bodies which themselves were formed following events of vegetated linear dune elongation. LFFD accumulation persisted as a result of dune dam maintenance by smaller sand mobilization events. Wetter climates increased flood events boosting LFFD buildup rates but shortened dune dam longevity. The abundance and recurrence of water bodies in middle and large basins deteriorated after Harifian times when reduced wind power during the post-Younger Dryas constrained dune dam maintenance. Eventually, dune dam incision began as a result of overland flow after accommodation space dissipated due to LFFD accretion. Altogether, fluctuating high wind power and precipitation during a glacial-interglacial time window and high availability of fine-grained fluvial sediment yield from eroded middle to late Pleistocene upstream highlands loess mantles, combined to create a trio of aeolian-fluvial forcing factors supporting short-term but amplified dune-dammed fluvial depositional conditions.

P-polarized reflectance spectroscopy: A high sensitive real-time monitoring technique to study surface kinetics under steady state epitaxial deposition conditions

NASA Technical Reports Server (NTRS)

Dietz, Nikolaus; Bachmann, Klaus J.

1995-01-01

This paper describes the results of real-time optical monitoring of epitaxial growth processes by p-polarized reflectance spectroscopy (PRS) using a single wavelength application under pulsed chemical beam epitaxy (PCBE) condition. The high surface sensitivity of PRS allows the monitoring of submonolayer precursors coverage on the surface as shown for GaP homoepitaxy and GaP on Si heteroepitaxy as examples. In the case of heteroepitaxy, the growth rate and optical properties are revealed by PRS using interference oscillations as they occur during growth. Super-imposed on these interference oscillations, the PRS signal exhibits a fine structure caused by the periodic alteration of the surface chemistry by the pulsed supply of chemical precursors. This fine structure is modeled under conditions where the surface chemistry cycles between phosphorus supersaturated and phosphorus depleted surfaces. The mathematical model describes the fine structure using a surface layer that increases during the tertiarybutyl phosphine (TBP) supply and decreases during and after the triethylgallium (TEG) pulse, which increases the growing GaP film thickness. The imaginary part of the dielectric function of the surface layer is revealed from the turning points in the fine structure, where the optical response to the first precursor pulse in the cycle sequence changes sign. The amplitude of the fine structure is determined by the surface layer thickness and the complex dielectric functions for the surface layer with the underlying bulk film. Surface kinetic data can be obtained by analyzing the rise and decay transients of the fine structure.

The logic of the floral transition: Reverse-engineering the switch controlling the identity of lateral organs.

PubMed

Dinh, Jean-Louis; Farcot, Etienne; Hodgman, Charlie

2017-09-01

Much laboratory work has been carried out to determine the gene regulatory network (GRN) that results in plant cells becoming flowers instead of leaves. However, this also involves the spatial distribution of different cell types, and poses the question of whether alternative networks could produce the same set of observed results. This issue has been addressed here through a survey of the published intercellular distribution of expressed regulatory genes and techniques both developed and applied to Boolean network models. This has uncovered a large number of models which are compatible with the currently available data. An exhaustive exploration had some success but proved to be unfeasible due to the massive number of alternative models, so genetic programming algorithms have also been employed. This approach allows exploration on the basis of both data-fitting criteria and parsimony of the regulatory processes, ruling out biologically unrealistic mechanisms. One of the conclusions is that, despite the multiplicity of acceptable models, an overall structure dominates, with differences mostly in alternative fine-grained regulatory interactions. The overall structure confirms the known interactions, including some that were not present in the training set, showing that current data are sufficient to determine the overall structure of the GRN. The model stresses the importance of relative spatial location, through explicit references to this aspect. This approach also provides a quantitative indication of how likely some regulatory interactions might be, and can be applied to the study of other developmental transitions.

Lack of sex-biased dispersal promotes fine-scale genetic structure in alpine ungulates

Treesearch

Gretchen H. Roffler; Sandra L. Talbot; Gordon Luikart; George K. Sage; Kristy L. Pilgrim; Layne G. Adams; Michael K. Schwartz

2014-01-01

Identifying patterns of fine-scale genetic structure in natural populations can advance understanding of critical ecological processes such as dispersal and gene flow across heterogeneous landscapes. Alpine ungulates generally exhibit high levels of genetic structure due to female philopatry and patchy configuration of mountain habitats. We assessed the spatial scale...

X-ray diffraction patterns and diffracted intensity of Kα spectral lines of He-like ions

NASA Astrophysics Data System (ADS)

Goyal, Arun; Khatri, Indu; Singh, A. K.; Sharma, Rinku; Mohan, Man

2017-09-01

In the present paper, we have calculated fine-structure energy levels related to the configurations 1s2s, 1s2p, 1s3s and 1s3p by employing GRASP2K code. We have also computed radiative data for transitions from 1s2p 1 P1o, 1s2p 3 P2o, 1s2p 3 P1o and 1s2s 3S1 to the ground state 1s2. We have made comparisons of our presented energy levels and transition wavelengths with available results compiled by NIST and good agreement is achieved. We have also provided X-ray diffraction (XRD) patterns of Kα spectral lines, namely w, x, y and z of Cu XXVIII, Kr XXXV and Mo with diffraction angle and maximum diffracted intensity which is not published elsewhere in the literature. We believe that our presented results may be beneficial in determination of the order parameter, X-ray crystallography, solid-state drug analysis, forensic science, geological and medical applications.

The fine structure of the terminal segment of the bovine seminiferous tubule.

PubMed

Wrobel, K H; Sinowatz, F; Mademann, R

1982-01-01

The intratesticular excurrent duct system of the bull is composed of rete testis, tubuli recti, and the terminal segment of the seminiferous tubules. Each terminal segment is surrounded by a vascular plexus and may be subdivided into a transitional region, middle portion, and terminal plug. The modified supporting cells of the middle portion and the terminal plug no longer display the typical Sertoli-Sertoli junctions seen in the transitional region and the seminiferous tubule proper. In the region of the terminal plug a distinct central lumen is generally not observed: spermatozoa and tubular fluid must pass through an intricate system of communicating clefts between the apices of the closely attached modified supporting cells. Vacuoles in the supranuclear region of the cells in the middle portion indicate strong transepithelial fluid transport. In analogy to the epithelium of rete testis and tubuli recti, the supporting cells of the terminal segment are capable of phagocytosing spermatozoa. The vascular plexus investing the terminal segment serves a dual purpose: it is a regulatory device for fluid and sperm transport, as well as an area of increased diapedesis for white blood cells.

Energies and transition rates in Ge-like ions between In XVIII and Ce XXVII

NASA Astrophysics Data System (ADS)

Chen, Zhan-Bin; Wang, Kai

2017-03-01

The energy levels, wavelengths, oscillator strengths, and radiative electric dipole (E1), magnetic quadrupole (M2) transition probabilities for Ge-like ions (49 ≤ Z ≤ 58) among the lowest 88 fine-structure levels belonging to the ([Ar] 3d10)4s24p2, ([Ar] 3d10)4s24p4d, ([Ar] 3d10)4s4p3, ([Ar] 3d10)4s4p24d, ([Ar] 3d10)4s24d2, and ([Ar] 3d10)4p4 configurations are calculated using the fully relativistic multiconfiguration Dirac-Fock (MCDF) approach including the correlations within the n = 7 complex, Breit interaction (BI) and quantum electrodynamics (QED) effects. For comparison, an independent calculation using the many-body perturbation theory (MBPT) method is also carried out to confirm the present energy levels accuracy, taking Xe XXIII as an example. The present results are compared with available experimental and theoretical results and good agreement is obtained. These accurate theoretical data are useful for controlled thermonuclear fusion research, plasma physics, and astrophysical applications.

Energy levels, lifetimes, and transition rates for the selenium isoelectronic sequence Pd XIII-Te XIX, Xe XXI-Nd XXVII, W XLI

NASA Astrophysics Data System (ADS)

Wang, K.; Yang, X.; Chen, Z. B.; Si, R.; Chen, C. Y.; Yan, J.; Zhao, X. H.; Dang, W.

2017-09-01

Energy levels, wavelengths, lifetimes, oscillator strengths, and electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), magnetic quadrupole (M2) transition rates among the 46 fine structure levels belonging to the ([ Ar ] 3d10) 4s2 4p4, ([ Ar ] 3d10) 4s2 4p3 4 d, and ([ Ar ] 3d10) 4 s 4p5 configurations for the selenium isoelectronic sequence Pd XIII-Te XIX, Xe XXI-Nd XXVII, W XLI are reported. These data are determined in the multi-configuration Dirac-Fock (MCDF) approach, in which relativistic effects, main electron correlations within the n = 7 complex, Breit interaction (BI), and quantum electrodynamic (QED) corrections are included. The many-body perturbation theory (MBPT) method is also employed as an independent calculation to confirm the present accuracy, taking W XLI as an example. Comparisons and analysis are made between the present results and available experimental and theoretical ones, and good agreements are obtained. These accurate data are expected to be useful in nuclear fusion research and astrophysical applications.

Experimental and Theoretical Investigations of Doubly-excited Sextet States in

NASA Astrophysics Data System (ADS)

Lin, Bin; Berry, H. Gordon; Livingston, A. Eugene; Garnir, Henri-Pierre; Bastin, Thierry; Désesquelles, J.

2002-05-01

The energies and wave functions of the highly doubly-excited sextet states of boron-like O IV, F V and Ne VI are calculated with the Multi-Configuration Hartree-Fock (MCHF) plus the hydrogen-like QED effects and higher-order corrections method. The highly doubly-excited sextet states of boron-like O IV, F V and Ne VI are well above several ionization levels and metastable, and possible candidates for XUV- and soft x-ray laser and energy storage. Three doubly-excited sextet configurations (1s2s2p3 6So, 1s2s2p23s 6P and 1s2p33s 6So) are studied. The wavelengths of electric dipole transitions from the inner-shell excited terms 1s2s2p23s 6P-1s2p33s 6So are investigated by the beam-foil spectroscopy in the XUV spectral region. The predicted transition wavelengths agree with the experiment to 0.08Å. The higher-order corrections and fine structures are found to be critically important in these comparisons.

A Measurement of the Rotational Spectrum of the CH Radical in the Far-Infrared

NASA Astrophysics Data System (ADS)

Davidson, Steven A.; Evenson, Kenneth M.; Brown, John M.

2001-01-01

Rotational and fine-structure transitions between the lower rotational levels of the CH radical in its X2Π state have been observed in absorption in the laboratory with a tunable far-infrared (TuFIR) spectrometer. The molecules were generated in an electric discharge through a mixture of methane and carbon monoxide in helium. The experimental line widths were limited by Doppler broadening and the measurements have a 1 σ experimental uncertainty of 100 kHz. The frequencies have been used together with all previous measurements of CH in the v=0 level of the X2Π electronic state to determine its molecular parameters and to predict an accurate set of rotational transition frequencies. ID="FN1">1We wish to dedicate this paper to our good friend and colleague, Harry Radford, who died on 2000 May 5. His name will live on in association with many groundbreaking pieces of work on the spectroscopy of small molecules, not least with the first detection of the far-infrared spectrum of the CH radical in 1970 March.

Effect of TiC Nanoparticles Supported by Ti Powders on the Solidification Behavior and Microstructure of Pure Aluminum

NASA Astrophysics Data System (ADS)

Zhao, Bingyi; Cai, Qizhou; Li, Xinwei; Li, Bing; Cheng, Jingfan

2018-03-01

A novel grain refiner consisting of TiC nanoparticles (NPs) supported by Ti powders (abbr. TiC/Ti refiner) was prepared by high-energy milling. The addition of 0.5 wt% TiC/Ti refiner converted the structure of pure Al from coarse dendrites to fine equiaxed grains with the average grain size of 114.7 μm, and it also increased the nucleation temperature of α(Al) from 656.7 to 664.4 °C. When TiC/Ti refiner was introduced into Al melt, the heat released from the Al-Ti reaction promoted the uniform dispersion of TiC NPs. The dissolution of the reaction product TiAl3 released Ti atoms into the melt and thus formed a "Ti-rich transition region" around TiC NPs. The dispersive TiC NPs could act as the heterogeneous nuclei for α(Al) and the "Ti-rich transition region" further improved the lattice orientation relationship between Al (\\bar{1}1\\bar{1} ) and TiC (11\\bar{1} ) planes, which eventually resulted in the refining of α(Al).

Ionized carbon in the Large Magellanic Cloud

NASA Technical Reports Server (NTRS)

Boreiko, R. T.; Betz, A. L.

1991-01-01

The 158 micron 2P3/2-2P1/2 fine-structure transition of C(+) at selected locations in the LMC. The C II emission is most intense toward far-infrared continuum peaks and generally is not seen in positions exhibiting strong CO J = 2-1 radiation. Where both C II and CO emission are detected, the V(LSR) centroids are similar but the C II line is wider. The differences in spatial distribution and spectral shape suggest a more pronounced physical separation between the predominantly neutral atomic and molecular gas regions than is the case in the Galaxy. In the LMC, the intense and extended C II emission near 30 Dor implies a total amount of C(+) several times greater than that of Galactic molecular cloud complexes. An attempt was made to detect the 289 micron J = 9-8 transition of (C-12)O in a few locations. The observed upper intensity limit for N159 implies that moderate density molecular gas fills less than 5 percent of the beam and that most of the low J CO emission comes from lower density gas.

Investigating the evolution of local structure around Er and Yb in ZnO:Er and ZnO:Er, Yb on annealing using X-ray absorption spectroscopy

NASA Astrophysics Data System (ADS)

Anjana, R.; Jayaraj, M. K.; Yadav, A. K.; Jha, S. N.; Bhattacharyya, D.

2018-04-01

The local structure around Er and Yb centre in ZnO favouring upconversion luminescence was studied using EXAFS (Extended X-ray absorption fine structure spectroscopy). Due to the ionic radii difference between Zn and Er, Yb ions, the dopants cannot replace Zn in the ZnO lattice properly. Er2O3 and Yb2O3 impurity phases are formed at the grain boundaries of ZnO. It is found that the local structure around the Er centre in ZnO is modified on annealing in air. The symmetry around both erbium and ytterbium reduces with increase in annealing temperature. Symmetry reduction will favour the intra-4f transition and the energy transitions causing upconversion luminescence. By fitting the EXAFS data with theoretically simulated data, it is found that the Er centre forms a local structure similar to C4ν symmetry which is a distorted octahedron. On annealing the sample to 1200 °C, all the erbium centres are transformed to C4ν symmetry causing enhanced upconversion emission. Yb centre has also been modified on annealing. The decrease in co-ordination number with annealing temperature will decrease the symmetry and increase the near infrared absorption cross section. The decrease in symmetry around both the erbium and ytterbium centre and formation of C4ν symmetry around Er centre is the reason behind the activation of upconversion luminescence with high temperature annealing in both Er doped and Er, Yb co-doped ZnO samples. The study will be useful for the synthesis of high efficiency upconversion materials.

Precision measurement of the three 2(3)P(J) helium fine structure intervals.

PubMed

Zelevinsky, T; Farkas, D; Gabrielse, G

2005-11-11

The three 2(3)P fine structure intervals of 4H are measured at an improved accuracy that is sufficient to test two-electron QED theory and to determine the fine structure constant alpha to 14 parts in 10(9). The more accurate determination of alpha, to a precision higher than attained with the quantum Hall and Josephson effects, awaits the reconciliation of two inconsistent theoretical calculations now being compared term by term. A low pressure helium discharge presents experimental uncertainties quite different than for earlier measurements and allows direct measurements of light pressure shifts.

Fine structure in plasma waves and radiation near the plasma frequency in Earth's foreshock

NASA Technical Reports Server (NTRS)

Cairns, Iver H.

1994-01-01

Novel observations are presented of intrunsic fine structure in the frequency spectrum of electomagnetic (EM) radiation and plasma waves near the electron plasma frequency f(sub p) during a period of unusually high interplanetary magnetic field strength. Measured using the wideband receiver on the International Sun-Earth Explorer (ISEE) 1 spacecraft, fine-structured emissions are observed both in the solar wind and the foreshock, The fine structure is shown to correspond to emissions spaced above f(sub p) near half harmonies of the electon cyclotron frequency f(sub ce), i.e., near f(sub p) + nf(sub ce)/2. These appear to be the first space physics observations of emissions spaced by f(sub ce)/2. Indirect but strong arguments are used to discriminate between EM and electrostatic (ES) signals, to identify whether ISEE 1 is in the solar wind or the foreshock, and to determine the relative frequencies of the emissions and the local f(sub p). The data are consistent with generation of the ES and EM emissions in the foreshock, with subsequent propagation of the EM emissions into the solar wind. It remains possible that some emissions currently identified as ES have significant EM character. The ES and EM emisions often merge into one another with minimal changes in frequency, arguing that their source regions and generation mechanisms are related and imposing significant constraints on theories. The f(sub ce)/2 ES and EM fine structures observed may be intrinsic to the emission mechanisms or to superposition of two series of signals with f(sub ce) spacing that differ in starting frequency by f(sub ce)/2. Present theories for nonlinear wave coupling processes, cyclotron maser emission, and other linear instability processes are all unable to explain multiple EM and/or ES components spaced by approximately f(sub ce)/2 above f(sub p) for f(sub p)/f(sub ce) much greater than 1 and typical for shock beams parameters. Suitable avenues for further theoretical research are identified. Empirically, the observed fine structures appear very similar to those in split bnad and multiple-lane type II solar radio bursts; interpretation of both these type II fine structures in terms of f(sub ce)/2 splitting is suggested, thereby supporting and generalizing a suggestion by Wild (1950). A possible application to continuum radiation is mentioned. The ubiquity of these fine structures in the Earth's f(sub p) radiation and foreshock waves remains unknown. Only the ISEE 1 wideband receiver has sufficient frequency resolution (approximately less than or equal to 100 Hz) to perform a dedicated search. Further study of the ubiquity of these fine structures, of how reliably the splitting corresponds to f(sub ce)/2, and of the other interpretations above is necessary.

Continuity of states between the cholesteric → line hexatic transition and the condensation transition in DNA solutions

DOE PAGES

Yasar, Selcuk; Podgornik, Rudolf; Valle-Orero, Jessica; ...

2014-11-05

A new method of finely temperature-tuning osmotic pressure allows one to identify the cholesteric → line hexatic transition of oriented or unoriented long-fragment DNA bundles in monovalent salt solutions as first order, with a small but finite volume discontinuity. This transition is similar to the osmotic pressure-induced expanded → condensed DNA transition in polyvalent salt solutions at small enough polyvalent salt concentrations. Therefore there exists a continuity of states between the two. This finding with the corresponding empirical equation of state, effectively relates the phase diagram of DNA solutions for monovalent salts to that for polyvalent salts and sheds somemore » light on the complicated interactions between DNA molecules at high densities.« less

Atomic Data and Spectral Line Intensities for Ni XV

NASA Technical Reports Server (NTRS)

Landi, E.; Bhatia, A. K.

2011-01-01

Electron impact collision strengths, energy levels, oscillator strengths, and spontaneous radiative decay rates are calculated for Ni XV.Weinclude in the calculations the 9 lowest configurations, corresponding to 126 fine structure levels: 3s23p2, 3s3p3, 3s23p3d, 3p4, 3s3p23d, and 3s2 3p4l with l =, s, p, d, f. Collision strengths are calculated at five incident energies for all transitions: 7.8, 18.5, 33.5, 53.5, and 80.2 Ry above the threshold of each transition. An additional energy, very close to the transition threshold, has been added, whose value is between 0.004 and 0.28 Ry depending on the levels involved. Calculations have been carried out using the Flexible Atomic Code and the distorted-wave approximation. Excitation rate coefficients are calculated as a function of electron temperature by assuming a Maxwellian electron velocity distribution. Using the excitation rate coefficients and the radiative transition rates calculated in the present work, statistical equilibrium equations for level populations are solved at electron densities covering the 10(exp 8)-10(exp 14)/cu cm range and at an electron temperature of log T(sub e)(K) = 6.4, corresponding to the maximum abundance of Ni XV. Spectral line intensities are calculated, and their diagnostic relevance is discussed. This dataset will be made available in the next version of the CHIANTI database.

High Resolutions Studies of the Structure of the Solar Atmosphere

DTIC Science & Technology

1992-06-30

Pairs in the Solar Wind", submitted to J. Geophys. Res., July 20, 1992. M. Karovska , F. Blundell and S. R. Habbal, "Fine Scale Structure of Active...Regions", manuscript in preparation. M. Karovska , F. Blundell and S. R. Habbal, "Fine Scale Structure of the Solar Limb in a Coronal Hole", manuscript in

Fine-scale genetic structure of whitebark pine (Pinus albicaulis) associations with watershed and growth form

Treesearch

Deborah L. Rogers; Constance I. Millar; Robert D. Westfall

1999-01-01

The fine-scale genetic structure of a subalpine conifer, whitebark pine (Pinus albicaulis Engelm.), was studied at nested geographic levels from watershed to adjacent stems in the eastern Sierra Nevada Range of California. A combination of several characteristics contributed to unpredicted genetic structure in this species. This includes being one of...

Fine-Scale Community Structure Analysis of ANME in Nyegga Sediments with High and Low Methane Flux

PubMed Central

Roalkvam, Irene; Dahle, Håkon; Chen, Yifeng; Jørgensen, Steffen Leth; Haflidason, Haflidi; Steen, Ida Helene

2012-01-01

To obtain knowledge on how regional variations in methane seepage rates influence the stratification, abundance, and diversity of anaerobic methanotrophs (ANME), we analyzed the vertical microbial stratification in a gravity core from a methane micro-seeping area at Nyegga by using 454-pyrosequencing of 16S rRNA gene tagged amplicons and quantitative PCR. These data were compared with previously obtained data from the more active G11 pockmark, characterized by higher methane flux. A down core stratification and high relative abundance of ANME were observed in both cores, with transition from an ANME-2a/b dominated community in low-sulfide and low methane horizons to ANME-1 dominance in horizons near the sulfate-methane transition zone. The stratification was over a wider spatial region and at greater depth in the core with lower methane flux, and the total 16S rRNA copy numbers were two orders of magnitude lower than in the sediments at G11 pockmark. A fine-scale view into the ANME communities at each location was achieved through operational taxonomical units (OTU) clustering of ANME-affiliated sequences. The majority of ANME-1 sequences from both sampling sites clustered within one OTU, while ANME-2a/b sequences were represented in unique OTUs. We suggest that free-living ANME-1 is the most abundant taxon in Nyegga cold seeps, and also the main consumer of methane. The observation of specific ANME-2a/b OTUs at each location could reflect that organisms within this clade are adapted to different geochemical settings, perhaps due to differences in methane affinity. Given that the ANME-2a/b population could be sustained in less active seepage areas, this subgroup could be potential seed populations in newly developed methane-enriched environments. PMID:22715336

Contrasting responses to a climate regime change by sympatric, ice-dependent predators.

PubMed

Younger, Jane L; van den Hoff, John; Wienecke, Barbara; Hindell, Mark; Miller, Karen J

2016-03-15

Models that predict changes in the abundance and distribution of fauna under future climate change scenarios often assume that ecological niche and habitat availability are the major determinants of species' responses to climate change. However, individual species may have very different capacities to adapt to environmental change, as determined by intrinsic factors such as their dispersal ability, genetic diversity, generation time and rate of evolution. These intrinsic factors are usually excluded from forecasts of species' abundance and distribution changes. We aimed to determine the importance of these factors by comparing the impact of the most recent climate regime change, the late Pleistocene glacial-interglacial transition, on two sympatric, ice-dependent meso-predators, the emperor penguin (Aptenodytes forsteri) and Weddell seal (Leptonychotes weddellii). We reconstructed the population trend of emperor penguins and Weddell seals in East Antarctica over the past 75,000 years using mitochondrial DNA sequences and an extended Bayesian skyline plot method. We also assessed patterns of contemporary population structure and genetic diversity. Despite their overlapping distributions and shared dependence on sea ice, our genetic data revealed very different responses to climate warming between these species. The emperor penguin population grew rapidly following the glacial-interglacial transition, but the size of the Weddell seal population did not change. The expansion of emperor penguin numbers during the warm Holocene may have been facilitated by their higher dispersal ability and gene flow among colonies, and fine-scale differences in preferred foraging locations. The vastly different climate change responses of two sympatric ice-dependent predators suggests that differing adaptive capacities and/or fine-scale niche differences can play a major role in species' climate change responses, and that adaptive capacity should be considered alongside niche and distribution in future species forecasts.

Gas-phase synthesis and structure of monomeric ZnOH: a model species for metalloenzymes and catalytic surfaces.

PubMed

Zack, Lindsay N; Sun, Ming; Bucchino, Matthew P; Clouthier, Dennis J; Ziurys, Lucy M

2012-02-16

Monomeric ZnOH has been studied for the first time using millimeter and microwave gas-phase spectroscopy. ZnOH is important in surface processes and at the active site of the enzyme carbonic anhydrase. In the millimeter-wave direct-absorption experiments, ZnOH was synthesized by reacting zinc vapor, produced in a Broida-type oven, with water. In the Fourier-transform microwave measurements, ZnOH was produced in a supersonic jet expansion of CH(3)OH and zinc vapor, created by laser ablation. Multiple rotational transitions of six ZnOH isotopologues in their X(2)A' ground states were measured over the frequency range of 22-482 GHz, and splittings due to fine and hyperfine structure were resolved. An asymmetric top pattern was observed in the spectra, showing that ZnOH is bent, indicative of covalent bonding. From these data, spectroscopic constants and an accurate structure were determined. The Zn-O bond length was found to be similar to that in carbonic anhydrase and other model enzyme systems.

The contribution of visual information to the perception of speech in noise with and without informative temporal fine structure

PubMed Central

Stacey, Paula C.; Kitterick, Pádraig T.; Morris, Saffron D.; Sumner, Christian J.

2017-01-01

Understanding what is said in demanding listening situations is assisted greatly by looking at the face of a talker. Previous studies have observed that normal-hearing listeners can benefit from this visual information when a talker's voice is presented in background noise. These benefits have also been observed in quiet listening conditions in cochlear-implant users, whose device does not convey the informative temporal fine structure cues in speech, and when normal-hearing individuals listen to speech processed to remove these informative temporal fine structure cues. The current study (1) characterised the benefits of visual information when listening in background noise; and (2) used sine-wave vocoding to compare the size of the visual benefit when speech is presented with or without informative temporal fine structure. The accuracy with which normal-hearing individuals reported words in spoken sentences was assessed across three experiments. The availability of visual information and informative temporal fine structure cues was varied within and across the experiments. The results showed that visual benefit was observed using open- and closed-set tests of speech perception. The size of the benefit increased when informative temporal fine structure cues were removed. This finding suggests that visual information may play an important role in the ability of cochlear-implant users to understand speech in many everyday situations. Models of audio-visual integration were able to account for the additional benefit of visual information when speech was degraded and suggested that auditory and visual information was being integrated in a similar way in all conditions. The modelling results were consistent with the notion that audio-visual benefit is derived from the optimal combination of auditory and visual sensory cues. PMID:27085797

Highly Acidic Ambient Particles, Soluble Metals, and Oxidative Potential: A Link between Sulfate and Aerosol Toxicity.

PubMed

Fang, Ting; Guo, Hongyu; Zeng, Linghan; Verma, Vishal; Nenes, Athanasios; Weber, Rodney J

2017-03-07

Soluble transition metals in particulate matter (PM) can generate reactive oxygen species in vivo by redox cycling, leading to oxidative stress and adverse health effects. Most metals, such as those from roadway traffic, are emitted in an insoluble form, but must be soluble for redox cycling. Here we present the mechanism of metals dissolution by highly acidic sulfate aerosol and the effect on particle oxidative potential (OP) through analysis of size distributions. Size-segregated ambient PM were collected from a road-side and representative urban site in Atlanta, GA. Elemental and organic carbon, ions, total and water-soluble metals, and water-soluble OP were measured. Particle pH was determined with a thermodynamic model using measured ionic species. Sulfate was spatially uniform and found mainly in the fine mode, whereas total metals and mineral dust cations were highest at the road-side site and in the coarse mode, resulting in a fine mode pH < 2 and near neutral coarse mode. Soluble metals and OP peaked at the intersection of these modes demonstrating that sulfate plays a key role in producing highly acidic fine aerosols capable of dissolving primary transition metals that contribute to aerosol OP. Sulfate-driven metals dissolution may account for sulfate-health associations reported in past studies.

The millimeter and submillimeter rotational spectrum of the MgCN radical (X (sup 2) Sigma(+))

NASA Technical Reports Server (NTRS)

Anderson, M. A.; Steimle, T. C.; Ziurys, L. M.

1994-01-01

The pure rotational spectrum of the MgCN radical has been recorded in the laboratory using millimeter/submillimeter direct absorption spectroscopy. Twenty-seven rotational transitions of the species were observed in the range 101-376 GHz and indicate that the molecule is linear with a (sup 2)Sigma(+) ground electronic state, as predicted by theory. Spin rotation interactions were resolved in the spectra, but no hyperfine splittings were observed, which would originate with the nitrogen nuclear spin. The rotational and fine-structure constants were determined for this radical from a nonlinear least-squares fit to the data using a (sup 2)Sigma Hamiltonian. MgCN is of astrophysical interest because it is the metastable isomer of MgNC, which recently has been detected toward IRC +10216

Relativistic effects in the photoionization of hydrogen-like ions with screened Coulomb interaction

NASA Astrophysics Data System (ADS)

Xie, L. Y.; Wang, J. G.; Janev, R. K.

2014-06-01

The relativistic effects in the photoionization of hydrogen-like ion with screened Coulomb interaction of Yukawa type are studied for a broad range of screening lengths and photoelectron energies. The bound and continuum wave functions have been determined by solving the Dirac equation. The study is focused on the relativistic effects manifested in the characteristic features of photoionization cross section for electric dipole nl →ɛ,l±1 transitions: shape resonances, Cooper minima and cross section enhancements due to near-zero-energy states. It is shown that the main source of relativistic effects in these cross section features is the fine-structure splitting of bound state energy levels. The relativistic effects are studied in the photoionization of Fe25+ ion, as an example.

Relativistic effects in the photoionization of hydrogen-like ions with screened Coulomb interaction

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

Xie, L. Y.; Key Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, P.O. Box 8009-26, Beijing 100088; Wang, J. G.

2014-06-15

The relativistic effects in the photoionization of hydrogen-like ion with screened Coulomb interaction of Yukawa type are studied for a broad range of screening lengths and photoelectron energies. The bound and continuum wave functions have been determined by solving the Dirac equation. The study is focused on the relativistic effects manifested in the characteristic features of photoionization cross section for electric dipole nl→ε,l±1 transitions: shape resonances, Cooper minima and cross section enhancements due to near-zero-energy states. It is shown that the main source of relativistic effects in these cross section features is the fine-structure splitting of bound state energy levels.more » The relativistic effects are studied in the photoionization of Fe{sup 25+} ion, as an example.« less

Dynamical mean field theory equations on nearly real frequency axis

NASA Astrophysics Data System (ADS)

Fathi, M. B.; Jafari, S. A.

2010-03-01

The iterated perturbation theory (IPT) equations of the dynamical mean field theory (DMFT) for the half-filled Hubbard model are solved on nearly real frequencies at various values of the Hubbard parameters, U, to investigate the nature of metal-insulator transition (MIT) at finite temperatures. This method avoids the instabilities associated with the infamous Padé analytic continuation and reveals fine structures across the MIT at finite temperatures, which cannot be captured by conventional methods for solving DMFT-IPT equations on Matsubara frequencies. Our method suggests that at finite temperatures, there is a crossover from a bad metal to a bad insulator in which the height of the quasi-particle (Kondo) peak decreases to a non-zero small bump, which gradually suppresses as one moves deeper into the bad insulating regime.

Laboratory detection and millimeter spectrum of the MgCCH radical

NASA Technical Reports Server (NTRS)

Anderson, M. A.; Ziurys, L. M.

1995-01-01

The pure rotational spectrum of the magnesium monoacetylide radical, MgCCH, has been recorded in the laboratory using millimeter/sub-mm direct absorption spectroscopy. These measurements constitute the first time this molecule has been observed in the laboratory by any spectroscopic method. Seventeen rotational transitions were observed in the frequency range 210-370 GHz for MgCCH, which appears to be a linear molecule with a (sup 2)Sigma ground electronic state. Rotational and fine structure constants were determined for this radical from a nonlinear least squares fit to the data. The rotational rest frequencies measured here will enable astronomical observations to be carried out for MgCCH towards IRC +10216, where the magnesium compounds MgCN and MgNC, as well as many acetylide species, are present.

Fine Structure in Helium-like Fluorine by Fast-Beam Laser Spectroscopy

NASA Astrophysics Data System (ADS)

Myers, E. G.; Thompson, J. K.; Silver, J. D.

1998-05-01

With the aim of providing an additional precise test of higher-order corrections to high precision calculations of fine structure in helium and helium-like ions(T. Zhang, Z.-C. Yan and G.W.F. Drake, Phys. Rev. Lett. 77), 1715 (1996)., a measurement of the 2^3P_2,F - 2^3P_1,F' fine structure in ^19F^7+ is in progress. The method involves doppler-tuned laser spectroscopy using a CO2 laser on a foil-stripped fluorine ion beam. We aim to achieve a higher precision, compared to an earlier measurement(E.G. Myers, P. Kuske, H.J. Andrae, I.A. Armour, H.A. Klein, J.D. Silver, and E. Traebert, Phys. Rev. Lett. 47), 87 (1981)., by using laser beams parallel and anti-parallel to the ion beam, to obtain partial cancellation of the doppler shift(J.K. Thompson, D.J.H. Howie and E.G. Myers, Phys. Rev. A 57), 180 (1998).. A calculation of the hyperfine structure, allowing for relativistic, QED and nuclear size effects, will be required to obtain the ``hyperfine-free'' fine structure interval from the measurements.

Impact of synthetic biology and metabolic engineering on industrial production of fine chemicals.

PubMed

Jullesson, David; David, Florian; Pfleger, Brian; Nielsen, Jens

2015-11-15

Industrial bio-processes for fine chemical production are increasingly relying on cell factories developed through metabolic engineering and synthetic biology. The use of high throughput techniques and automation for the design of cell factories, and especially platform strains, has played an important role in the transition from laboratory research to industrial production. Model organisms such as Saccharomyces cerevisiae and Escherichia coli remain widely used host strains for industrial production due to their robust and desirable traits. This review describes some of the bio-based fine chemicals that have reached the market, key metabolic engineering tools that have allowed this to happen and some of the companies that are currently utilizing these technologies for developing industrial production processes. Copyright © 2015 Elsevier Inc. All rights reserved.

Predictions of thermomagnetic properties of Laves phase compounds: TbAl2, GdAl2 and SmAl2 performed with ATOMIC MATTERS MFA computation system

NASA Astrophysics Data System (ADS)

Michalski, Rafał; Zygadło, Jakub

2018-04-01

Recent calculations of properties of TbAl2 GdAl2 and SmAl2 single crystals, performed with our new computation system called ATOMIC MATTERS MFA are presented. We applied localized electron approach to describe the thermal evolution of Fine Electronic Structure of Tb3+, Gd3+ and Sm3+ ions over a wide temperature range and estimate Magnetocaloric Effect (MCE). Thermomagnetic properties of TbAl2, GdAl2 and SmAl2 were calculated based on the fine electronic structure of the 4f8, 4f7 and 4f5 electronic configuration of the Tb3+ and Gd3+ and Sm3+ ions, respectively. Our calculations yielded: magnetic moment value and direction; single-crystalline magnetization curves in zero field and in external magnetic field applied in various directions m(T,Bext); the 4f-electronic components of specific heat c4f(T,Bext); and temperature dependence of the magnetic entropy and isothermal entropy change with external magnetic field - ΔS(T,Bext). The cubic universal CEF parameters values used for all CEF calculations was taken from literature and recalculated for universal cubic parameters set for the RAl2 series: A4 = +7.164 Ka04 and A6 = -1.038 Ka06. Magnetic properties were found to be anisotropic due to cubic Laves phase C15 crystal structure symmetry. These studies reveal the importance of multipolar charge interactions when describing thermomagnetic properties of real 4f electronic systems and the effectiveness of an applied self-consistent molecular field in calculations for magnetic phase transition simulation.

X ray absorption fine structure of systems in the anharmonic limit

NASA Astrophysics Data System (ADS)

Mustredeleon, J.; Conradson, S. D.; Batistic, I.; Bishop, A. R.; Raistrick, I.; Jackson, W. E.; Brown, G. E.

A new approach to the analysis of x-ray absorption fine structure (XAFS) data is presented. It is based on the use of radial distribution functions directly calculated from a single-particle ion Hamiltonian containing model potentials. The starting point of this approach is the statistical average of the XAFS for an atomic pair. This average can be computed using a radial distribution function (RDF), which can be expressed in terms of the eigenvalues and wavefunctions associated with the model potential. The pair potential describing the ionic motion is then expressed in terms of parameters that are determined by fitting this statistical average to the experimental XAFS spectrum. This approach allows the use of XAFS as a tool for mapping near-neighbor interatomic potentials, and allows the treatment of systems which exhibit strongly anharmonic potentials which can be treated by perturbative methods. Using this method we have analyzed the high temperature behavior of the oxygen contributions to the Fe K-edge XAFS in the ferrosilicate minerals andradite (Ca3Fe2Si3O12) and magnesiowustite (Mg(0.9)Fe(0.1)O). Using a temperature dependent anharmonic correction derived from these model compounds, we have found evidence for a local structural change in the Fe-O coordination environment upon melting of the geologically important mineral fayalite (Fe2SiO4). We have also employed this method to the study of the axial oxygen contributions to the polarized Cu K-edge XAFS on oriented samples of YBa2Cu3O7 and related compounds. From this study we find evidence for an axial oxygen-centered lattice distortion accompanying the superconducting phase transition and a correlation between this distortion and Tc. The relation of the observed lattice distortion to mechanisms of superconductivity is discussed.

Discovery of Ahrensite γ-Fe2SiO4 and Tissintite (Ca,Na,[])AlSi2O6, Two New Shock-induced Minerals from the Tissint Martian Meteorite: a Nanomineralogy Investigation

NASA Astrophysics Data System (ADS)

Ma, C.; Tschauner, O. D.; Liu, Y.; Sinogeikin, S. V.; Zhuravlev, K. K.; Prakapenka, V.; Dera, P. K.; Taylor, L. A.

2013-12-01

The recent Martian meteorite fall, Tissint, is a fresh olivine-phyric shergottite, with strong shock features. During our nano-mineralogy investigation of the Tissint meteorite with a combined analytical scanning electron microscope and synchrotron diffraction approach, two new shock-induced minerals have been discovered; these provide new insights into understanding shock conditions and impact processes on Mars. Ahrensite (IMA 2013-028), the Fe-analogue (γ-Fe2SiO4) of ringwoodite, is a new high-pressure mineral identified in Tissint. Both ahrensite and ringwoodite occur in Tissint as fine-grained polycrystalline aggregates in the rims of olivines around some shock-melt pockets. The morphology and texture of these silicate-spinels suggest formation by a solid-state transformation from Fe-rich olivine. Associated with the ahrensite and ringwoodite, inside melt pockets, often resides a thin layer of vitrified silicate-perovskite and magnesio-wüstite or wüstite. Such transitions represent a unique pressure and temperature gradient. Tissintite (IMA 2013-027), (Ca,Na,[])AlSi2O6 with the C2/c clinopyroxene structure, is a new jadeite-like mineral in Tissint. It appears as fine-grained aggregates within plagioclase glass, inside many shock-melt pockets. Both ahrensite and tissintite are high-pressure minerals formed by shock during the impact event(s) on Mars that excavated and ejected the rock off Mars. We will discuss the path of structure analysis for both new-mineral cases. Such novel methodology be utilized for many cases of mineralogical phase identification or structure analysis; this demonstrates how nano-mineralogy can be addressed and how it may play a unique role in meteorite and Mars rock research, in general.

Designing, producing, and constructing fine-graded hot mix asphalt on Illinois roadways.

DOT National Transportation Integrated Search

2015-04-01

Fine-graded (F-G) asphalt concrete mixtures are composed of an aggregate structure in which the fine fraction controls the : load-carrying capacity of the mix. Other states have reported benefits in using F-G mixtures, including improved compaction, ...

Self-Assembled Fe-N-Doped Carbon Nanotube Aerogels with Single-Atom Catalyst Feature as High-Efficiency Oxygen Reduction Electrocatalysts

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

Zhu, Chengzhou; Fu, Shaofang; Song, Junhua

Finely controlled synthesis of high active and robust non-precious metal catalysts with excellent electrocatalytic efficiency towards oxygen reduction reaction is extremely vital for successful implementation of fuel cells and metal batteries. Unprecedented oxygen reduction reaction electrocatalytic performances and the diversified synthetic procedure in term of favorable structure/morphology characteristics make transition metals-derived M–N–C (M=Fe, Co) structures the most promising nanocatalysts. Herein, using the nitrogen-containing small molecular and inorganic salt as precursors and ultrathin tellurium nanowires as templates, we successfully synthesized a series of well-defined M-N-doped hollow carbon nanowire aerogels through one step hydrothermal route and subsequent facile annealing treatment. Taking advantagemore » of the porous nanostructures, one-dimensional building block as well as homogeneity of active sites, the resultant Fe-N-doped carbon hollow nanowire aerogels exhibited excellent ORR electrocatalytic performance even better than commercial Pt/C in alkaline solution, holding great potential in fuel cell applications.« less

Scalable Low-Cost Fabrication of Disposable Paper Sensors for DNA Detection

PubMed Central

2015-01-01

Controlled integration of features that enhance the analytical performance of a sensor chip is a challenging task in the development of paper sensors. A critical issue in the fabrication of low-cost biosensor chips is the activation of the device surface in a reliable and controllable manner compatible with large-scale production. Here, we report stable, well-adherent, and repeatable site-selective deposition of bioreactive amine functionalities and biorepellant polyethylene glycol-like (PEG) functionalities on paper sensors by aerosol-assisted, atmospheric-pressure, plasma-enhanced chemical vapor deposition. This approach requires only 20 s of deposition time, compared to previous reports on cellulose functionalization, which takes hours. A detailed analysis of the near-edge X-ray absorption fine structure (NEXAFS) and its sensitivity to the local electronic structure of the carbon and nitrogen functionalities. σ*, π*, and Rydberg transitions in C and N K-edges are presented. Application of the plasma-processed paper sensors in DNA detection is also demonstrated. PMID:25423585

A boundary condition for layer to level ocean model interaction

NASA Astrophysics Data System (ADS)

Mask, A.; O'Brien, J.; Preller, R.

2003-04-01

A radiation boundary condition based on vertical normal modes is introduced to allow a physical transition between nested/coupled ocean models that are of differing vertical structure and/or differing physics. In this particular study, a fine resolution regional/coastal sigma-coordinate Naval Coastal Ocean Model (NCOM) has been successfully nested to a coarse resolution (in the horizontal and vertical) basin scale NCOM and a coarse resolution basin scale Navy Layered Ocean Model (NLOM). Both of these models were developed at the Naval Research Laboratory (NRL) at Stennis Space Center, Mississippi, USA. This new method, which decomposes the vertical structure of the models into barotropic and baroclinic modes, gives improved results in the coastal domain over Orlanski radiation boundary conditions for the test cases. The principle reason for the improvement is that each mode has the radiation boundary condition applied individually; therefore, the packet of information passing through the boundary is allowed to have multiple phase speeds instead of a single-phase speed. Allowing multiple phase speeds reduces boundary reflections, thus improving results.

Stability of (Fe-Tm-B) amorphous alloys: relaxation and crystallization phenomena

NASA Astrophysics Data System (ADS)

Zemčík, T.

1994-12-01

Fe-Tm-B base (TM=transition metal) amorphous alloys (metallic glasses) are thermodynamically metastable. This limits their use as otherwise favourable materials, e.g. magnetically soft, corrosion resistant and mechanically firm. By analogy of the mechanical strain-stress dependence, at a certain degree of thermal activation the amorphous structure reaches its limiting state where it changes its character and physical properties. Relaxation and early crystallization processes in amorphous alloys, starting already around 100°C, are reviewed involving subsequently stress relief, free volume shrinking, topological and chemical ordering, pre-crystallization phenomena up to partial (primary) crystallization. Two diametrically different examples are demonstrated from among the soft magnetic materials: relaxation and early crystallization processes in the Fe-Co-B metallic glasses and controlled crystallization of amorphous ribbons yielding rather modern nanocrystalline “Finemet” alloys where late relaxation and pre-crystallization phenomena overlap when forming extremely dispersive and fine-grained nanocrystals-in-amorphous-sauce structure. Mössbauer spectroscopy seems to be unique for magnetic and phase analysis of such complicated systems.

Atomic dark matter with hyperfine interactions

NASA Astrophysics Data System (ADS)

Boddy, Kimberly K.; Kaplinghat, Manoj; Kwa, Anna; Peter, Annika H. G.

2017-11-01

We consider dark matter as an analog of hydrogen in a secluded sector and study its astrophysical implications. The self interactions between dark matter particles include elastic scatterings as well as inelastic processes from hyperfine transitions. We show that for a dark hydrogen mass in the 10-100 GeV range and a dark fine-structure constant larger than 0.01, the self-interaction cross section has the right magnitude and velocity dependence to explain the low dark matter density cores seen in small galaxies while being consistent with all constraints from observations of galaxy clusters. Excitations to the hyperfine state and subsequent decays, however, may cause significant cooling losses and affect the evolution of low-mass halos. We also find minimum halo masses in the range of 103.5-107 M⊙, which are significantly larger than the typical predictions for weakly interacting dark matter models. This pattern of observables in structure formation is unique to this model, making it possible to determine the viability of hidden-sector hydrogen as a dark matter candidate.

Efficient first-principles prediction of solid stability: Towards chemical accuracy

DOE PAGES

Zhang, Yubo; Kitchaev, Daniil A.; Yang, Julia; ...

2018-03-09

The question of material stability is of fundamental importance to any analysis of system properties in condensed matter physics and materials science. The ability to evaluate chemical stability, i.e., whether a stoichiometry will persist in some chemical environment, and structure selection, i.e. what crystal structure a stoichiometry will adopt, is critical to the prediction of materials synthesis, reactivity and properties. In this paper, we demonstrate that density functional theory, with the recently developed strongly constrained and appropriately normed (SCAN) functional, has advanced to a point where both facets of the stability problem can be reliably and efficiently predicted for mainmore » group compounds, while transition metal compounds are improved but remain a challenge. SCAN therefore offers a robust model for a significant portion of the periodic table, presenting an opportunity for the development of novel materials and the study of fine phase transformations even in largely unexplored systems with little to no experimental data.« less

Scalable Low-Cost Fabrication of Disposable Paper Sensors for DNA Detection

DOE PAGES

Gandhiraman, Ram P.; Nordlund, Dennis; Jayan, Vivek; ...

2014-11-25

Controlled integration of features that enhance the analytical performance of a sensor chip is a challenging task in the development of paper sensors. A critical issue in the fabrication of low-cost biosensor chips is the activation of the device surface in a reliable and controllable manner compatible with large-scale production. Here, we report stable, well-adherent, and repeatable site-selective deposition of bioreactive amine functionalities and biorepellant polyethylene glycol-like (PEG) functionalities on paper sensors by aerosol-assisted, atmospheric-pressure, plasma-enhanced chemical vapor deposition. This approach requires only 20 s of deposition time, compared to previous reports on cellulose functionalization, which takes hours. We presentmore » a detailed analysis of the near-edge X-ray absorption fine structure (NEXAFS) and its sensitivity to the local electronic structure of the carbon and nitrogen functionalities. σ*, π*, and Rydberg transitions in C and N K-edges. Lastly, application of the plasma-processed paper sensors in DNA detection is also demonstrated.« less

Efficient first-principles prediction of solid stability: Towards chemical accuracy

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

Zhang, Yubo; Kitchaev, Daniil A.; Yang, Julia

The question of material stability is of fundamental importance to any analysis of system properties in condensed matter physics and materials science. The ability to evaluate chemical stability, i.e., whether a stoichiometry will persist in some chemical environment, and structure selection, i.e. what crystal structure a stoichiometry will adopt, is critical to the prediction of materials synthesis, reactivity and properties. In this paper, we demonstrate that density functional theory, with the recently developed strongly constrained and appropriately normed (SCAN) functional, has advanced to a point where both facets of the stability problem can be reliably and efficiently predicted for mainmore » group compounds, while transition metal compounds are improved but remain a challenge. SCAN therefore offers a robust model for a significant portion of the periodic table, presenting an opportunity for the development of novel materials and the study of fine phase transformations even in largely unexplored systems with little to no experimental data.« less

Fast Fenton footprinting: a laboratory-based method for the time-resolved analysis of DNA, RNA and proteins

PubMed Central

Shcherbakova, Inna; Mitra, Somdeb; Beer, Robert H.; Brenowitz, Michael

2006-01-01

‘Footprinting’ describes assays in which ligand binding or structure formation protects polymers such as nucleic acids and proteins from either cleavage or modification; footprinting allows the accessibility of individual residues to be mapped in solution. Equilibrium and time-dependent footprinting links site-specific structural information with thermodynamic and kinetic transitions. The hydroxyl radical (·OH) is a particularly valuable footprinting probe by virtue of it being among the most reactive of chemical oxidants; it reports the solvent accessibility of reactive sites on macromolecules with as fine as a single residue resolution. A novel method of millisecond time-resolved ·OH footprinting has been developed based on the Fenton reaction, Fe(II) + H2O2 → Fe(III) + ·OH + OH−. This method can be implemented in laboratories using widely available three-syringe quench flow mixers and inexpensive reagents to study local changes in the solvent accessibility of DNA, RNA and proteins associated with their biological function. PMID:16582097

Breit–Pauli atomic structure calculations for Fe XI

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

Aggarwal, Sunny, E-mail: sunny.du87@gmail.com; Singh, Jagjit; Mohan, Man

Energy levels, oscillator strengths, and transition probabilities are calculated for the lowest-lying 165 energy levels of Fe XI using configuration-interaction wavefunctions. The calculations include all the major correlation effects. Relativistic effects are included in the Breit–Pauli approximation by adding mass-correction, Darwin, and spin–orbit interaction terms to the non-relativistic Hamiltonian. For comparison with the calculated ab initio energy levels, we have also calculated the energy levels by using the fully relativistic multiconfiguration Dirac–Fock method. The calculated results are in close agreement with the National Institute of Standards and Technology compilation and other available results. New results are predicted for many ofmore » the levels belonging to the 3s3p{sup 4}3d and 3s3p{sup 3}3d{sup 2} configurations, which are very important in astrophysics, relevant, for example, to the recent observations by the Hinode spacecraft. We expect that our extensive calculations will be useful to experimentalists in identifying the fine structure levels in their future work.« less

Valence and ionic lowest-lying electronic states of ethyl formate as studied by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy, and ab initio calculations

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

Śmiałek, M. A., E-mail: smialek@pg.gda.pl; Łabuda, M.; Guthmuller, J.

2014-09-14

The highest resolution vacuum ultraviolet photoabsorption spectrum of ethyl formate, C{sub 2}H{sub 5}OCHO, yet reported is presented over the wavelength range 115.0–275.5 nm (10.75–4.5 eV) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series, observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. Calculations have also been carried out to determine the ionization energies and fine structure of the lowest ionic state of ethyl formate and are compared with a newly recorded He(I) photoelectron spectrum (from 10.1 to 16.1 eV). Newmore » vibrational structure is observed in the first photoelectron band. The photoabsorption cross sections have been used to calculate the photolysis lifetime of ethyl formate in the upper stratosphere (20–50 km)« less

Hydrogeologic Unit Flow Characterization Using Transition Probability Geostatistics

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

Jones, N L; Walker, J R; Carle, S F

2003-11-21

This paper describes a technique for applying the transition probability geostatistics method for stochastic simulation to a MODFLOW model. Transition probability geostatistics has several advantages over traditional indicator kriging methods including a simpler and more intuitive framework for interpreting geologic relationships and the ability to simulate juxtapositional tendencies such as fining upwards sequences. The indicator arrays generated by the transition probability simulation are converted to layer elevation and thickness arrays for use with the new Hydrogeologic Unit Flow (HUF) package in MODFLOW 2000. This makes it possible to preserve complex heterogeneity while using reasonably sized grids. An application of themore » technique involving probabilistic capture zone delineation for the Aberjona Aquifer in Woburn, Ma. is included.« less

Applications of x ray absorption fine structure to the in situ study of the effect of cobalt in nickel hydrous oxide electrodes for fuel cells and rechargeable batteries

NASA Technical Reports Server (NTRS)

Kim, Sunghyun; Tryk, Donald A.; Scherson, Daniel A.; Antonio, Mark R.

1993-01-01

Electronic and structural aspects of composite nickel-cobalt hydrous oxides have been examined in alkaline solutions using in situ X-ray absorption fine structure (XAFS). The results obtained have indicated that cobalt in this material is present as cobaltic ions regardless of the oxidation state of nickel in the lattice. Furthermore, careful analysis of the Co K-edge Extended X-ray absorption fine structure data reveals that the co-electrodeposition procedure generates a single phase, mixed metal hydrous oxide, in which cobaltic ions occupy nickel sites in the NiO2 sheet-like layers and not two intermixed phases each consisting of a single metal hydrous oxide.

Variations in the fine-structure constant constraining gravity theories

NASA Astrophysics Data System (ADS)

Bezerra, V. B.; Cunha, M. S.; Muniz, C. R.; Tahim, M. O.; Vieira, H. S.

2016-08-01

In this paper, we investigate how the fine-structure constant, α, locally varies in the presence of a static and spherically symmetric gravitational source. The procedure consists in calculating the solution and the energy eigenvalues of a massive scalar field around that source, considering the weak-field regime. From this result, we obtain expressions for a spatially variable fine-structure constant by considering suitable modifications in the involved parameters admitting some scenarios of semi-classical and quantum gravities. Constraints on free parameters of the approached theories are calculated from astrophysical observations of the emission spectra of a white dwarf. Such constraints are finally compared with those obtained in the literature.

Three critical hydrogen bonds determine the catalytic activity of the Diels–Alderase ribozyme

PubMed Central

Kraut, Stefanie; Bebenroth, Dirk; Nierth, Alexander; Kobitski, Andrei Y.; Nienhaus, G. Ulrich; Jäschke, Andres

2012-01-01

Compared to protein enzymes, our knowledge about how RNA accelerates chemical reactions is rather limited. The crystal structures of a ribozyme that catalyzes Diels–Alder reactions suggest a rich tertiary architecture responsible for catalysis. In this study, we systematically probe the relevance of crystallographically observed ground-state interactions for catalytic function using atomic mutagenesis in combination with various analytical techniques. The largest energetic contribution apparently arises from the precise shape complementarity between transition state and catalytic pocket: A single point mutant that folds correctly into the tertiary structure but lacks one H-bond that normally stabilizes the pocket is completely inactive. In the rate-limiting chemical step, the dienophile is furthermore activated by two weak H-bonds that contribute ∼7–8 kJ/mol to transition state stabilization, as indicated by the 25-fold slower reaction rates of deletion mutants. These H-bonds are also responsible for the tight binding of the Diels–Alder product by the ribozyme that causes product inhibition. For high catalytic activity, the ribozyme requires a fine-tuned balance between rigidity and flexibility that is determined by the combined action of one inter-strand H-bond and one magnesium ion. A sharp 360° turn reminiscent of the T-loop motif observed in tRNA is found to be important for catalytic function. PMID:21976731

K 3 Fe(CN) 6 under External Pressure: Dimerization of CN – Coupled with Electron Transfer to Fe(III)

DOE PAGES

Li, Kuo; Zheng, Haiyan; Wang, Lijuan; ...

2015-09-14

The addition polymerization of charged monomers like C≡C 2– and C≡N– is scarcely seen at ambient conditions but can progress under external pressure with their conductivity significantly enhanced, which expands the research field of polymer science to inorganic salts. Moreover, the reaction pressures of transition metal cyanides like Prussian blue and K 3Fe(CN) 6 are much lower than that of alkali cyanides. To figure out the effect of the transition metal on the reaction, the crystal structure and electronic structure of K 3Fe(CN) 6 under external pressure are investigated by in situ neutron diffraction, in situ X-ray absorption fine structuremore » (XAFS), and neutron pair distribution functions (PDF) up to ~15 GPa. The cyanide anions react following a sequence of approaching–bonding–stabilizing. The Fe(III) brings the cyanides closer which makes the bonding progress at a low pressure (2–4 GPa). At ~8 GPa, an electron transfers from the CN to Fe(III), reduces the charge density on cyanide ions, and stabilizes the reaction product of cyanide. Finally, from this study we can conclude that bringing the monomers closer and reducing their charge density are two effective routes to decrease the reaction pressure, which is important for designing novel pressure induced conductor and excellent electrode materials.« less

Steel dust in the New York City subway system as a source of manganese, chromium, and iron exposures for transit workers.

PubMed

Chillrud, Steven N; Grass, David; Ross, James M; Coulibaly, Drissa; Slavkovich, Vesna; Epstein, David; Sax, Sonja N; Pederson, Dee; Johnson, David; Spengler, John D; Kinney, Patrick L; Simpson, H James; Brandt-Rauf, Paul

2005-03-01

The United States Clean Air Act Amendments of 1990 reflected increasing concern about potential effects of low-level airborne metal exposure on a wide array of illnesses. Here we summarize results demonstrating that the New York City (NYC) subway system provides an important microenvironment for metal exposures for NYC commuters and subway workers and also describe an ongoing pilot study of NYC transit workers' exposure to steel dust. Results from the TEACH (Toxic Exposure Assessment, a Columbia and Harvard) study in 1999 of 41 high-school students strongly suggest that elevated levels of iron, manganese, and chromium in personal air samples were due to exposure to steel dust in the NYC subway. Airborne concentrations of these three metals associated with fine particulate matter were observed to be more than 100 times greater in the subway environment than in home indoor or outdoor settings in NYC. While there are currently no known health effects at the airborne levels observed in the subway system, the primary aim of the ongoing pilot study is to ascertain whether the levels of these metals in the subway air affect concentrations of these metals or related metabolites in the blood or urine of exposed transit workers, who due to their job activities could plausibly have appreciably higher exposures than typical commuters. The study design involves recruitment of 40 transit workers representing a large range in expected exposures to steel dust, the collection of personal air samples of fine particulate matter, and the collection of blood and urine samples from each monitored transit worker.

A structural study of bone changes in knee osteoarthritis by synchrotron-based X-ray fluorescence and X-ray absorption spectroscopy techniques

NASA Astrophysics Data System (ADS)

Sindhupakorn, Bura; Thienpratharn, Suwittaya; Kidkhunthod, Pinit

2017-10-01

Osteoarthritis (OA) is characterized by degeneration of articular cartilage and thickening of subchondral bone. The present study investigated the changing of biochemical components of cartilage and bone compared between normal and OA people. Using Synchrotron-based X-ray fluorescence (SR-XRF) and X-ray absorption spectroscopy (XAS) techniquesincluding X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) were employed for the bone changes in kneeosteoarthritisstudies. The bone samples were collected from various osteoarthritis patients with both male and female in the ages range between 20 and 74 years old. SR-XRF results excited at 4240 eV for Ca elements show a majority three main groups, based on their XRF intensities, 20-36 years, 40-60 years and over 70 years, respectively. By employing XAS techniques, XANES features can be used to clearly explain in term of electronic transitions occurring in bone samples which are affected from osteoarthritis symptoms. Moreover, a structural change around Ca ions in bone samples is obviously obtained by EXAFS results indicating an increase of Ca-amorphous phase when the ages increase.

Facile synthesis of multi-shell structured binary metal oxide powders with a Ni/Co mole ratio of 1:2 for Li-Ion batteries

NASA Astrophysics Data System (ADS)

Choi, Seung Ho; Park, Sun Kyu; Lee, Jung-Kul; Kang, Yun Chan

2015-06-01

Multi-shell structured binary transition metal oxide powders with a Ni/Co mole ratio of 1:2 are prepared by a simple spray drying process. Precursor powder particles prepared by spray drying from a spray solution of citric acid and ethylene glycol have completely spherical shape, fine size, and a narrow size distribution. The precursor powders turn into multi-shell powders after a post heat-treatment at temperatures between 250 and 800 °C. The multi-shell structured powders are formed by repeated combustion and contraction processes. The multi-shell powders have mixed crystal structures of Ni1-xCo2O4-x and NiO phases regardless of the post-treatment temperature. The reversible capacities of the powders post-treated at 250, 400, 600, and 800 °C after 100 cycles are 584, 913, 808, and 481 mA h g-1, respectively. The low charge transfer resistance and high lithium ion diffusion rate of the multi-shell powders post-treated at 400 °C with optimum grain size result in superior electrochemical properties even at high current densities.

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

Chesny, D. L.; Oluseyi, H. M.; Orange, N. B.

Ubiquitous solar atmospheric coronal and transition region bright points (BPs) are compact features overlying strong concentrations of magnetic flux. Here, we utilize high-cadence observations from the Atmospheric Imaging Assembly on board the Solar Dynamics Observatory to provide the first observations of extreme ultraviolet quiet-Sun (QS) network BP activity associated with sigmoidal structuring. To our knowledge, this previously unresolved fine structure has never been associated with such small-scale QS events. This QS event precedes a bi-directional jet in a compact, low-energy, and low-temperature environment, where evidence is found in support of the typical fan-spine magnetic field topology. As in active regionsmore » and micro-sigmoids, the sigmoidal arcade is likely formed via tether-cutting reconnection and precedes peak intensity enhancements and eruptive activity. Our QS BP sigmoid provides a new class of small-scale structuring exhibiting self-organized criticality that highlights a multi-scaled self-similarity between large-scale, high-temperature coronal fields and the small-scale, lower-temperature QS network. Finally, our QS BP sigmoid elevates arguments for coronal heating contributions from cooler atmospheric layers, as this class of structure may provide evidence favoring mass, energy, and helicity injections into the heliosphere.« less

Impacts of geochemical and environmental factors on seasonal variation of heavy metals in a coastal lagoon Yucatan, Mexico.

PubMed

Arcega-Cabrera, F; Garza-Pérez, R; Noreña-Barroso, E; Oceguera-Vargas, I

2015-01-01

This study investigated the influence of geochemical and environmental factors on seasonal variation in metals in Yucatan's Chelem lagoon. Anthropogenic activities discharge non-treated wastewater directly into it with detrimental environmental consequences. Accordingly, this study established the spatial and temporal patterns of fine grain sediments and concentrations of heavy metals. Multivariate analyses showed fine grain facies deposition, transition sites dominated by fine grain transport, and fine grain erosion sites. Spatial and temporal variations of heavy metals concentration were significant for Cd, Cu, Cr, and Pb. As, Cd, and Sn were as much as 12 times higher than SQuiRTs standards (Buchman 2008). The results indicate that aquifer water is bringing metals from relatively far inland and releasing them into the lagoon. Thus, it appears that the contamination of this lagoon is highly complex and must take into account systemic connections with inland anthropogenic activates and pollution, as well as local factors.

High resolution stable isotope and carbonate variability during the early Oligocene climate transition: Walvis Ridge (ODP Site 1263)

USGS Publications Warehouse

2007-01-01

resolution reconstruction of the Eocene/Oligocene from the Atlantic basin to date, and provide us with a unique opportunity to investigate the fine-scale interplay of glaciation and the global carbon cycle.

Fine Structure of Diffuse Scattering Rings in Al-Li-Cu Quasicrystal: A Comparative X-ray and Electron Diffraction Study

NASA Astrophysics Data System (ADS)

Donnadieu, P.; Dénoyer, F.

1996-11-01

A comparative X-ray and electron diffraction study has been performed on Al-Li-Cu icosahedral quasicrystal in order to investigate the diffuse scattering rings revealed by a previous work. Electron diffraction confirms the existence of rings but shows that the rings have a fine structure. The diffuse aspect on the X-ray diffraction patterns is then due to an averaging effect. Recent simulations based on the model of canonical cells related to the icosahedral packing give diffractions patterns in agreement with this fine structure effect. Nous comparons les diagrammes de diffraction des rayon-X et des électrons obtenus sur les mêmes échantillons du quasicristal icosaèdrique Al-Li-Cu. Notre but est d'étudier les anneaux de diffusion diffuse mis en évidence par un travail précédent. Les diagrammes de diffraction électronique confirment la présence des anneaux mais ils montrent aussi que ces anneaux possèdent une structure fine. L'aspect diffus des anneaux révélés par la diffraction des rayons X est dû à un effet de moyenne. Des simulations récentes basées sur la décomposition en cellules canoniques de l'empilement icosaédrique produisent des diagrammes de diffraction en accord avec ces effects de structure fine.

Local Fine Structural Insight into Mechanism of Electrochemical Passivation of Titanium.

PubMed

Wang, Lu; Yu, Hongying; Wang, Ke; Xu, Haisong; Wang, Shaoyang; Sun, Dongbai

2016-07-20

Electrochemically formed passive film on titanium in 1.0 M H2SO4 solution and its thickness, composition, chemical state, and local fine structure are examined by Auger electron spectroscopy (AES), X-ray photoelectron spectroscopy (XPS), and X-ray absorption fine structure. AES analysis reveals that the thickness and composition of oxide film are proportional to the reciprocal of current density in potentiodynamic polarization. XPS depth profiles of the chemical states of titanium exhibit the coexistence of various valences cations in the surface. Quantitative X-ray absorption near edge structure analysis of the local electronic structure of the topmost surface (∼5.0 nm) shows that the ratio of [TiO2]/[Ti2O3] is consistent with that of passivation/dissolution of electrochemical activity. Theoretical calculation and analysis of extended X-ray absorption fine structure spectra at Ti K-edge indicate that both the structures of passivation and dissolution are distorted caused by the appearance of two different sites of Ti-O and Ti-Ti. And the bound water in the topmost surface plays a vital role in structural disorder confirmed by XPS. Overall, the increase of average Ti-O coordination causes the electrochemical passivation, and the dissolution is due to the decrease of average Ti-Ti coordination. The structural variations of passivation in coordination number and interatomic distance are in good agreement with the prediction of point defect model.

Theory and Experiment of Multielement Airfoils: A Comparison

NASA Technical Reports Server (NTRS)

Czerwiec, Ryan; Edwards, J. R.; Rumsey, C. L.; Hassan, H. A.

2000-01-01

A detailed comparison of computed and measured pressure distributions, velocity profiles, transition onset, and Reynolds shear stresses for multi-element airfoils is presented. It is shown that the transitional k-zeta model, which is implemented into CFL3D, does a good job of predicting pressure distributions, transition onset, and velocity profiles with the exception of velocities in the slat wake region. Considering the fact that the hot wire used was not fine enough to resolve Reynolds stresses in the boundary layer, comparisons of turbulence stresses varied from good to fair. It is suggested that the effects of unsteadiness be thoroughly evaluated before more complicated transition/turbulence models are used. Further, it is concluded that the present work presents a viable and economical method for calculating laminar/transitional/turbuient flows over complex shapes without user interface.