Light-induced picosecond rotational disordering of the inorganic sublattice in hybrid perovskites

DOE PAGES

Wu, Xiaoxi; Tan, Liang Z.; Shen, Xiaozhe; ...

2017-07-26

Femtosecond resolution electron scattering techniques are applied to resolve the first atomic-scale steps following absorption of a photon in the prototypical hybrid perovskite methylammonium lead iodide. Following above-gap photoexcitation, we directly resolve the transfer of energy from hot carriers to the lattice by recording changes in the mean square atomic displacements on 10-ps time scales. Measurements of the time-dependent pair distribution function show an unexpected broadening of the iodine-iodine correlation function while preserving the Pb-I distance. This indicates the formation of a rotationally disordered halide octahedral structure developing on picosecond time scales. Here, this work shows the important role ofmore » light-induced structural deformations within the inorganic sublattice in elucidating the unique optoelectronic functionality exhibited by hybrid perovskites and provides new understanding of hot carrier-lattice interactions, which fundamentally determine solar cell efficiencies.« less

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

Electrically-Generated Spin Polarization in Non-Magnetic Semiconductors

DTIC Science & Technology

2016-03-31

resolved Faraday rotation data due to electron spin polarization from previous pump pulses was characterized, and an analytic solution for this phase...electron spin polarization was shown to produce nuclear hyperpolarization through dynamic nuclear polarization. Time-resolved Faraday rotation...Distribution approved for public release. 3    Figure 3. Total magnetic field measured using time-resolved Faraday rotation with the electrically

Infrared Photodissociation Spectroscopy of Metal Ion -WATER Complexes

NASA Astrophysics Data System (ADS)

Bandyopadhyay, B.; Carnegie, P. D.; Duncan, M. A.

2011-06-01

Metal ion-water complexes are produced in a supersonic expansion cluster source via laser vaporization technique. Infrared photodissociation spectroscopy has been performed in the O-H stretch region. DFT calculations have also been carried out to obtain the structures and vibrational frequencies. Infrared spectra show partially resolved rotational structures which will be analyzed.

Photoisomerization and photodissociation dynamics of reactive free radicals

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

Bise, Ryan T.

2000-08-01

The photofragmentation pathways of chemically reactive free radicals have been examined using the technique of fast beam photofragment translational spectroscopy. Measurements of the photodissociation cross-sections, product branching ratios, product state energy distributions, and angular distributions provide insight into the excited state potential energy surfaces and nonadiabatic processes involved in the dissociation mechanisms. Photodissociation spectroscopy and dynamics of the predissociativemore » $$\\tilde{A}$$ 2A 1 and $$\\tilde{B}$$ 2A 2 states of CH 3S have been investigated. At all photon energies, CH 3 + S( 3P j), was the main reaction channel. The translational energy distributions reveal resolved structure corresponding to vibrational excitation of the CH 3 umbrella mode and the S( 3P j) fine-structure distribution from which the nature of the coupled repulsive surfaces is inferred. Dissociation rates are deduced from the photofragment angular distributions, which depend intimately on the degree of vibrational excitation in the C-S stretch. Nitrogen combustion radicals, NCN, CNN and HNCN have also been studied. For all three radicals, the elimination of molecular nitrogen is the primary reaction channel. Excitation to linear excited triplet and singlet electronic states of the NCN radical generates resolved vibrational structure of the N 2 photofragment. The relatively low fragment rotational excitation suggests dissociation via a symmetric C 2V transition state. Resolved vibrational structure of the N 2 photofragment is also observed in the photodissociation of the HNCN radical. The fragment vibrational and rotational distributions broaden with increased excitation energy. Simple dissociation models suggest that the HNCN radical isomerizes to a cyclic intermediate (c-HCNN) which then dissociates via a tight cyclic transition state. In contrast to the radicals mentioned above, resolved vibrational structure was not observed for the ICNN radical due to extensive fragment rotational excitation, suggesting that intermediate bent states are strongly coupled along the dissociation pathway. The measurements performed in this Thesis have additionally refined the heats of formation and bond dissociation energies of these radicals and have unambiguously confirmed and added to the known electronic spectroscopy.« less

Photoionization dynamics of ammonia (B(1)E''): dependence on ionizing photon energy and initial vibrational level.

PubMed

Hockett, Paul; Staniforth, Michael; Reid, Katharine L

2010-10-28

In this article we present photoelectron spectra and angular distributions in which ion rotational states are resolved. This data enables the comparison of direct and threshold photoionization techniques. We also present angle-resolved photoelectron signals at different total energies, providing a method to scan the structure of the continuum in the near-threshold region. Finally, we have studied the influence of vibrational excitation on the photoionization dynamics.

Rotational spectroscopy of antipyretics: Conformation, structure, and internal dynamics of phenazone

NASA Astrophysics Data System (ADS)

Écija, Patricia; Cocinero, Emilio J.; Lesarri, Alberto; Fernández, José A.; Caminati, Walther; Castaño, Fernando

2013-03-01

The conformational and structural preferences of phenazone (antipyrine), the prototype of non-opioid pyrazolone antipyretics, have been probed in a supersonic jet expansion using rotational spectroscopy. The conformational landscape of the two-ring assembly was first explored computationally, but only a single conformer was predicted, with the N-phenyl and N-methyl groups on opposite sides of the pyrazolone ring. Consistently, the microwave spectrum evidenced a rotational signature arising from a single molecular structure. The spectrum exhibited very complicated fine and hyperfine patterns (not resolvable with any other spectroscopic technique) originated by the simultaneous coupling of the methyl group internal rotation and the spins of the two 14N nuclei with the overall rotation. The internal rotation tunnelling was ascribed to the C-CH3 group and the barrier height established experimentally (7.13(10) kJ mol-1). The internal rotation of the N-CH3 group has a lower limit of 9.4 kJ mol-1. The structure of the molecule was determined from the rotational parameters, with the phenyl group elevated ca. 25° with respect to the average plane of the pyrazolic moiety and a phenyl torsion of ca. 52°. The origin of the conformational preferences is discussed in terms of the competition between intramolecular C-H⋯N and C-H⋯O weak hydrogen bonds.

Analysis of Rotationally Resolved Spectra to Non-Degenerate (a''_1) Upper-State Vibronic Levels in the tilde{A} ^2E''-tilde{X}^2A^'_2 Electronic Transition of NO_3

NASA Astrophysics Data System (ADS)

Roudjane, Mourad; Codd, Terrance Joseph; Chen, Ming-Wei; Tran, Henry; Melnik, Dmitry G.; Miller, Terry A.; Stanton, John F.

2015-06-01

The vibronic structure of the tilde{A}-tilde{X} electronic spectrum of NO_3 has been observed using both room-temperature and jet-cooled samples. A recent analysis of this structure is consistent with the Jahn-Teller effect (JTE) in the e^' ν_3 vibrational mode (N-O stretch) being quite strong while the JTE in the e^' ν_4 mode (O-N-O) bend) is rather weak. Electronic structure calculations qualitatively predict these results but the calculated magnitude of the JTE is quantitatively inconsistent with the spectral analysis. Rotationally resolved spectra have been obtained for over a dozen vibronic bands of the tilde{A}-tilde{X} electronic transition in NO_3. An analysis of these spectra should provide considerably more experimental information about the JTE in the tilde{A} state of NO_3 as the rotational structure should be quite sensitive to the geometric distortion of the molecule due to the JTE. This talk will focus upon the parallel bands, which terminate on tilde{A} state levels of a''_1 vibronic symmetry, which were the subject of a preliminary analysis reported at this meeting in 2014. We have now recorded the rotational structure of over a half-dozen parallel bands and have completed analysis on the 3^1_0 and 3^1_0 4^1_0 transitions with several other bands being reasonably well understood. Two general conclusions emerge from this work. (i) All the spectral bands show evidence of perturbations which can reasonably be assumed to result from interactions of the observed tilde{A} state levels with high vibrational levels of the tilde{X} state. The perturbations range from severe in some bands to quite modest in others. (ii) Analyses of observed spectra, insofar as the perturbations permit, have all been performed with an oblate symmetric top model including only additional spin-rotation effects. This result is, of course, consistent with an effective, undistorted geometry for NO_3 of D3h symmetry on the rotational timescale.

Precision Spectroscopy in Cold Molecules: The Lowest Rotational Interval of He2 + and Metastable He2

NASA Astrophysics Data System (ADS)

Jansen, Paul; Semeria, Luca; Hofer, Laura Esteban; Scheidegger, Simon; Agner, Josef A.; Schmutz, Hansjürg; Merkt, Frédéric

2015-09-01

Multistage Zeeman deceleration was used to generate a slow, dense beam of translationally cold He2 molecules in the metastable a 3Σu+ state. Precision measurements of the Rydberg spectrum of these molecules at high values of the principal quantum number n have been carried out. The spin-rotational state selectivity of the Zeeman-deceleration process was exploited to reduce the spectral congestion, minimize residual Doppler shifts, resolve the Rydberg series around n =200 and assign their fine structure. The ionization energy of metastable He2 and the lowest rotational interval of the X+ 2Σu+ (ν+=0 ) ground state of 4He2+ have been determined with unprecedented precision and accuracy by Rydberg-series extrapolation. Comparison with ab initio predictions of the rotational energy level structure of 4He2+ [W.-C. Tung, M. Pavanello, and L. Adamowicz, J. Chem. Phys. 136, 104309 (2012)] enabled us to quantify the magnitude of relativistic and quantum-electrodynamics contributions to the fundamental rotational interval of He2+ .

Cylindrical surface profile and diameter measuring tool and method

NASA Technical Reports Server (NTRS)

Currie, James R. (Inventor); Kissel, Ralph R. (Inventor); Smith, Earnest C. (Inventor); Oliver, Charles E. (Inventor); Redmon, John W., Sr. (Inventor); Wallace, Charles C. (Inventor); Swanson, Charles P. (Inventor)

1987-01-01

A tool is shown having a cross beam assembly made of beams joined by a center box structure. The assembly is adapted to be mounted by brackets to the outer end of a cylindrical case. The center box structure has a vertical shaft rotatably mounted therein and extending beneath the assembly. Secured to the vertical shaft is a radius arm which is adapted to rotate with the shaft. On the longer end of the radius arm is a measuring tip which contacts the cylindrical surface to be measured and which provides an electric signal representing the radius of the cylindrical surface from the center of rotation of the radius arm. An electric servomotor rotates the vertical shaft and an electronic resolver provides an electric signal representing the angle of rotation of the shaft. The electric signals are provided to a computer station which has software for its computer to calculate and print out the continuous circumference profile of the cylindrical surface, and give its true diameter and the deviations from the ideal circle.

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

Gas-Phase Structures of Linalool and Coumarin Studied by Microwave Spectroscopy

NASA Astrophysics Data System (ADS)

Nguyen, H. V. L.; Stahl, W.; Grabow, J.-U.

2013-06-01

The microwave spectra of two natural substances, linalool and coumarin, were recorded in the microwave range from 9 to 16 GHz and 8.5 to 10.5 GHz, respectively.Linalool is an acyclic monoterpene and the main component of lavender oil. It has a structure with many possible conformations. The geometry of the lowest energy conformer has been determined by a combination of microwave spectroscopy and quantum chemical calculations. Surprisingly, a globular rather than a prolate shape was found. This structure is probably stabilized by a π interaction between two double bonds which are arranged in two stacked layers of atoms within the molecule. A-E splittings due to the internal rotation of one methyl group could be resolved and the barrier to internal rotation was determined to be 400.20(64) cm^{-1}. The standard deviation of the fit was close to experimental accuracy. For an identification of the observed conformer not only the rotational constants but also the internal rotation parameters of one of the methyl groups were needed. Coumarin is a widely used flavor in perfumery as sweet woodruff scent. The aromatic structure allows solely for one planar conformer, which was found under molecular beam conditions and compared to other molecules with similar structures. Here, the rotational spectrum could be described by a set of parameters including the rotational constants and the centrifugal distortion constants using a semi-rigid molecule Hamiltonian. Furthermore, the rotational transitions of all nine ^{13}C isotopologues were measured in natural abundance. As a consequence, the microwave structure of coumarin could be almost completely determined.

Intense pumping and time- and frequency-resolved CARS for driving and tracking structural deformation and recovery of liquid nitromethane molecules

NASA Astrophysics Data System (ADS)

Wang, Chang; Wu, Hong-lin; Song, Yun-fei; He, Xing; Yang, Yan-qiang; Tan, Duo-wang

2015-11-01

A modified CARS technique with an intense nonresonant femtosecond laser is presented to drive the structural deformation of liquid nitromethane molecules and track their structural relaxation process. The CARS spectra reveal that the internal rotation of the molecule can couple with the CN symmetric stretching vibration and the molecules undergo ultrafast structural deformation of the CH3 groups from 'opened umbrella' to 'closed umbrella' shape, and then experience a structural recovery process within 720 fs.

Nuclear Hyperfine Structure in the Donor – Acceptor Complexes (CH3)3N-BF3 and (CH)33N-B(CH3)3

EPA Science Inventory

The donor-acceptor complexes (CH3)3N-BF3 and (CH3)3N-B(CH3)3 have been reinvestigated at high resolution by rotational spectroscopy in a supersonic jet. Nuclear hyperfine structure resulting from both nitrogen and boron has been resolved and quadrupole coupling constants have bee...

Quadrupole splittings in the near-infrared spectrum of 14NH 3

DOE PAGES

Twagirayezu, Sylvestre; Hall, Gregory E.; Sears, Trevor J.

2016-10-13

Sub-Doppler, saturation dip, spectra of lines in the v 1 + v 3, v 1 + 2v 4 and v 3 + 2v 4 bands of 14NH 3 have been measured by frequency comb-referenced diode laser absorption spectroscopy. The observed spectral line widths are dominated by transit time broadening, and show resolved or partially-resolved hyperfine splittings that are primarily determined by the 14N quadrupole coupling. Modeling of the observed line shapes based on the known hyperfine level structure of the ground state of the molecule shows that, in nearly all cases, the excited state level has hyperfine splittings similar tomore » the same rotational level in the ground state. The data provide accurate frequencies for the line positions and easily separate lines overlapped in Doppler-limited spectra. The observed hyperfine splittings can be used to make and confirm rotational assignments and ground state combination differences obtained from the measured frequencies are comparable in accuracy to those obtained from conventional microwave spectroscopy. Furthermore, several of the measured transitions do not show the quadrupole hyperfine splittings expected based on their existing rotational assignments. Either the assignments are incorrect or the upper levels involved are perturbed in a way that affects the nuclear hyperfine structure.« less

Turbulent structures in cylindrical density currents in a rotating frame of reference

NASA Astrophysics Data System (ADS)

Salinas, Jorge S.; Cantero, Mariano I.; Dari, Enzo A.; Bonometti, Thomas

2018-06-01

Gravity currents are flows generated by the action of gravity on fluids with different densities. In some geophysical applications, modeling such flows makes it necessary to account for rotating effects, modifying the dynamics of the flow. While previous works on rotating stratified flows focused on currents of large Coriolis number, the present work focuses on flows with small Coriolis numbers (i.e. moderate-to-large Rossby numbers). In this work, cylindrical rotating gravity currents are investigated by means of highly resolved simulations. A brief analysis of the mean flow evolution to the final state is presented to provide a complete picture of the flow dynamics. The numerical results, showing the well-known oscillatory behavior of the flow (inertial waves) and a final state lens shape (geostrophic adjustment), are in good agreement with experimental observations and theoretical models. The turbulent structures in the flow are visualized and described using, among others, a stereoscopic visualization and videos as supplementary material. In particular, the structure of the lobes and clefts at the front of the current is presented in association to local turbulent structures. In rotating gravity currents, the vortices observed at the lobes front are not of hairpin type but are rather of Kelvin-Helmholtz type.

Resolved magnetic-field structure and variability near the event horizon of Sagittarius A.

PubMed

Johnson, Michael D; Fish, Vincent L; Doeleman, Sheperd S; Marrone, Daniel P; Plambeck, Richard L; Wardle, John F C; Akiyama, Kazunori; Asada, Keiichi; Beaudoin, Christopher; Blackburn, Lindy; Blundell, Ray; Bower, Geoffrey C; Brinkerink, Christiaan; Broderick, Avery E; Cappallo, Roger; Chael, Andrew A; Crew, Geoffrey B; Dexter, Jason; Dexter, Matt; Freund, Robert; Friberg, Per; Gold, Roman; Gurwell, Mark A; Ho, Paul T P; Honma, Mareki; Inoue, Makoto; Kosowsky, Michael; Krichbaum, Thomas P; Lamb, James; Loeb, Abraham; Lu, Ru-Sen; MacMahon, David; McKinney, Jonathan C; Moran, James M; Narayan, Ramesh; Primiani, Rurik A; Psaltis, Dimitrios; Rogers, Alan E E; Rosenfeld, Katherine; SooHoo, Jason; Tilanus, Remo P J; Titus, Michael; Vertatschitsch, Laura; Weintroub, Jonathan; Wright, Melvyn; Young, Ken H; Zensus, J Anton; Ziurys, Lucy M

2015-12-04

Near a black hole, differential rotation of a magnetized accretion disk is thought to produce an instability that amplifies weak magnetic fields, driving accretion and outflow. These magnetic fields would naturally give rise to the observed synchrotron emission in galaxy cores and to the formation of relativistic jets, but no observations to date have been able to resolve the expected horizon-scale magnetic-field structure. We report interferometric observations at 1.3-millimeter wavelength that spatially resolve the linearly polarized emission from the Galactic Center supermassive black hole, Sagittarius A*. We have found evidence for partially ordered magnetic fields near the event horizon, on scales of ~6 Schwarzschild radii, and we have detected and localized the intrahour variability associated with these fields. Copyright © 2015, American Association for the Advancement of Science.

Measurement of wood/plant cell or composite material attributes with computer assisted tomography

DOEpatents

West, Darrell C.; Paulus, Michael J.; Tuskan, Gerald A.; Wimmer, Rupert

2004-06-08

A method for obtaining wood-cell attributes from cellulose containing samples includes the steps of radiating a cellulose containing sample with a beam of radiation. Radiation attenuation information is collected from radiation which passes through the sample. The source is rotated relative to the sample and the radiation and collecting steps repeated. A projected image of the sample is formed from the collected radiation attenuation information, the projected image including resolvable features of the cellulose containing sample. Cell wall thickness, cell diameter (length) and cell vacoule diameter can be determined. A system for obtaining physical measures from cellulose containing samples includes a radiation source, a radiation detector, and structure for rotating the source relative to said sample. The system forms an image of the sample from the radiation attenuation information, the image including resolvable features of the sample.

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)].

The ethyl radical in superfluid helium nanodroplets: Rovibrational spectroscopy and ab initio computations

DOE PAGES

Raston, Paul L.; Agarwal, Jay; Turney, Justin M.; ...

2013-05-15

The ethyl radical has been isolated and spectroscopically characterized in 4He nanodroplets. The band origins of the five CH stretch fundamentals are shifted by < 2 cm –1 from those reported for the gas phase species. The symmetric CH 2 stretching band (v 1) is rotationally resolved, revealing nuclear spin statistical weights predicted by G 12 permutation-inversion group theory. A permanent electric dipole moment of 0.28 (2) D is obtained via the Stark spectrum of the v 1 band. The four other CH stretch fundamental bands are significantly broadened in He droplets and lack rotational fine structure. This broadening ismore » attributed to symmetry dependent vibration-to-vibration relaxation facilitated by the He droplet environment. In addition to the five fundamentals, three a 1' overtone/combination bands are observed, and each of these have resolved rotational substructure. As a result, these are assigned to the 2v 12, v 4 + v 6, and 2v 6 bands through comparisons to anharmonic frequency computations at the CCSD(T)/cc-pVTZ level of theory.« less

Spin-orbit-coupled Bose-Einstein condensates of rotating polar molecules

NASA Astrophysics Data System (ADS)

Deng, Y.; You, L.; Yi, S.

2018-05-01

An experimental proposal for realizing spin-orbit (SO) coupling of pseudospin 1 in the ground manifold 1Σ (υ =0 ) of (bosonic) bialkali polar molecules is presented. The three spin components are composed of the ground rotational state and two substates from the first excited rotational level. Using hyperfine resolved Raman processes through two select excited states resonantly coupled by a microwave, an effective coupling between the spin tensor and linear momentum is realized. The properties of Bose-Einstein condensates for such SO-coupled molecules exhibiting dipolar interactions are further explored. In addition to the SO-coupling-induced stripe structures, the singly and doubly quantized vortex phases are found to appear, implicating exciting opportunities for exploring novel quantum physics using SO-coupled rotating polar molecules with dipolar interactions.

Two new isobenzofuranone derivatives from the fruiting bodies of Hericium erinaceus.

PubMed

Li, Jing; Wang, Xu-Li; Li, Guang; Xu, Ping-Sheng; Xu, Kang-Ping; Tan, Gui-Shan

2017-11-01

Two new isobenzofuranone derivatives erinaceolactones G and H (1 and 2) were isolated from the ethanolic extract of fruiting bodies of Hericium erinaceus. Their structures were characterized on the basis of spectroscopic evidences. Compound 2 was suggested to be racemic by specific rotation, which was resolved by chiral HPLC into enantiomers.

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

Chartrand, A. M.; McCormack, E. F.; Jacovella, U.

The single-photon, photoelectron-photoion coincidence spectrum of N 2 has been recorded at high (~1.5 cm -1) resolution in the region between the N 2 + X 2Σ g +, v + = 0 and 1 ionization thresholds by using a double imaging spectrometer and intense vacuum-ultraviolet light from the Synchrotron SOLEIL. This approach provides the relative photoionization cross section, the photoelectron energy distribution, and the photoelectron angular distribution as a function of photon energy. The region of interest contains autoionizing valence states, vibrationally autoionizing Rydberg states converging to vibrationally excited levels of the N 2 + X 2Σ g +more » ground state, and electronically autoionizing states converging to the N 2 + A 2Π and B 2Σ u + states. The wavelength resolution is sufficient to resolve rotational structure in the autoionizing states, but the electron energy resolution is insufficient to resolve rotational structure in the photoion spectrum. Here, a simplified approach based on multichannel quantum defect theory is used to predict the photoelectron angular distribution parameters, β, and the results are in reasonably good agreement with experiment.« less

Palaeomagnetic evidence for post-thrusting tectonic rotation in the Southeast Pyrenees, Spain

NASA Astrophysics Data System (ADS)

Keller, P.; Lowrie, W.; Gehring, A. U.

1994-12-01

The structural framework of the Southeast Pyrenees led to two conflicting interpretations—thrust tectonics vs. wrench tectonics—to explain the geometry of this mountain range. In the present study palaeomagnetic data are presented in an attempt to resolve this conflict. The data reveal different magnetisation directions that indicate tectonic rotations about vertical axes. By means of a regionally homogeneous pattern of rotation, three tectonic units could be distinguished in the Southeast Pyrenees. The Internal Unit in the north reveals no rotation since the Permian. The External Unit to the south shows anticlockwise rotation of 25°, younger than the Early Oligocene. The Pedraforca Unit, placed on the External Unit, shows 57° clockwise rotation which can be assigned to the Neogene. The anticlockwise rotation of the External Unit can be explained by differential compression during the last phase of Pyrenean thrusting, whereas the clockwise rotation of the Pedraforca Unit can be interpreted by post-thrusting tectonics. The rotation pattern of the Southeast Pyrenees provides evidence for both Cretaceous to Paleogene N-S compression and Neogene right-lateral wrench tectonics.

Rotational homogeneity in graphene grown on Au(111)

NASA Astrophysics Data System (ADS)

Wofford, Joseph; Starodub, Elena; Walter, Andrew; Nie, Shu; Bostwick, Aaron; Bartelt, Norman; Thürmer, Konrad; Rotenberg, Eli; McCarty, Kevin; Dubon, Oscar

2012-02-01

The set of properties offered by the (111) surface of gold makes it intriguing as a platform on which to study the fundamental processes that underpin graphene growth on metals. Among these are the low carbon solubility and an interaction strength with graphene that is predicted to be smaller than most transition metals. We have investigated this synthesis process using low-energy electron microscopy and diffraction to monitor the sample surface in real time, and found that the resulting graphene film possesses a remarkable degree of rotational homogeneity. The dominant orientation of the graphene is aligned with the Au lattice, with a small minority rotated by 30 degrees. The origins of this in-plane structuring are puzzling because angularly resolved photo-emission spectroscopy and scanning tunneling microscopy experiments both suggest only a relatively small interaction between the two materials. Finally, the implications of these findings for the growth of high structural-quality graphene films are discussed.

Sucralose Destabilization of Protein Structure.

PubMed

Chen, Lee; Shukla, Nimesh; Cho, Inha; Cohn, Erin; Taylor, Erika A; Othon, Christina M

2015-04-16

Sucralose is a commonly employed artificial sweetener that behaves very differently than its natural disaccharide counterpart, sucrose, in terms of its interaction with biomolecules. The presence of sucralose in solution is found to destabilize the native structure of two model protein systems: the globular protein bovine serum albumin and an enzyme staphylococcal nuclease. The melting temperature of these proteins decreases as a linear function of sucralose concentration. We correlate this destabilization to the increased polarity of the molecule. The strongly polar nature is manifested as a large dielectric friction exerted on the excited-state rotational diffusion of tryptophan using time-resolved fluorescence anisotropy. Tryptophan exhibits rotational diffusion proportional to the measured bulk viscosity for sucrose solutions over a wide range of concentrations, consistent with a Stokes-Einstein model. For sucralose solutions, however, the diffusion is dependent on the concentration, strongly diverging from the viscosity predictions, and results in heterogeneous rotational diffusion.

The hyperfine structure in the rotational spectra of D{sub 2}{sup 17}O and HD{sup 17}O: Confirmation of the absolute nuclear magnetic shielding scale for oxygen

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

Puzzarini, Cristina, E-mail: cristina.puzzarini@unibo.it; Cazzoli, Gabriele; Harding, Michael E.

2015-03-28

Guided by theoretical predictions, the hyperfine structures of the rotational spectra of mono- and bideuterated-water containing {sup 17}O have been experimentally investigated. To reach sub-Doppler resolution, required to resolve the hyperfine structure due to deuterium quadrupole coupling as well as to spin-rotation (SR) and dipolar spin-spin couplings, the Lamb-dip technique has been employed. The experimental investigation and in particular, the spectral analysis have been supported by high-level quantum-chemical computations employing coupled-cluster techniques and, for the first time, a complete experimental determination of the hyperfine parameters involved was possible. The experimentally determined {sup 17}O spin-rotation constants of D{sub 2}{sup 17}O andmore » HD{sup 17}O were used to derive the paramagnetic part of the corresponding nuclear magnetic shielding constants. Together with the computed diamagnetic contributions as well as the vibrational and temperature corrections, the latter constants have been employed to confirm the oxygen nuclear magnetic shielding scale, recently established on the basis of spin-rotation data for H{sub 2}{sup 17}O [Puzzarini et al., J. Chem. Phys. 131, 234304 (2009)].« less

A Causal Role for V5/MT Neurons Coding Motion-Disparity Conjunctions in Resolving Perceptual Ambiguity

PubMed Central

Krug, Kristine; Cicmil, Nela; Parker, Andrew J.; Cumming, Bruce G.

2013-01-01

Summary Judgments about the perceptual appearance of visual objects require the combination of multiple parameters, like location, direction, color, speed, and depth. Our understanding of perceptual judgments has been greatly informed by studies of ambiguous figures, which take on different appearances depending upon the brain state of the observer. Here we probe the neural mechanisms hypothesized as responsible for judging the apparent direction of rotation of ambiguous structure from motion (SFM) stimuli. Resolving the rotation direction of SFM cylinders requires the conjoint decoding of direction of motion and binocular depth signals [1, 2]. Within cortical visual area V5/MT of two macaque monkeys, we applied electrical stimulation at sites with consistent multiunit tuning to combinations of binocular depth and direction of motion, while the monkey made perceptual decisions about the rotation of SFM stimuli. For both ambiguous and unambiguous SFM figures, rotation judgments shifted as if we had added a specific conjunction of disparity and motion signals to the stimulus elements. This is the first causal demonstration that the activity of neurons in V5/MT contributes directly to the perception of SFM stimuli and by implication to decoding the specific conjunction of disparity and motion, the two different visual cues whose combination drives the perceptual judgment. PMID:23871244

Servomotor and Controller Having Large Dynamic Range

NASA Technical Reports Server (NTRS)

Alhorn, Dean C.; Howard, David E.; Smith, Dennis A.; Dutton, Ken; Paulson, M. Scott

2007-01-01

A recently developed micro-commanding rotational-position-control system offers advantages of less mechanical complexity, less susceptibility to mechanical resonances, less power demand, less bulk, less weight, and lower cost, relative to prior rotational-position-control systems based on stepping motors and gear drives. This system includes a digital-signal- processor (DSP)-based electronic controller, plus a shaft-angle resolver and a servomotor mounted on the same shaft. Heretofore, micro-stepping has usually been associated with stepping motors, but in this system, the servomotor is micro-commanded in response to rotational-position feedback from the shaft-angle resolver. The shaft-angle resolver is of a four-speed type chosen because it affords four times the resolution of a single-speed resolver. A key innovative aspect of this system is its position-feedback signal- conditioning circuits, which condition the resolver output signal for multiple ranges of rotational speed. In the preferred version of the system, two rotational- speed ranges are included, but any number of ranges could be added to expand the speed range or increase resolution in particular ranges. In the preferred version, the resolver output is conditioned with two resolver-to-digital converters (RDCs). One RDC is used for speeds from 0.00012 to 2.5 rpm; the other RDC is used for speeds of 2.5 to 6,000 rpm. For the lower speed range, the number of discrete steps of RDC output per revolution was set at 262,144 (4 quadrants at 16 bits per quadrant). For the higher speed range, the number of discrete steps per revolution was set at 4,096 (4 quadrants at 10 bits per quadrant).

High Resolution Direct Frequency Comb Spectroscopy of Vinyl Bromide (C_2H_3Br) and Nitromethane (CH_3NO_2) in the CH Stretch Region

NASA Astrophysics Data System (ADS)

Changala, Bryan; Spaun, Ben; Patterson, David; Ye, Jun

2016-06-01

We present high resolution rovibrational spectra of buffer gas cooled vinyl bromide (C_2H_3Br) and nitromethane (CH_3NO_2) in the 3 μm CH stretch region, acquired via cavity-enhanced direct frequency comb absorption spectroscopy. The ˜10 K translational and rotational temperatures of the molecular gas, as well as the narrow linewidth of the frequency comb, yield well resolved rotational structure, isotope shifts, and nuclear hyperfine splittings. Given the wide bandwidth of the light source and the long path length of the enhancement cavity, we measure entire vibrational bands in a single shot with high signal-to-noise ratios. We discuss spectra of the entire fundamental CH stretch manifolds of both C_2H_3Br and CH_3NO_2, which provide contrasting examples of rovibrational structure of rigid and non-rigid systems. C_2H_3Br is a relatively normal asymmetric top, exhibiting local perturbations to its rotational structure. Conversely, CH_3NO_2 contains an essentially unhindered methyl rotor. Of particular interest are its quasi-degenerate asymmetric CH stretch modes. Here, one must consider multiple couplings between torsional, rotational, and vibrational angular momentum, leading to qualitatively new level patterns and structure.

Butterfly deformation modes in a photoexcited pyrazolate-bridged Pt complex measured by time-resolved x-ray scattering in solution

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

Haldrup, Kristoffer; Dohn, Asmus O.; Shelby, Megan L.

2016-08-27

Pyrazolate-bridged di-nuclear Pt complexes represent a series of molecules with tunable absorption and emission properties that can be directly modulated by structural factors, such as the Pt-Pt distance. However, direct experimental information regarding the structure of the emissive triplet excited state has remained scarce. Using time-resolved wide angle X-ray scattering (WAXS), the molecular structure of the triplet excited state for one of the complexes [Pt(ppy)(μ-tBu 2pz)] 2 was obtained in a dilute (0.5 mM) toluene solution utilizing the monochromatic X-ray beamline 11IDD of the Advanced Photon Source. The excited state structural analysis was carried out based on the results frommore » both transient WAXS measurements and DFT calculations to shed light on the primary structural changes, in particular the Pt-Pt distance and ligand rotation taking place following the photo-excitation of [Pt(ppy)(μ-tBu 2pz)] 2 in toluene solution. We find that in the triplet excited state a pronounced contraction along the Pt-Pt axis has taken place accompanied by rotational motions of ppy ligands toward one another. Our results suggest that the contraction is larger than what has previously been reported, but are in good agreement with recent theoretical efforts and suggest the ppy moieties as targets for rational synthesis aimed at tuning the excited-state structure and properties« less

Time-Resolved Intrafraction Target Translations and Rotations During Stereotactic Liver Radiation Therapy: Implications for Marker-based Localization Accuracy

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

Bertholet, Jenny, E-mail: jennbe@rm.dk; Worm, Esben S.; Fledelius, Walther

Purpose: Image guided liver stereotactic body radiation therapy (SBRT) often relies on implanted fiducial markers. The target localization accuracy decreases with increased marker-target distance. This may occur partly because of liver rotations. The aim of this study was to examine time-resolved translations and rotations of liver marker constellations and investigate if time-resolved intrafraction rotational corrections can improve localization accuracy in liver SBRT. Methods and Materials: Twenty-nine patients with 3 implanted markers received SBRT in 3 to 6 fractions. The time-resolved trajectory of each marker was estimated from the projections of 1 to 3 daily cone beam computed tomography scans andmore » used to calculate the translation and rotation of the marker constellation. In all cone beam computed tomography projections, the time-resolved position of each marker was predicted from the position of another surrogate marker by assuming that the marker underwent either (1) the same translation as the surrogate marker; or (2) the same translation as the surrogate marker corrected by the rotation of the marker constellation. The localization accuracy was quantified as the root-mean-square error (RMSE) between the estimated and the actual marker position. For comparison, the RMSE was also calculated when the marker's position was estimated as its mean position for all the projections. Results: The mean translational and rotational range (2nd-98th percentile) was 2.0 mm/3.9° (right-left), 9.2 mm/2.9° (superior-inferior), 4.0 mm/4.0° (anterior-posterior), and 10.5 mm (3-dimensional). Rotational corrections decreased the mean 3-dimensional RMSE from 0.86 mm to 0.54 mm (P<.001) and halved the RMSE increase per millimeter increase in marker distance. Conclusions: Intrafraction rotations during liver SBRT reduce the accuracy of marker-guided target localization. Rotational correction can improve the localization accuracy with a factor of approximately 2 for large marker-target distances.« less

Cylindrical surface profile and diameter measuring tool and method

NASA Technical Reports Server (NTRS)

Currie, James R. (Inventor); Kissel, Ralph R. (Inventor); Oliver, Charles E. (Inventor); Smith, Earnest C. (Inventor); Redmon, John W. (Inventor); Wallace, Charles C. (Inventor); Swanson, Charles P. (Inventor)

1989-01-01

A tool is shown having a cross beam assembly (15) made of beams (18, 19, 20, 21) joined by a center box structure (23). The assembly (15) is adapted to be mounted by brackets (16) to the outer end of a cylindrical case (11). The center box structure (23) has a vertical shaft (25) rotatably mounted therein and extending beneath the assembly (15). Secured to the vertical shaft (25) is a radius arm (28) which is adapted to rotate with shaft (25). On the longer end of the radius arm (28) is a measuring tip (30) which contacts the cylindrical surface to be measured and which provides an electric signal representing the radius of the cylindrical surface from the center of rotation of the radius arm (28). An electric servomotor (49) rotates the vertical shaft (25) and an electronic resolver (61) provides an electric signal representing the angle of rotation of the shaft (25). The electric signals are provided to a computer station (73) which has software for its computer to calculate and print out the continuous circumference profile of the cylindrical surface, and give its true diameter and the deviations from the ideal circle.

Element-resolved Kikuchi pattern measurements of non-centrosymmetric materials

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

Vos, Maarten, E-mail: maarten.vos@anu.edu.au

2017-01-15

Angle-resolved electron Rutherford backscattering (ERBS) measurements using an electrostatic electron energy analyser can provide unique access to element-resolved crystallographic information. We present Kikuchi pattern measurements of the non-centrosymmetric crystal GaP, separately resolving the contributions of electrons backscattered from Ga and P. In comparison to element-integrated measurements like in the method of electron backscatter diffraction (EBSD), the effect of the absence of a proper 4-fold rotation axis in the point group of GaP can be sensed with a much higher visibility via the element-resolved Ga to P intensity ratio. These element-resolved measurements make it possible to experimentally attribute the previously observedmore » point-group dependent effect in element-integrated EBSD measurements to the larger contribution of electrons scattered from Ga compared to P. - Highlights: •Element specific Kikuchi patterns are presented for GaP. •Absence of a proper four-fold rotation axis is demonstrated. •Ga and P intensity variations after 90 degree rotation have opposite phase. •The asymmetry in the total intensity distribution resembles that of Ga.« less

Geometric phase effects in the ultracold D + HD $$ \\rightarrow $$ D + HD and D + HD $$\\leftrightarrow $$ H + D 2 reactions

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

Kendrick, Brian Kent; Hazra, Jisha; Balakrishnan, Naduvaluth

The results of accurate quantum reactive scattering calculations for the D + HD(v = 4, j = 0)more » $$\\to $$ D + HD($$v^{\\prime} $$, $$j^{\\prime} $$), D + HD(v = 4, j = 0) $$\\to $$ H + D2($$v^{\\prime} $$, $$j^{\\prime} $$) and H + D2(v = 4, j = 0) $$\\to $$ D + HD($$v^{\\prime} $$, $$j^{\\prime} $$) reactions are presented for collision energies between $$1\\,\\mu {\\rm{K}}$$ and $$100\\,{\\rm{K}}$$. The ab initio BKMP2 PES for the ground electronic state of H3 is used and all values of total angular momentum between $J=0-4$ are included. The general vector potential approach is used to include the geometric phase. The rotationally resolved, vibrationally resolved, and total reaction rate coefficients are reported as a function of collision energy. Rotationally resolved differential cross sections are also reported as a function of collision energy and scattering angle. Large geometric phase effects appear in the ultracold reaction rate coefficients which result in a significant enhancement or suppression of the rate coefficient (up to 3 orders of magnitude) relative to calculations which ignore the geometric phase. The results are interpreted using a new quantum interference mechanism which is unique to ultracold collisions. Significant effects of the geometric phase also appear in the rotationally resolved differential cross sections which lead to a very different oscillatory structure in both energy and scattering angle. Several shape resonances occur in the 1–$$10\\,{\\rm{K}}$$ energy range and the geometric phase is shown to significantly alter the predicted resonance spectrum. The geometric phase effects and ultracold rate coefficients depend sensitively on the nuclear spin. Furthermore, experimentalists may be able to control the reaction by the selection of a particular nuclear spin state.« less

Geometric phase effects in the ultracold D + HD $$ \\rightarrow $$ D + HD and D + HD $$\\leftrightarrow $$ H + D 2 reactions

DOE PAGES

Kendrick, Brian Kent; Hazra, Jisha; Balakrishnan, Naduvaluth

2016-12-15

The results of accurate quantum reactive scattering calculations for the D + HD(v = 4, j = 0)more » $$\\to $$ D + HD($$v^{\\prime} $$, $$j^{\\prime} $$), D + HD(v = 4, j = 0) $$\\to $$ H + D2($$v^{\\prime} $$, $$j^{\\prime} $$) and H + D2(v = 4, j = 0) $$\\to $$ D + HD($$v^{\\prime} $$, $$j^{\\prime} $$) reactions are presented for collision energies between $$1\\,\\mu {\\rm{K}}$$ and $$100\\,{\\rm{K}}$$. The ab initio BKMP2 PES for the ground electronic state of H3 is used and all values of total angular momentum between $J=0-4$ are included. The general vector potential approach is used to include the geometric phase. The rotationally resolved, vibrationally resolved, and total reaction rate coefficients are reported as a function of collision energy. Rotationally resolved differential cross sections are also reported as a function of collision energy and scattering angle. Large geometric phase effects appear in the ultracold reaction rate coefficients which result in a significant enhancement or suppression of the rate coefficient (up to 3 orders of magnitude) relative to calculations which ignore the geometric phase. The results are interpreted using a new quantum interference mechanism which is unique to ultracold collisions. Significant effects of the geometric phase also appear in the rotationally resolved differential cross sections which lead to a very different oscillatory structure in both energy and scattering angle. Several shape resonances occur in the 1–$$10\\,{\\rm{K}}$$ energy range and the geometric phase is shown to significantly alter the predicted resonance spectrum. The geometric phase effects and ultracold rate coefficients depend sensitively on the nuclear spin. Furthermore, experimentalists may be able to control the reaction by the selection of a particular nuclear spin state.« less

Picosecond rotationally resolved stimulated emission pumping spectroscopy of nitric oxide

NASA Astrophysics Data System (ADS)

Tanjaroon, Chakree; Reeve, Scott W.; Ford, Alan; Murry, W. Dean; Lyon, Kevin; Yount, Bret; Britton, Dan; Burns, William A.; Allen, Susan D.; Bruce Johnson, J.

2012-01-01

Stimulated emission pumping (SEP) experiments were performed on the nitric oxide molecule in a flow cell environment using lasers with pulse widths of 17-25 ps. A lambda excitation scheme, or ''pump-dump" arrangement, was employed with the pump laser tuned to the T 00 vibronic band origin ( λ=226.35(1)nm) of the A2Σ+( v' = 0, J') ← X2Π1/2( v″ = 0, J″) and the dump laser scanned from 246-248 nm within the A2Σ+( v' = 0, J') → X2Π1/2( v″ = 2, J″) transition. The rotationally resolved SEP spectra were measured by observing the total fluorescence within the A2Σ+( v' = 0, J') → X2Π1/2( v″ = 1, J″) transition between 235 nm and 237.2 nm while scanning the dump laser wavelengths. Multiple rotational states were excited due to the broad laser bandwidth. Measurements showed that the resolved rotational structure depended on the energy and bandwidth of the applied pump and dump laser pulses. Analysis of the observed fluorescence depletion signals yielded an average percent fluorescence depletion of about 19% when λ=226.35(1)nm and λ=247.91(1)nm. This value reflects the percent transfer of the NO population from the A2Σ+( V' = 0, J') excited electronic state to the X2Π1/2( v″ = 2, J″) ground electronic state. The maximum expected depletion is 50% in the limit of dump saturation. Selective excitation of NO at the bandhead provides good spectral discrimination from the background emission and noise and unambiguously confirms the identity of the emitter.

Probing the Electronic Environment of Methylindoles using Internal Rotation and (14)N Nuclear Quadrupole Coupling.

PubMed

Gurusinghe, Ranil M; Tubergen, Michael J

2016-05-26

High-resolution rotational spectra were recorded in the 10.5-21.0 GHz frequency range for seven singly methylated indoles. (14)N nuclear quadrupole hyperfine structure and spectral splittings arising from tunneling along the internal rotation of the methyl group were resolved for all indole species. The nuclear quadrupole coupling constants were used to characterize the electronic environment of the nitrogen atom, and the program XIAM was used to fit the barrier to internal rotation to the measured transition frequencies. The best fit barriers were found to be 277.1(2), 374.32(4), 414.(5), 331.6(2), 126.8675(15), 121.413(4), and 426(3) cm(-1) for 1-methylindole through 7-methylindole, respectively. The fitted barriers were found to be in good agreement with barriers calculated at the ωB97XD/6-311++G(d,p) level. The complete set of experimental barriers is compared to theoretical investigations of the origins of methyl torsional barriers and confirms that the magnitude of these barriers is an overall effect of individual hyperconjugative and structural interactions of many bonding/antibonding orbitals.

Key issues review: numerical studies of turbulence in stars

NASA Astrophysics Data System (ADS)

Arnett, W. David; Meakin, Casey

2016-10-01

Three major problems of single-star astrophysics are convection, magnetic fields and rotation. Numerical simulations of convection in stars now have sufficient resolution to be truly turbulent, with effective Reynolds numbers of \\text{Re}>{{10}4} , and some turbulent boundary layers have been resolved. Implications of these developments are discussed for stellar structure, evolution and explosion as supernovae. Methods for three-dimensional (3D) simulations of stars are compared and discussed for 3D atmospheres, solar rotation, core-collapse and stellar boundary layers. Reynolds-averaged Navier-Stokes (RANS) analysis of the numerical simulations has been shown to provide a novel and quantitative estimate of resolution errors. Present treatments of stellar boundaries require revision, even for early burning stages (e.g. for mixing regions during He-burning). As stellar core-collapse is approached, asymmetry and fluctuations grow, rendering spherically symmetric models of progenitors more unrealistic. Numerical resolution of several different types of three-dimensional (3D) stellar simulations are compared; it is suggested that core-collapse simulations may be under-resolved. The Rayleigh-Taylor instability in explosions has a deep connection to convection, for which the abundance structure in supernova remnants may provide evidence.

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.

Effect of the cosmological constant on the deflection angle by a rotating cosmic string

NASA Astrophysics Data System (ADS)

Jusufi, Kimet; Övgün, Ali

2018-03-01

We report the effect of the cosmological constant and the internal energy density of a cosmic string on the deflection angle of light in the spacetime of a rotating cosmic string with internal structure. We first revisit the deflection angle by a rotating cosmic string and then provide a generalization using the geodesic equations and the Gauss-Bonnet theorem. We show there is an agreement between the two methods when employing higher-order terms of the linear mass density of the cosmic string. By modifying the integration domain for the global conical topology, we resolve the inconsistency between these two methods previously reported in the literature. We show that the deflection angle is not affected by the rotation of the cosmic string; however, the cosmological constant Λ strongly affects the deflection angle, which generalizes the well-known result.

A causal role for V5/MT neurons coding motion-disparity conjunctions in resolving perceptual ambiguity.

PubMed

Krug, Kristine; Cicmil, Nela; Parker, Andrew J; Cumming, Bruce G

2013-08-05

Judgments about the perceptual appearance of visual objects require the combination of multiple parameters, like location, direction, color, speed, and depth. Our understanding of perceptual judgments has been greatly informed by studies of ambiguous figures, which take on different appearances depending upon the brain state of the observer. Here we probe the neural mechanisms hypothesized as responsible for judging the apparent direction of rotation of ambiguous structure from motion (SFM) stimuli. Resolving the rotation direction of SFM cylinders requires the conjoint decoding of direction of motion and binocular depth signals [1, 2]. Within cortical visual area V5/MT of two macaque monkeys, we applied electrical stimulation at sites with consistent multiunit tuning to combinations of binocular depth and direction of motion, while the monkey made perceptual decisions about the rotation of SFM stimuli. For both ambiguous and unambiguous SFM figures, rotation judgments shifted as if we had added a specific conjunction of disparity and motion signals to the stimulus elements. This is the first causal demonstration that the activity of neurons in V5/MT contributes directly to the perception of SFM stimuli and by implication to decoding the specific conjunction of disparity and motion, the two different visual cues whose combination drives the perceptual judgment. Copyright © 2013 The Authors. Published by Elsevier Inc. All rights reserved.

The structural and magnetic phase transitions in Ca 0.73La 0.27FeAs 2 with electron overdoped FeAs layers.

DOE PAGES

Jiang, Shan; Liu, Chang; Cao, H.; ...

2016-02-26

Here we report a study of the Ca 0.73La 0.27FeAs 2 single crystals. We unravel a monoclinic to triclinic phase transition at 58 K, and a paramagnetic to stripe antiferromagnetic (AFM) phase transition at 54 K, below which spins order 45° away from the stripe direction. Furthermore, we demonstrate this material is substantially structurally untwinned at ambient pressure with the formation of spin rotation walls (S-walls). Finally, in addition to the central-hole and corner-electron Fermi pockets usually appearing in FPS, angle-resolved photoemission (ARPES) measurements resolve a Fermiology where an extra electron pocket of mainly As chain character exists at themore » Brillouin zone edge.« less

Polarization recovery through scattering media.

PubMed

de Aguiar, Hilton B; Gigan, Sylvain; Brasselet, Sophie

2017-09-01

The control and use of light polarization in optical sciences and engineering are widespread. Despite remarkable developments in polarization-resolved imaging for life sciences, their transposition to strongly scattering media is currently not possible, because of the inherent depolarization effects arising from multiple scattering. We show an unprecedented phenomenon that opens new possibilities for polarization-resolved microscopy in strongly scattering media: polarization recovery via broadband wavefront shaping. We demonstrate focusing and recovery of the original injected polarization state without using any polarizing optics at the detection. To enable molecular-level structural imaging, an arbitrary rotation of the input polarization does not degrade the quality of the focus. We further exploit the robustness of polarization recovery for structural imaging of biological tissues through scattering media. We retrieve molecular-level organization information of collagen fibers by polarization-resolved second harmonic generation, a topic of wide interest for diagnosis in biomedical optics. Ultimately, the observation of this new phenomenon paves the way for extending current polarization-based methods to strongly scattering environments.

Rotational spectra of rare isotopic species of fluoroiodomethane: determination of the equilibrium structure from rotational spectroscopy and quantum-chemical calculations.

PubMed

Puzzarini, Cristina; Cazzoli, Gabriele; López, Juan Carlos; Alonso, José Luis; Baldacci, Agostino; Baldan, Alessandro; Stopkowicz, Stella; Cheng, Lan; Gauss, Jürgen

2012-07-14

Supported by accurate quantum-chemical calculations, the rotational spectra of the mono- and bi-deuterated species of fluoroiodomethane, CHDFI and CD(2)FI, as well as of the (13)C-containing species, (13)CH(2)FI, were recorded for the first time. Three different spectrometers were employed, a Fourier-transform microwave spectrometer, a millimeter/submillimter-wave spectrometer, and a THz spectrometer, thus allowing to record a huge portion of the rotational spectrum, from 5 GHz up to 1.05 THz, and to accurately determine the ground-state rotational and centrifugal-distortion constants. Sub-Doppler measurements allowed to resolve the hyperfine structure of the rotational spectrum and to determine the complete iodine quadrupole-coupling tensor as well as the diagonal elements of the iodine spin-rotation tensor. The present investigation of rare isotopic species of CH(2)FI together with the results previously obtained for the main isotopologue [C. Puzzarini, G. Cazzoli, J. C. López, J. L. Alonso, A. Baldacci, A. Baldan, S. Stopkowicz, L. Cheng, and J. Gauss, J. Chem. Phys. 134, 174312 (2011); G. Cazzoli, A. Baldacci, A. Baldan, and C. Puzzarini, Mol. Phys. 109, 2245 (2011)] enabled us to derive a semi-experimental equilibrium structure for fluoroiodomethane by means of a least-squares fit procedure using the available experimental ground-state rotational constants together with computed vibrational corrections. Problems related to the missing isotopic substitution of fluorine and iodine were overcome thanks to the availability of an accurate theoretical equilibrium geometry (computed at the coupled-cluster singles and doubles level augmented by a perturbative treatment of triple excitations).

Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures

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

Ren, Zhong; Šrajer, Vukica; Knapp, James E.

2013-04-08

Here we present a meta-analysis of a large collection of static structures of a protein in the Protein Data Bank in order to extract the progression of structural events during protein function. We apply this strategy to the homodimeric hemoglobin HbI from Scapharca inaequivalvis. We derive a simple dynamic model describing how binding of the first ligand in one of the two chemically identical subunits facilitates a second binding event in the other partner subunit. The results of our ultrafast time-resolved crystallographic studies support this model. We demonstrate that HbI functions like a homodimeric mechanical device, such as pliers ormore » scissors. Ligand-induced motion originating in one subunit is transmitted to the other via conserved pivot points, where the E and F' helices from two partner subunits are 'bolted' together to form a stable dimer interface permitting slight relative rotation but preventing sliding.« less

Revealing Stellar Surface Structure Behind Transiting Exoplanets

NASA Astrophysics Data System (ADS)

Dravins, Dainis

2018-04-01

During exoplanet transits, successive stellar surface portions become hidden and differential spectroscopy between various transit phases provide spectra of small surface segments temporarily hidden behind the planet. Line profile changes across the stellar disk offer diagnostics for hydrodynamic modeling, while exoplanet analyses require stellar background spectra to be known along the transit path. Since even giant planets cover only a small fraction of any main-sequence star, very precise observations are required, as well as averaging over numerous spectral lines with similar parameters. Spatially resolved Fe I line profiles across stellar disks have now been retrieved for HD209458 (G0V) and HD189733A (K1V), using data from the UVES and HARPS spectrometers. Free from rotational broadening, spatially resolved profiles are narrower and deeper than in integrated starlight. During transit, the profiles shift towards longer wavelengths, illustrating both stellar rotation at the latitude of transit and the prograde orbital motion of the exoplanets. This method will soon become applicable to more stars, once additional bright exoplanet hosts have been found.

RESOLVING THE ROTATION MEASURE OF THE M87 JET ON KILOPARSEC SCALES

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

Algaba, J. C.; Asada, K.; Nakamura, M., E-mail: algaba@asiaa.sinica.edu.tw

2016-06-01

We investigate the distribution of Faraday rotation measure (RM) in the M87 jet at arcsecond scales by using archival polarimetric Very Large Array data at 8, 15, 22 and 43 GHz. We resolve the structure of the RM in several knots along the jet for the first time. We derive the power spectrum in the arcsecond-scale jet and find indications that the RM cannot be associated with a turbulent magnetic field with a 3D Kolmogorov spectrum. Our analysis indicates that the RM probed on jet scales has a significant contribution of a Faraday screen associated with the vicinity of themore » jet, in contrast with that on kiloparsec scales, typically assumed to be disconnected from the jet. Comparison with previous RM analyses suggests that the magnetic fields giving rise to the RMs observed in jet scales have different properties and are well less turbulent than those observed in the lobes.« less

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.

Laser ablated hydantoin: A high resolution rotational study.

PubMed

Alonso, Elena R; Kolesniková, Lucie; Alonso, José L

2017-09-28

Laser ablation techniques coupled with broadband and narrowband Fourier transform microwave spectroscopies have allowed the high resolution rotational study of solid hydantoin, an important target in astrochemistry as a possible precursor of glycine. The complicated hyperfine structure arising from the presence of two 14 N nuclei in non-equivalent positions has been resolved and interpreted in terms of the nuclear quadrupole coupling interactions. The results reported in this work provide a solid base for the interstellar searches of hydantoin in the astrophysical surveys. The values of the nuclear quadrupole coupling constants have been also discussed in terms of the electronic environment around the respective nitrogen atom.

Energy partitioning in polyatomic chemical reactions: Quantum state resolved studies of highly exothermic atom abstraction reactions from molecules in the gas phase and at the gas-liquid interface

NASA Astrophysics Data System (ADS)

Zolot, Alexander M.

This thesis recounts a series of experiments that interrogate the dynamics of elementary chemical reactions using quantum state resolved measurements of gas-phase products. The gas-phase reactions F + HCl → HF + Cl and F + H2O → HF + OH are studied using crossed supersonic jets under single collision conditions. Infrared (IR) laser absorption probes HF product with near shot-noise limited sensitivity and high resolution, capable of resolving rovibrational states and Doppler lineshapes. Both reactions yield inverted vibrational populations. For the HCl reaction, strongly bimodal rotational distributions are observed, suggesting microscopic branching of the reaction mechanism. Alternatively, such structure may result from a quantum-resonance mediated reaction similar to those found in the well-characterized F + HD system. For the H2O reaction, a small, but significant, branching into v = 2 is particularly remarkable because this manifold is accessible only via the additional center of mass collision energy in the crossed jets. Rotationally hyperthermal HF is also observed. Ab initio calculations of the transition state geometry suggest mechanisms for both rotational and vibrational excitation. Exothermic chemical reaction dynamics at the gas-liquid interface have been investigated by colliding a supersonic jet of F atoms with liquid squalane (C30H62), a low vapor pressure hydrocarbon compatible with the high vacuum environment. IR spectroscopy provides absolute HF( v,J) product densities and Doppler resolved velocity component distributions perpendicular to the surface normal. Compared to analogous gas-phase F + hydrocarbon reactions, the liquid surface is a more effective "heat sink," yet vibrationally excited populations reveal incomplete thermal accommodation with the surface. Non-Boltzmann J-state populations and hot Doppler lineshapes that broaden with HF excitation indicate two competing scattering mechanisms: (i) a direct reactive scattering channel, whereby newly formed molecules leave the surface without equilibrating, and (ii) a partially accommodated fraction that shares vibrational, rotational, and translational energy with the liquid surface before returning to the gas phase. Finally, a velocity map ion imaging apparatus has been implemented to investigate reaction dynamics in crossed molecular beams. Resonantly enhanced multiphoton ionization (REMPI) results in rotational, vibrational, and electronic state selectivity. Velocity map imaging measurements provide differential cross sections and information about the internal energy distribution of the undetected collision partner.

Dark Matter and Extragalactic Gas Clouds in the NGC 4532/DDO 137 System

NASA Technical Reports Server (NTRS)

Hoffman, G. L.; Lu, N. Y.; Salpeter, E. E.; Connell, B. M.

1998-01-01

H I synthesis mapping of NGC 4532 and DDO 137, a pair of Sm galaxies on the edge of the Virgo cluster, is used to determine rotation curves for each of the galaxies and to resolve the structure and kinematics of three extragalactic H I clouds embedded in an extended envelope of diffuse HI discovered in earlier Arecibo studies of the system.

Collisional excitation of CH2 rotational/fine-structure levels by helium

NASA Astrophysics Data System (ADS)

Dagdigian, P. J.; Lique, F.

2018-02-01

Accurate determination of the abundance of CH2 in interstellar media relies on both radiative and collisional rate coefficients. We investigate here the rotational/fine-structure excitation of CH2 induced by collisions with He. We employ a recoupling technique to generate fine-structure-resolved cross-sections and rate coefficients from close coupling spin-free scattering calculations. The calculations are based on a recent, high-accuracy CH2-He potential energy surface computed at the coupled clusters level of theory. The collisional cross-section calculations are performed for all fine-structure transitions among the first 22 and 24 energy levels of ortho- and para-CH2, respectively, and for temperatures up to 300 K. As a first application, we simulate the excitation of CH2 in typical molecular clouds. The excitation temperatures of the CH2 lines are found to be small at typical densities of molecular clouds, showing that the non-local thermodynamic equilibrium approach has to be used to analyse interstellar spectra. We also found that the fine-structure lines connected with the 404 - 313 and 505 - 414 rotational transitions show possible maser emissions so that they can be easily seen in emission. These calculations show that CH2 may have to be detected mainly through absorption spectra.

STRUCTURE IN THE ROTATION MEASURE SKY

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

Stil, J. M.; Taylor, A. R.; Sunstrum, C.

2011-01-01

An analysis of structure in rotation measure (RM) across the sky based on the RM catalog of Taylor et al. is presented. Several resolved RM structures are identified with structure in the local interstellar medium, including radio loops I, II, and III, the Gum nebula, and the Orion-Eridanus superbubble. Structure functions (SFs) of RM are presented for selected areas, and maps of SF amplitude and slope across the sky are compared with H{alpha} intensity and diffuse polarized intensity. RM variance on an angular scale of 1{sup 0} is correlated with length of the line of sight through the Galaxy, withmore » a contribution from local structures. The slope of the SFs is less concentrated to the Galactic plane and less correlated with length of the line of sight through the Galaxy, suggesting a more local origin for RM structure on angular scales {approx}10{sup 0}. The RM variance is a factor of {approx}2 higher toward the South Galactic Pole than toward the North Galactic Pole, reflecting a more wide-spread asymmetry between the northern and southern Galactic hemispheres. Depolarization of diffuse Galactic synchrotron emission at latitudes <30{sup 0} can be explained largely by Faraday dispersion related to small-scale variance in RM, but the errors allow a significant contribution from differential Faraday rotation along the line of sight.« less

A step forward in understanding step-overs: the case of the Dead Sea Fault in northern Israel

NASA Astrophysics Data System (ADS)

Dembo, Neta; Granot, Roi; Hamiel, Yariv

2017-04-01

The rotational deformation field around step-overs between segments of strike-slip faults is poorly resolved. Vertical-axis paleomagnetic rotations can be used to characterize the deformation field, and together with mechanical modeling, can provide constraints on the characteristics of the adjacent fault segments. The northern Dead Sea Fault, a major segmented sinistral transform fault that straddles the boundary between the Arabian Plate and Sinai Subplate, offers an appropriate tectonic setting for our detailed mechanical and paleomagnetic investigation. We examine the paleomagnetic vertical-axis rotations of Neogene-Pleistocene basalt outcrops surrounding a right step-over between two prominent segments of the fault: the Jordan Gorge section and the Hula East Boundary Fault. Results from 20 new paleomagnetic sites reveal significant (>20˚) counterclockwise rotations within the step-over and small clockwise rotations in the vicinity. Sites located further (>2.5 km) away from the step-over generally experience negligible to minor rotations. Finally, we construct a mechanical model guided by the observed rotational field that allows us to characterize the structural, mechanical and kinematic behavior of the Dead Sea Fault in northern Israel.

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

Wu, Xiaoxi; Tan, Liang Z.; Shen, Xiaozhe

Femtosecond resolution electron scattering techniques are applied to resolve the first atomic-scale steps following absorption of a photon in the prototypical hybrid perovskite methylammonium lead iodide. Following above-gap photoexcitation, we directly resolve the transfer of energy from hot carriers to the lattice by recording changes in the mean square atomic displacements on 10-ps time scales. Measurements of the time-dependent pair distribution function show an unexpected broadening of the iodine-iodine correlation function while preserving the Pb-I distance. This indicates the formation of a rotationally disordered halide octahedral structure developing on picosecond time scales. Here, this work shows the important role ofmore » light-induced structural deformations within the inorganic sublattice in elucidating the unique optoelectronic functionality exhibited by hybrid perovskites and provides new understanding of hot carrier-lattice interactions, which fundamentally determine solar cell efficiencies.« less

Structural distortion-induced magnetoelastic locking in Sr(2)IrO(4) revealed through nonlinear optical harmonic generation.

PubMed

Torchinsky, D H; Chu, H; Zhao, L; Perkins, N B; Sizyuk, Y; Qi, T; Cao, G; Hsieh, D

2015-03-06

We report a global structural distortion in Sr_{2}IrO_{4} using spatially resolved optical second and third harmonic generation rotational anisotropy measurements. A symmetry lowering from an I4_{1}/acd to I4_{1}/a space group is observed both above and below the Néel temperature that arises from a staggered tetragonal distortion of the oxygen octahedra. By studying an effective superexchange Hamiltonian that accounts for this lowered symmetry, we find that perfect locking between the octahedral rotation and magnetic moment canting angles can persist even in the presence of large noncubic local distortions. Our results explain the origin of the forbidden Bragg peaks recently observed in neutron diffraction experiments and reconcile the observations of strong tetragonal distortion and perfect magnetoelastic locking in Sr_{2}IrO_{4}.

Time-resolved fluorescence polarization spectroscopy of visible and near infrared dyes in picosecond dynamics

NASA Astrophysics Data System (ADS)

Pu, Yang; Alfano, Robert R.

2015-03-01

Near-infrared (NIR) dyes absorb and emit light within the range from 700 to 900 nm have several benefits in biological studies for one- and/or two-photon excitation for deeper penetration of tissues. These molecules undergo vibrational and rotational motion in the relaxation of the excited electronic states, Due to the less than ideal anisotropy behavior of NIR dyes stemming from the fluorophores elongated structures and short fluorescence lifetime in picosecond range, no significant efforts have been made to recognize the theory of these dyes in time-resolved polarization dynamics. In this study, the depolarization of the fluorescence due to emission from rotational deactivation in solution will be measured with the excitation of a linearly polarized femtosecond laser pulse and a streak camera. The theory, experiment and application of the ultrafast fluorescence polarization dynamics and anisotropy are illustrated with examples of two of the most important medical based dyes. One is NIR dye, namely Indocyanine Green (ICG) and is compared with Fluorescein which is in visible range with much longer lifetime. A set of first-order linear differential equations was developed to model fluorescence polarization dynamics of NIR dye in picosecond range. Using this model, the important parameters of ultrafast polarization spectroscopy were identified: risetime, initial time, fluorescence lifetime, and rotation times.

Resolved magnetic dynamo action in the simulated intracluster medium

NASA Astrophysics Data System (ADS)

Vazza, F.; Brunetti, G.; Brüggen, M.; Bonafede, A.

2018-02-01

Faraday rotation and synchrotron emission from extragalactic radio sources give evidence for the presence of magnetic fields extending over ˜ Mpc scales. However, the origin of these fields remains elusive. With new high-resolution grid simulations, we studied the growth of magnetic fields in a massive galaxy cluster that in several aspects is similar to the Coma cluster. We investigated models in which magnetic fields originate from primordial seed fields with comoving strengths of 0.1 nG at redshift z = 30. The simulations show evidence of significant magnetic field amplification. At the best spatial resolution (3.95 kpc), we are able to resolve the scale where magnetic tension balances the bending of magnetic lines by turbulence. This allows us to observe the final growth stage of the small-scale dynamo. To our knowledge, this is the first time that this is seen in cosmological simulations of the intracluster medium. Our mock observations of Faraday rotation provide a good match to observations of the Coma cluster. However, the distribution of magnetic fields shows strong departures from a simple Maxwellian distribution, suggesting that the three-dimensional structure of magnetic fields in real clusters may be significantly different than what is usually assumed when inferring magnetic field values from rotation measure observations.

Internal Dynamics of Water Attached to a Photoacidic Substrate: High Resolution Electronic Spectroscopy of β-NAPHTHOL-WATER in the Gas Phase.

NASA Astrophysics Data System (ADS)

Fleisher, Adam J.; Young, Justin W.; Pratt, David W.

2010-06-01

An understanding of the structure and internal dynamics of water attached to the photoacid β-naphthol is attainable through rotationally resolved electronic spectroscopy. Here, we present rotational constants for the 1:1 acid-base cluster in both S0 and S1, which provide the location of water within the cluster, as well as the barrier height to internal rotation of water in each electronic state. The barrier height decreases slightly upon excitation, from 206 wn in S0, to 182 wn in S1. There is also little evidence of a large change in water location, orientation, or overall hydrogen bond length upon irradiation with UV light. Thus, a single water molecule has relatively little affect on the substrate photo-acidity measured in the liquid phase.

Correlation of conformational heterogeneity of the tryptophyl side chain and time-resolved fluorescence intensity decay kinetics

NASA Astrophysics Data System (ADS)

Laws, William R.; Ross, J. B. Alexander

1992-04-01

The time-resolved fluorescence properties of a tryptophan residue should be useful for probing protein structure, function, and dynamics. To date, however, the non-single exponential fluorescence intensity decay kinetics for numerous peptides and proteins having a single tryptophan residue have not been adequately explained. Many possibilities have been considered and include: (1) contributions from the 1La and 1Lb states of indole; (2) excited-state hydrogen exchange; and (3) environmental heterogeneity from (chi) 1 and (chi) 2 rotamers. In addition, it has been suggested that generally many factors contribute to the decay and a distribution of probabilities may be more appropriate. Two recent results support multiple species due to conformational heterogeneity as the major contributor to complex kinetics. First, a rotationally constrained tryptophan analogue has fluorescence intensity decay kinetics that can be described by the sum of two exponentials with amplitudes comparable to the relative populations of the two rotational isomers. Second, the multiple exponentials observed for tyrosine-containing model compounds and peptides correlate with the (chi) 1 rotamer populations independently determined by 1H NMR. We now report similar correlations between rotamer populations and fluorescence intensity decay kinetics for a tryptophan analogue of oxytocin. It appears for this compound that either (chi) 2 rotations do not appreciably alter the indole environment, (chi) 2 rotations are rapid enough to average the observed dependence, or only one of two possible (chi) 2 populations is associated with each (chi) 1 rotamer.

A new method of presentation the large-scale magnetic field structure on the Sun and solar corona

NASA Technical Reports Server (NTRS)

Ponyavin, D. I.

1995-01-01

The large-scale photospheric magnetic field, measured at Stanford, has been analyzed in terms of surface harmonics. Changes of the photospheric field which occur within whole solar rotation period can be resolved by this analysis. For this reason we used daily magnetograms of the line-of-sight magnetic field component observed from Earth over solar disc. We have estimated the period during which day-to-day full disc magnetograms must be collected. An original algorithm was applied to resolve time variations of spherical harmonics that reflect time evolution of large-scale magnetic field within solar rotation period. This method of magnetic field presentation can be useful enough in lack of direct magnetograph observations due to sometimes bad weather conditions. We have used the calculated surface harmonics to reconstruct the large-scale magnetic field structure on the source surface near the sun - the origin of heliospheric current sheet and solar wind streams. The obtained results have been compared with spacecraft in situ observations and geomagnetic activity. We tried to show that proposed technique can trace shon-time variations of heliospheric current sheet and short-lived solar wind streams. We have compared also our results with those obtained traditionally from potential field approximation and extrapolation using synoptic charts as initial boundary conditions.

Van Der Waals Clusters of Aromatic Molecules Studied Using Supersonic Molecular Jet Spectroscopy.

DTIC Science & Technology

1987-01-01

i n iie t ri 166 TABLE 7.5 Out-or-Plane Elgenvector Normal Modes Calculated for H2PC. Mode Elgenvector in Terms of Symmetry Coordinates a Bu1...clusters exhibit spectra and calculated geomet- ries which demonstrate that the solvent OH groups are large contributors to the spectral shifts and...10’ cluster structure. We calculate that 0.005 cm-’ resolution N-C 1.725 x 10’ I 575< 10’ would be required to resolve rotational structure for N-H

Photoluminescence Mapping and Angle-Resolved Photoluminescence of MBE-Grown InGaAs/GaAs RC LED and VCSEL Structures

DTIC Science & Technology

2002-06-03

resonant-cavity light-emitting diodes (RC LEDs) and vertical-cavity surface-emitting lasers ( VCSELs )] fabricated from molecular beam epitaxy (MBE)-grown...grown 8470-631. by molecular beam epitaxy (MBE) using a Riber 32P E-mail address: muszal@ite.waw.pl (0. Muszalski). reactor. Details of the growth can be... molecular beams hit the center of a rotating sion features of RC LED and VCSEL structures, as well sample. However, due to the transversal distribution of as

Structure-Preserving Variational Multiscale Modeling of Turbulent Incompressible Flow with Subgrid Vortices

NASA Astrophysics Data System (ADS)

Evans, John; Coley, Christopher; Aronson, Ryan; Nelson, Corey

2017-11-01

In this talk, a large eddy simulation methodology for turbulent incompressible flow will be presented which combines the best features of divergence-conforming discretizations and the residual-based variational multiscale approach to large eddy simulation. In this method, the resolved motion is represented using a divergence-conforming discretization, that is, a discretization that preserves the incompressibility constraint in a pointwise manner, and the unresolved fluid motion is explicitly modeled by subgrid vortices that lie within individual grid cells. The evolution of the subgrid vortices is governed by dynamical model equations driven by the residual of the resolved motion. Consequently, the subgrid vortices appropriately vanish for laminar flow and fully resolved turbulent flow. As the resolved velocity field and subgrid vortices are both divergence-free, the methodology conserves mass in a pointwise sense and admits discrete balance laws for energy, enstrophy, and helicity. Numerical results demonstrate the methodology yields improved results versus state-of-the-art eddy viscosity models in the context of transitional, wall-bounded, and rotational flow when a divergence-conforming B-spline discretization is utilized to represent the resolved motion.

Numerical Simulation of the Borehole Magnetic Field for Resolving the Possible Rotation of Tectonic Basins and Plates during ICDP and IODP Experiments

NASA Astrophysics Data System (ADS)

Lee, S. M.; Parq, J. H.

2017-12-01

An accurate measurement of magnetic field inside the borehole, together with a right set of paleomagnetic measurements on the recovered core samples, should allow one to resolve important elements such as the rotation of the basin or the plate on which the basin is located. The ability to resolve the rotation of the basin can be crucial during drilling experiments by International Continental Scientific Drilling Program (ICDP) and International Ocean Discovery Program (IODP). A good example where the rotation is a central question is the Philippine Sea Plate, which is thought to have rotated about 90° clockwise during the last 55 million years. Despite the significance, previous borehole magnetometers were not accurate enough to achieve such a goal because, among various technical issues, determining the orientation of the sensor inside the borehole to a very high level of accuracy was not easy. The next-generation (third-generation) borehole magnetometer (3GBM) was developed to overcome this difficulty and to bring paleomagnetic investigations to a new level. Even with the new development, however, there are still concerns whether the new instrument can really resolve the rotation because the magnetic field anomalies generated by the sediment is generally very low. In this paper, we present numerical simulations based on finite element method of the magnetic field inside the borehole that were conducted as part of a test to demonstrate that, despite low levels of magnetization, the magnetic fields can be resolved. The results also served as an important input on the design requirements of the borehole magnetometer. Various cases were considered, including the situation where the sedimentary layer is horizontal and inclined. We also explored the cases where volcanic sills were present within the sedimentary layer as they may provide a greater magnetic signature than having sediment alone, and thus improving our chances of determining the rotation. Simulations are necessary because they provide us useful guidelines for planning a future drill experiment as well as on the first-hand interpretation of the borehole measurement results.

On hydromagnetic oscillations in a rotating cavity.

NASA Technical Reports Server (NTRS)

Gans, R. F.

1971-01-01

Time-dependent hydromagnetic phenomena in a rotating spherical cavity are investigated in the framework of an interior boundary-layer expansion. The first type of wave is a modification of the hydrodynamic inertial wave, the second is a pseudo-geostrophic wave and is involved in spinup, and the third is related to the MAC waves of Braginskii (1967). It is shown that the MAC waves must satisfy more than the usual normal boundary conditions, and that reference must be made to the boundary-layer solution to resolve the ambiguity regarding which conditions are to be taken. The boundary-layer structure is investigated in detail to display the interactions between applied field, viscosity, electrical conductivity, frequency and latitu de.

First order coupled dynamic model of flexible space structures with time-varying configurations

NASA Astrophysics Data System (ADS)

Wang, Jie; Li, Dongxu; Jiang, Jianping

2017-03-01

This paper proposes a first order coupled dynamic modeling method for flexible space structures with time-varying configurations for the purpose of deriving the characteristics of the system. The model considers the first time derivative of the coordinate transformation matrix between the platform's body frame and the appendage's floating frame. As a result it can accurately predict characteristics of the system even if flexible appendages rotate with complex trajectory relative to the rigid part. In general, flexible appendages are fixed on the rigid platform or forced to rotate with a slow angular velocity. So only the zero order of the transformation matrix is considered in conventional models. However, due to neglecting of time-varying terms of the transformation matrix, these models introduce severe error when appendages, like antennas, for example, rotate with a fast speed relative to the platform. The first order coupled dynamic model for flexible space structures proposed in this paper resolve this problem by introducing the first time derivative of the transformation matrix. As a numerical example, a central core with a rotating solar panel is considered and the results are compared with those given by the conventional model. It has been shown that the first order terms are of great importance on the attitude of the rigid body and dynamic response of the flexible appendage.

Calming the Churn: Resolving the Dilemma of Rotational Warfare in Counterinsurgency

DTIC Science & Technology

2013-12-01

warfare in counterinsurgency Publisher Monterey, California: Naval Postgraduate School Issue Date 2013-12 URL http://hdl.handle.net/10945/38873... TYPE AND DATES COVERED Master’s Thesis 4. TITLE AND SUBTITLE CALMING THE CHURN: RESOLVING THE DILEMMA OF ROTATIONAL WARFARE IN COUNTERINSURGENCY...operations, however, would not last and, after only a year, MacArthur was sent to other duties thanks to personality conflicts with Taft. His replacement

Time-resolved optical spectroscopy of oriented muscle fibers specifically and covalently labeled with extrinsic optical probes

NASA Astrophysics Data System (ADS)

Hayden, David Ward

1997-11-01

The protein myosin transforms chemical energy, in the form of ATP, into mechanical force in muscle. The rotational motions of myosin play a central role in all models of muscle contraction. I investigated the rotations of myosin in contracting muscle using time- resolved phosphorescence anisotropy (TPA), a technique sensitive to rotations on the microsecond time scale. I developed the hardware, software and theory for four- polarization TPA, which returns four time-resolved anisotropies in contrast to a single anisotropy for standard TPA. The additional anisotropies constrain the possible dye orientations and myosin head motions. Four- polarization TPA on oriented scallop muscle fibers with an extrinsic probe on the light chain shows that the rigor (no ATP, no calcium) anisotropies are consistent with a static distribution of rigid, but partially disordered molecules. Addition of ATP, in the presence or absence of calcium, induces microsecond rotational motion in a fraction of the myosin molecules, while the rest retain rigor-like orientation. This result is consistent with recently-published electron paramagnetic resonance (EPR) results and provides details of the microsecond motion that EPR is unable to detect. A method for simulation of time-resolved TPA spectra and determination of initial and final anisotropies allows testing of models of myosin rotations. The TPA spectra of several models, including restricted rotational diffusion and the Lymn-Taylor models are shown. To show the generality of the derived equations, I apply them to a comparison of EPR and fluorescence polarization spectroscopy on similar samples to investigate whether there is one model that could explain the results reported by the two techniques.

Fast, label-free super-resolution live-cell imaging using rotating coherent scattering (ROCS) microscopy

NASA Astrophysics Data System (ADS)

Jünger, Felix; Olshausen, Philipp V.; Rohrbach, Alexander

2016-07-01

Living cells are highly dynamic systems with cellular structures being often below the optical resolution limit. Super-resolution microscopes, usually based on fluorescence cell labelling, are usually too slow to resolve small, dynamic structures. We present a label-free microscopy technique, which can generate thousands of super-resolved, high contrast images at a frame rate of 100 Hertz and without any post-processing. The technique is based on oblique sample illumination with coherent light, an approach believed to be not applicable in life sciences because of too many interference artefacts. However, by circulating an incident laser beam by 360° during one image acquisition, relevant image information is amplified. By combining total internal reflection illumination with dark-field detection, structures as small as 150 nm become separable through local destructive interferences. The technique images local changes in refractive index through scattered laser light and is applied to living mouse macrophages and helical bacteria revealing unexpected dynamic processes.

Fast, label-free super-resolution live-cell imaging using rotating coherent scattering (ROCS) microscopy

PubMed Central

Jünger, Felix; Olshausen, Philipp v.; Rohrbach, Alexander

2016-01-01

Living cells are highly dynamic systems with cellular structures being often below the optical resolution limit. Super-resolution microscopes, usually based on fluorescence cell labelling, are usually too slow to resolve small, dynamic structures. We present a label-free microscopy technique, which can generate thousands of super-resolved, high contrast images at a frame rate of 100 Hertz and without any post-processing. The technique is based on oblique sample illumination with coherent light, an approach believed to be not applicable in life sciences because of too many interference artefacts. However, by circulating an incident laser beam by 360° during one image acquisition, relevant image information is amplified. By combining total internal reflection illumination with dark-field detection, structures as small as 150 nm become separable through local destructive interferences. The technique images local changes in refractive index through scattered laser light and is applied to living mouse macrophages and helical bacteria revealing unexpected dynamic processes. PMID:27465033

Rovibronically Selected and Resolved Laser Photoionization and Photoelectron Studies of Transition Metal Carbides, Nitrides, and Oxides.

NASA Astrophysics Data System (ADS)

Luo, Zhihong; Chang, Yih-Chung; Huang, Huang; Ng, Cheuk-Yiu

2014-06-01

Transition metal (M) carbides, nitrides, and oxides (MX, X = C, N, and O) are important molecules in astrophysics, catalysis, and organometallic chemistry. The measurements of the ionization energies (IEs), bond energies, and spectroscopic constants for MX/MX+ in the gas phase by high-resolution photoelectron methods represent challenging but profitable approaches to gain fundamental understandings of the electronic structures and bonding properties of these compounds and their cations. We have developed a two-color laser excitation scheme for high-resolution pulse field ionization photoelectron (PFI-PE) measurements of MX species. By exciting the neutral MX species to a single rovibronic state using a visible laser prior to photoionization by a UV laser, we have obtained fully rotational resolved PFI-PE spectra for TiC+, TiO+, VCH+, VN+, CoC+, ZrO+, and NbC+. The unambiguous rotational assignments of these spectra have provided highly accurate IE values for TiC, TiO, VCH, VN, CoC, ZrO, and NbC, and spectroscopic constants for their cations.

The Effects of Internal Rotation and 14N Quadrupole Coupling in N-Methyldiacetamide

NASA Astrophysics Data System (ADS)

Kannengießer, Raphaela; Eibl, Konrad; Nguyen, Ha Vinh Lam; Stahl, Wolfgang

2015-06-01

Acetyl- and nitrogen containing substances play an important role in chemical, physical, and especially biological systems. This applies in particular for acetamides, which are structurally related to peptide bonds. In this work, N-methyldiacetamide, CH_3N(COCH_3)_2, was investigated by a combination of molecular beam Fourier transform microwave spectroscopy and quantum chemical calculations. In N-methyldiacetamide, at least three large amplitude motions are possible: (1) the internal rotation of the methyl group attached to the nitrogen atom and (2, 3) the internal rotations of both acetyl methyl groups. This leads to a rather complicated torsional fine structure of all rotational transitions with additional quadrupole hyperfine splittings caused by the 14N nucleus. Quantum chemical calculations were carried out at the MP2/6-311++G(d,p) level of theory to support the spectral assignment. Conformational analysis was performed by calculating a full potential energy surface depending on the orientation of the two acetyl groups. This yielded three stable conformers with a maximum energy difference of 35.2 kJ/mol. The spectrum of the lowest energy conformer was identified in the molecular beam. The quadrupole hyperfine structure as well as the internal rotation of two methyl groups could be assigned. For the N-methyl group and for one of the two acetyl methyl groups, barriers to internal rotation of 147 cm-1 and of 680 cm-1, respectively, were determined. The barrier of the last methyl group seems to be so high that no additional splittings could be resolved. Using the XIAM program, a global fit with a standard deviation on the order of our experimental accuracy could be achieved.

Probing the Structure of {sup 74}Ge Nucleus with Coupled-channels Analysis of {sup 74}Ge+{sup 74}Ge Fusion Reaction

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

Zamrun F, Muhammad; Jurusan Fisika FMIPA, Universitas Haluoleo, Kendari, Sulawesi Tenggara, 93232; Kasim, Hasan Abu

2010-12-23

We study the fusion reaction of the {sup 74}Ge+{sup 74}Ge system in term of the full order coupled-channels formalism. We especially calculated the fusion cross section as well as the fusion barrier distribution of this reaction using transition matrix suggested by recent Coulomb excitation experiment. We compare the results with the one obtained by coupling matrix based on pure vibrational and rotational models. The present coupled-channels calculations for the barrier distributions obtained using experiment coupling matrix is in good agreement with the one obtained with vibrational model, in contrast to the rotational model. This is indicates that {sup 74}Ge nucleusmore » favor a spherical shape than a deformed shape in its ground state. Our results will resolve the debates concerning the structure of this nucleus.« less

Rotationally-supported disks around Class I sources in Taurus: disk formation constraints

NASA Astrophysics Data System (ADS)

Harsono, D.; Jørgensen, J. K.; van Dishoeck, E. F.; Hogerheijde, M. R.; Bruderer, S.; Persson, M. V.; Mottram, J. C.

2014-02-01

Context. Disks are observed around pre-main sequence stars, but how and when they form is still heavily debated. While disks around young stellar objects have been identified through thermal dust emission, spatially and spectrally resolved molecular line observations are needed to determine their nature. Only a handful of embedded rotationally supported disks have been identified to date. Aims: We identify and characterize rotationally supported disks near the end of the main accretion phase of low-mass protostars by comparing their gas and dust structures. Methods: Subarcsecond observations of dust and gas toward four Class I low-mass young stellar objects in Taurus are presented at significantly higher sensitivity than previous studies. The 13CO and C18O J = 2-1 transitions at 220 GHz were observed with the Plateau de Bure Interferometer at a spatial resolution of ≤0.8″ (56 AU radius at 140 pc) and analyzed using uv-space position velocity diagrams to determine the nature of their observed velocity gradient. Results: Rotationally supported disks (RSDs) are detected around 3 of the 4 Class I sources studied. The derived masses identify them as Stage I objects; i.e., their stellar mass is higher than their envelope and disk masses. The outer radii of the Keplerian disks toward our sample of Class I sources are ≤100 AU. The lack of on-source C18O emission for TMR1 puts an upper limit of 50 AU on its size. Flattened structures at radii >100 AU around these sources are dominated by infalling motion (υ ∝ r-1). A large-scale envelope model is required to estimate the basic parameters of the flattened structure from spatially resolved continuum data. Similarities and differences between the gas and dust disk are discussed. Combined with literature data, the sizes of the RSDs around Class I objects are best described with evolutionary models with an initial rotation of Ω = 10-14 Hz and slow sound speeds. Based on the comparison of gas and dust disk masses, little CO is frozen out within 100 AU in these disks. Conclusions: Rotationally supported disks with radii up to 100 AU are present around Class I embedded objects. Larger surveys of both Class 0 and I objects are needed to determine whether most disks form late or early in the embedded phase. Based on observations carried out with the IRAM Plateau de Bure Interferometer. IRAM is supported by INSU/CNBRS (France), MPG (Germany) and IGN (Spain).Appendices are available in electronic form at http://www.aanda.org

Ap stars with resolved magnetically split lines: Magnetic field determinations from Stokes I and V spectra⋆

NASA Astrophysics Data System (ADS)

Mathys, G.

2017-05-01

Context. Some Ap stars that have a strong enough magnetic field and a sufficiently low v sini show spectral lines resolved into their magnetically split components. Aims: We present the results of a systematic study of the magnetic fields and other properties of those stars. Methods: This study is based on 271 new measurements of the mean magnetic field modulus ⟨ B ⟩ of 43 stars, 231 determinations of the mean longitudinal magnetic field ⟨ Bz ⟩ and of the crossover ⟨ Xz ⟩ of 34 stars, and 229 determinations of the mean quadratic magnetic field ⟨ Bq ⟩ of 33 stars. Those data were used to derive new values or meaningful lower limits of the rotation periods Prot of 21 stars. Variation curves of the mean field modulus were characterised for 25 stars, the variations of the longitudinal field were characterised for 16 stars, and the variations of the crossover and of the quadratic field were characterised for 8 stars. Our data are complemented by magnetic measurements from the literature for 41 additional stars with magnetically resolved lines. Phase coverage is sufficient to define the curve of variation of ⟨ B ⟩ for 2 of these stars. Published data were also used to characterise the ⟨ Bz ⟩ curves of variation for 10 more stars. Furthermore, we present 1297 radial velocity measurements of the 43 Ap stars in our sample that have magnetically resolved lines. Nine of these stars are spectroscopic binaries for which new orbital elements were derived. Results: The existence of a cut-off at the low end of the distribution of the phase-averaged mean magnetic field moduli ⟨ B ⟩ av of the Ap stars with resolved magnetically split lines, at about 2.8 kG, is confirmed. This reflects the probable existence of a gap in the distribution of the magnetic field strengths in slowly rotating Ap stars, below which there is a separate population of stars with fields weaker than 2 kG. In more than half of the stars with magnetically resolved lines that have a rotation period shorter than 150 days, ⟨ B ⟩ av > 7.5 kG, while those stars with a longer period all have ⟨ B ⟩ av < 7.5 kG. The difference between the two groups is significant at the 100.0% confidence level. The relative amplitudes of variation of the mean field modulus may tend to be greater in stars with Prot > 100 d than in shorter period stars. The root-mean-square longitudinal fields of all the studied stars but one is less than one-third of their phased-average mean field moduli, which is consistent with the expected behaviour for fields whose geometrical structure resembles a centred dipole. However, moderate but significant departures from the latter are frequent. Crossover resulting from the correlation between the Zeeman effect and the rotation-induced Doppler effect across the stellar surface is definitely detected in stars with rotation periods of up to 130 days and possibly even up to 500 days. Weak, but formally significant crossover of constant sign, has also been observed in a number of longer period stars, which could potentially be caused by pulsation velocity gradients across the depth of the photosphere. The quadratic field is in average 1.3 times greater than the mean field modulus and both of those moments vary with similar relative amplitudes and almost in phase in most stars. Rare exceptions almost certainly have unusual field structures. The distribution of the known values and lower limits of the rotation periods of the Ap stars with magnetically resolved lines indicates that for some of them, Prot must almost certainly reach 300 yr or possibly even much higher values. Of the 43 Ap stars that we studied in detail, 22 are in binary systems. The shortest orbital period Porb of those systems is 27 days. For those non-synchronised Ap binaries for which both the rotation period and the orbital period, or meaningful lower limits thereof, are reliably determined, the distribution of the orbital periods of the systems in which the Ap star has a rotation period that is shorter than 50 days is different from its distribution for those systems in which the rotation period of the Ap star is longer, at a confidence level of 99.6%. The shortest rotation and orbital periods are mutually exclusive: all but one of the non-synchronised systems that contain an Ap component with Prot < 50 d, have Porb > 1000 d. Conclusions: Stars with resolved magnetically split lines represent a significant fraction, of the order of several percent, of the whole population of Ap stars. Most of these stars are genuine slow rotators, whose consideration provides new insight into the long-period tail of the distribution of the periods of Ap stars. Emerging correlations between rotation periods and magnetic properties provide important clues for the understanding of the braking mechanisms that have been at play in the early stages of stellar evolution. The geometrical structures of the magnetic fields of Ap stars with magnetically resolved lines appear in general to depart slightly, but not extremely, from centred dipoles. However, there are a few remarkable exceptions, which deserve further consideration. Confirmation that pulsational crossover is indeed occurring at a detectable level would open the door to the study of non-radial pulsation modes of degree ℓ, which is too high for photometric or spectroscopic observations. How the lack of short orbital periods among binaries containing an Ap component with magnetically resolved lines is related to their (extremely) slow rotation remains to be fully understood, but the very existence of a correlation between the two periods lends support to the merger scenario for the origin of Ap stars. Based on observations collected at the European Southern Observatory, Chile (ESO Programmes 56.E-0688, 56.E-0690, 57.E-0557, 57.E-0637, 58.E-0155, 58.E-0159, 59.E-0372, 59.E-0373, 60.E-0564, 60.E-0565, 61.E-0711, and Period 56 Director Discretionary Time); at Observatoire de Haute Provence (CNRS), France; at Kitt Peak National Observatory, National Optical Astronomy Observatory (NOAO Prop. ID: KP2442; PI: T. Lanz), which is operated by the Association of Universities for Research in Astronomy (AURA) under cooperative agreement with the National Science Foundation; and at the Canada-France-Hawaii Telescope (CFHT), which is operated from the summit of Mauna Kea by the National Research Council of Canada, the Institut National des Sciences de l'Univers of the Centre National de la Recherche Scientifique of France, and the University of Hawaii. The observations at the Canada-France-Hawaii Telescope were performed with care and respect from the summit of Mauna Kea, which is a significant cultural and historic site.Table 7 is only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/601/A14

Rotatable spin-polarized electron source for inverse-photoemission experiments

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

Stolwijk, S. D., E-mail: Sebastian.Stolwijk@wwu.de; Wortelen, H.; Schmidt, A. B.

2014-01-15

We present a ROtatable Spin-polarized Electron source (ROSE) for the use in spin- and angle-resolved inverse-photoemission (SR-IPE) experiments. A key feature of the ROSE is a variable direction of the transversal electron beam polarization. As a result, the inverse-photoemission experiment becomes sensitive to two orthogonal in-plane polarization directions, and, for nonnormal electron incidence, to the out-of-plane polarization component. We characterize the ROSE and test its performance on the basis of SR-IPE experiments. Measurements on magnetized Ni films on W(110) serve as a reference to demonstrate the variable spin sensitivity. Moreover, investigations of the unoccupied spin-dependent surface electronic structure of Tl/Si(111)more » highlight the capability to analyze complex phenomena like spin rotations in momentum space. Essentially, the ROSE opens the way to further studies on complex spin-dependent effects in the field of surface magnetism and spin-orbit interaction at surfaces.« less

High-resolution Fourier transform infrared synchrotron spectroscopy of the NO2 in-plane rock band of nitromethane

NASA Astrophysics Data System (ADS)

Dawadi, Mahesh B.; Twagirayezu, Sylvestre; Perry, David S.; Billinghurst, Brant E.

2015-09-01

The high-resolution rotationally resolved Fourier-transform infrared spectrum of the NO2 in-plane rock band (440-510 cm-1) of nitromethane (CH3NO2) has been recorded using the Far-Infrared Beamline at the Canadian Light Source, with a resolution of 0.00096 cm-1. About 1773 transitions reaching the upper state levels m‧ = 0; Ka‧ ⩽ 7;J‧ ⩽ 50 have been assigned using an automated ground-state combination difference program together with the traditional Loomis-Wood approach. These data from the lowest torsional state, m‧ = 0, were fit using the six-fold torsion-rotation program developed by Ilyushin et al. (2010). The analysis reveals that the rotational energy level structure in the upper vibrational state is similar to that of the ground vibrational state, but the sign and magnitude of high-order constants are significantly changed suggesting the presence of multiple perturbations.

Microwave Spectroscopy of Trans-Ethyl Methyl Ether in the Ground State

NASA Astrophysics Data System (ADS)

Kobayashi, Kaori; Sakai, Yusuke; Tsunekawa, Shozo; Miyamoto, Taihei; Fujitake, Masaharu; Ohashi, Nobukimi

2013-06-01

The trans-ethyl methyl ether molecule (CH_3CH_2OCH_3) has two inequivalent methyl group internal rotors which corresponds to the two vibrational motions, ν_{28} and ν_{29}. Due to these internal rotations, a rotational transition could be split into maximum five components. The skeletal torsion (ν_{30}) is another low-lying state (ν_{30}) that interacts with the ν_{28} and ν_{29} modes. The microwave spectra of the trans-ethyl methyl ether molecule in the ν_{28} = 1, ν_{29} = 1, and ν_{30} = 1, 2 and 3 have been extensively studied by using Hougen's tunneling matrix formalism. The microwave spectroscopy in the ground state was studied by several groups. The splitting due to the ν_{28} mode (C-CH_3 internal rotation) is small in the ground state and was not fully resolved in most of the previous studied rotational transitions. In this paper, we report the results of the pulsed nozzle-jet Fourier transform microwave spectroscopy so as to measure the fully resolved spectra. The submillmeter wave spectroscopy was also carried out. Our analysis including the previously reported transitions would be useful for astronomical observations. K. Kobayashi, T. Matsui, N. Mori, S. Tsunekawa, and N. Ohashi J. Mol. Spectrosc. {269}, 242 2011. K. Kobayashi, T. Matsui, S. Tsunekawa, and N. Ohashi J. Mol. Spectrosc. {255}, 164 2009. K. Kobayashi, T. Matsui, N. Mori, S. Tsunekawa, and N. Ohashi J. Mol. Spectrosc.{251}, 301 2008. K. Kobayashi, K. Murata, S. Tsunekawa, and N. Ohashi Int. Symposium on Mol. Spectrosc., 65th Meeting TH15 2010.} M. Hayashi, and K. Kuwada J. Mol. Structure {28}, 147 1975. M. Hayashi, and M. Adachi J. Mol. Structure {78}, 53 1982. S. Tsunekawa, Y. Kinai, Y. Kondo, H. Odashima, and K. Takagi Molecules {8}, 103 2003. U. Fuchs, G. Winnewisser, P. Groner, F. C. De Lucia, and E. Herbst Astrophys. J. Suppl. {144}, 277 2003.

Towards the Detection of Explosive Taggants: Microwave and Millimetre-Wave Gas-Phase Spectroscopies of 3-Nitrotoluene.

PubMed

Roucou, Anthony; Kleiner, Isabelle; Goubet, Manuel; Bteich, Sabath; Mouret, Gael; Bocquet, Robin; Hindle, Francis; Meerts, W Leo; Cuisset, Arnaud

2018-05-07

The monitoring of gas-phase mononitrotoluenes is crucial for defence, civil security and environmental interests because they are used as taggant for TNT detection and in the manufacturing of industrial compounds such as dyestuffs. In this study, we have succeeded to measure and analyse at high-resolution a room temperature rotationally resolved millimetre-wave spectrum of meta-nitrotoluene (3-NT). Experimental and theoretical difficulties have been overcome, in particular, those related to the low vapour pressure of 3-NT and to the presence of a CH 3 internal rotation in an almost free rotation regime (V 3 =6.7659(24) cm -1 ). Rotational spectra have been recorded in the microwave and millimetre-wave ranges using a supersonic jet Fourier Transform microwave spectrometer (T rot <10 K) and a millimetre-wave frequency multiplication chain (T=293 K), respectively. Spectral analysis of pure rotation lines in the vibrational ground state and in the first torsional excited state supported by quantum chemistry calculations permits the rotational energy of the molecule, the hyperfine structure due to the 14 N nucleus, and the internal rotation of the methyl group to be characterised. A line list is provided for future in situ detection. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Postoperative stiff shoulder after open rotator cuff repair: a 3- to 20-year follow-up study.

PubMed

Vastamäki, H; Vastamäki, M

2014-12-01

Stiffness after a rotator cuff tear is common. So is stiffness after an arthroscopic rotator cuff repair. In the literature, however, postoperative restriction of passive range of motion after open rotator cuff repair in shoulders with free passive range of motion at surgery has seldom been recognized. We hypothesize that this postoperative stiffness is more frequent than recognized and slows the primary postoperative healing after a rotator cuff reconstruction. We wondered how common is postoperative restriction of both active and passive range of motion after open rotator cuff repair in shoulders with free passive preoperative range of motion, how it recovers, and whether this condition influences short- and long-term results of surgery. We also explored factors predicting postoperative shoulder stiffness. We retrospectively identified 103 postoperative stiff shoulders among 416 consecutive open rotator cuff repairs, evaluating incidence and duration of stiffness, short-term clinical results and long-term range of motion, pain relief, shoulder strength, and functional results 3-20 (mean 8.7) years after surgery in 56 patients. The incidence of postoperative shoulder stiffness was 20%. It delayed primary postoperative healing by 3-6 months and resolved during a mean 6.3 months postoperatively. External rotation resolved first, corresponding to that of the controls at 3 months; flexion and abduction took less than 1 year after surgery. The mean summarized range of motion (flexion + abduction + external rotation) increased as high as 93% of the controls' range of motion by 6 months and 100% by 1 year. Flexion, abduction, and internal rotation improved to the level of the contralateral shoulders as did pain, strength, and function. Age at surgery and condition of the biceps tendon were related to postoperative stiffness. Postoperative stiff shoulder after open rotator cuff repair is a common complication resolving in 6-12 months with good long-term results. © The Finnish Surgical Society 2013.

Skeletal Muscle Fibrosis and Stiffness Increase after Rotator Cuff Tendon Injury and Neuromuscular Compromise in a Rat Model

PubMed Central

Sato, Eugene J.; Killian, Megan L.; Choi, Anthony J.; Lin, Evie; Esparza, Mary C.; Galatz, Leesa M.; Thomopoulos, Stavros; Ward, Samuel R.

2015-01-01

Rotator cuff tears can cause irreversible changes (e.g., fibrosis) to the structure and function of the injured muscle(s). Fibrosis leads to increased muscle stiffness resulting in increased tension at the rotator cuff repair site. This tension influences repairability and healing potential in the clinical setting. However, the micro- and meso-scale structural and molecular sources of these whole-muscle mechanical changes are poorly understood. Here, single muscle fiber and fiber bundle passive mechanical testing was performed on rat supraspinatus and infraspinatus muscles with experimentally induced massive rotator cuff tears (Tenotomy) as well as massive tears with chemical denervation (Tenotomy+BTX) at 8 and 16 weeks post-injury. Titin molecular weight, collagen content, and myosin heavy chain profiles were measured and correlated with mechanical variables. Single fiber stiffness was not different between controls and experimental groups. However, fiber bundle stiffness was significantly increased at 8 weeks in the Tenotomy+BTX group compared to Tenotomy or control groups. Many of the changes were resolved by 16 weeks. Only fiber bundle passive mechanics was weakly correlated with collagen content. These data suggest that tendon injury with concomitant neuromuscular compromise results in extracellular matrix production and increases in stiffness of the muscle, potentially complicating subsequent attempts for surgical repair. PMID:24838823

Large-scale Density Structures in Magneto-rotational Disk Turbulence

NASA Astrophysics Data System (ADS)

Youdin, Andrew; Johansen, A.; Klahr, H.

2009-01-01

Turbulence generated by the magneto-rotational instability (MRI) is a strong candidate to drive accretion flows in disks, including sufficiently ionized regions of protoplanetary disks. The MRI is often studied in local shearing boxes, which model a small section of the disk at high resolution. I will present simulations of large, stratified shearing boxes which extend up to 10 gas scale-heights across. These simulations are a useful bridge to fully global disk simulations. We find that MRI turbulence produces large-scale, axisymmetric density perturbations . These structures are part of a zonal flow --- analogous to the banded flow in Jupiter's atmosphere --- which survives in near geostrophic balance for tens of orbits. The launching mechanism is large-scale magnetic tension generated by an inverse cascade. We demonstrate the robustness of these results by careful study of various box sizes, grid resolutions, and microscopic diffusion parameterizations. These gas structures can trap solid material (in the form of large dust or ice particles) with important implications for planet formation. Resolved disk images at mm-wavelengths (e.g. from ALMA) will verify or constrain the existence of these structures.

Spin-resolved band structure of a densely packed Pb monolayer on Si(111)

NASA Astrophysics Data System (ADS)

Brand, C.; Muff, S.; Fanciulli, M.; Pfnür, H.; Tringides, M. C.; Dil, J. H.; Tegenkamp, C.

2017-07-01

Monolayer structures of Pb on Si(111) attracted recently considerable interest as superconductivity was found in these truly two-dimensional (2D) structures. In this study, we analyzed the electronic surface band structure of the so-called striped incommensurate Pb phase with 4/3 ML coverage by means of spin-resolved photoemission spectroscopy. Our results fully agree with density functional theory calculations done by Ren et al. [Phys. Rev. B 94, 075436 (2016), 10.1103/PhysRevB.94.075436]. We observe a local Zeeman-type splitting of a fully occupied and spin-polarized surface band at the K¯√{3} points. The growth of this densely packed Pb structure results in the formation of imbalanced rotational domains, which triggered the detection of C3 v symmetry forbidden spin components for surface states around the Fermi energy. Moreover, the Fermi surface of the metallic surface state of this phase is Rashba spin split and revealed a pronounced warping. However, the 2D nesting vectors are incommensurate with the atomic structure, thus keeping this system rather immune against charge density wave formation and possibly enabling a superconducting behavior.

Infrared spectra of C2H4 dimer and trimer

NASA Astrophysics Data System (ADS)

Barclay, A. J.; Esteki, K.; McKellar, A. R. W.; Moazzen-Ahmadi, N.

2018-05-01

Spectra of ethylene dimers and trimers are studied in the ν11 and (for the dimer) ν9 fundamental band regions of C2H4 (≈2990 and 3100 cm-1) using a tunable optical parametric oscillator source to probe a pulsed supersonic slit jet expansion. The deuterated trimer has been observed previously, but this represents the first rotationally resolved spectrum of (C2H4)3. The results support the previously determined cross-shaped (D2d) dimer and barrel-shaped (C3h or C3) trimer structures. However, the dimer spectrum in the ν9 fundamental region of C2H4 is apparently very perturbed and a previous rotational analysis is not well verified.

Rotationally resolved electronic spectroscopy study of the conformational space of 3-methoxyphenol

NASA Astrophysics Data System (ADS)

Wilke, Martin; Schneider, Michael; Wilke, Josefin; Ruiz-Santoyo, José Arturo; Campos-Amador, Jorge J.; González-Medina, M. Elena; Álvarez-Valtierra, Leonardo; Schmitt, Michael

2017-07-01

Conformational preferences are determined by (de-)stabilization effects like intramolecular hydrogen bonds or steric hindrance of adjacent substituents and thus, influence the stability and reactivity of the conformers. In the present contribution, we investigate the conformational landscape of 3-methoxyphenol using a combination of high resolution electronic spectroscopy and ab initio calculations. Three of the four possible conformational isomers were characterized in their electronic ground and lowest excited singlet states on the basis of their rotational constants and other molecular parameters. The absence of one conformer in molecular beam studies can be explained by its non-planar structure in the excited state, which leads to a vanishingly small Franck-Condon factor of the respective origin excitation.

Rotational Spectrum and Carbon Atom Structure of Dihydroartemisinic Acid

NASA Astrophysics Data System (ADS)

Evangelisti, Luca; Seifert, Nathan A.; Spada, Lorenzo; Pate, Brooks

2016-06-01

Dihydroartemisinic acid (DHAA, C15H24O2, five chiral centers) is a precursor in proposed low-cost synthetic routes to the antimalarial drug artemisinin. In one reaction process being considered in pharmaceutical production, DHAA is formed from an enantiopure sample of artemisinic acid through hydrogenation of the alkene. This reaction needs to properly set the stereochemistry of the asymmetric carbon for the synthesis to produce artemisinin. A recrystallization process can purify the diastereomer mixture of the hydrogenation reaction if the unwanted epimer is produced in less than 10% abundance. There is a need in the process analytical chemistry to rapidly (less than 1 min) measure the diastereomer excess and current solutions, such a HPLC, lack the needed measurement speed. The rotational spectrum of DHAA has been measured at 300:1 signal-to-noise ratio in a chirped-pulsed Fourier transform microwave spectrometer operating from 2-8 GHz using simple heating of the compound. The 13C isotope analysis provides a carbon atom structure that confirms the diastereomer. This structure is in excellent agreement with quantum chemistry calculations at the B2PLYPD3/ 6-311++G** level of theory. The DHAA spectrum is expected to be fully resolved from the unwanted diastereomer raising the potential for fast diastereomer excess measurement by rotational spectroscopy in the pharmaceutical production process.

Sub-Doppler infrared spectroscopy of propargyl radical (H{sub 2}CCCH) in a slit supersonic expansion

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

Chang, Chih-Hsuan; Nesbitt, David J.

The acetylenic CH stretch mode (ν{sub 1}) of propargyl (H{sub 2}CCCH) radical has been studied at sub-Doppler resolution (∼60 MHz) via infrared laser absorption spectroscopy in a supersonic slit-jet discharge expansion, where low rotational temperatures (T{sub rot} = 13.5(4) K) and lack of spectral congestion permit improved determination of band origin and rotational constants for the excited state. For the lowest J states primarily populated in the slit jet cooled expansion, fine structure due to the unpaired electron spin is resolved completely, which permits accurate analysis of electron spin-rotation interactions in the vibrationally excited states (ε{sub aa} = − 518.1(1.8),more » ε{sub bb} = − 13.0(3), ε{sub cc} = − 1.8(3) MHz). In addition, hyperfine broadening in substantial excess of the sub-Doppler experimental linewidths is observed due to nuclear spin–electron spin contributions at the methylenic (—CH{sub 2}) and acetylenic (—CH) positions, which permits detailed modeling of the fine/hyperfine structure line contours. The results are consistent with a delocalized radical spin density extending over both methylenic and acetylenic C atoms, in excellent agreement with simple resonance structures as well as ab initio theoretical calculations.« less

Asteroseismology of Red-Giant Stars: Mixed Modes, Differential Rotation, and Eccentric Binaries

NASA Astrophysics Data System (ADS)

Beck, Paul G.

2013-12-01

Astronomers are aware of rotation in stars since Galileo Galilei attributed the movement of sunspots to rotation of the Sun in 1613. In contrast to the Sun, whose surface can be resolved by small telescopes or even the (protected) eye, we detect stars as point sources with no spatial information. Numerous techniques have been developed to derive information about stellar rotation. Unfortunately, most observational data allow only for the surface rotational rate to be inferred. The internal rotational profile, which has a great effect on the stellar structure and evolution, remains hidden below the top layers of the star - the essential is hidden to the eyes. Asteroseismology allows us to "sense" indirectly deep below the stellar surface. Oscillations that propagate through the star provide information about the deep stellar interiors while they also distort the stellar surface in characteristic patterns leading to detectable brightness or velocity variations. Also, certain oscillation modes are sensitive to internal rotation and carry information on how the star is spinning deep inside. Thanks to the unprecedented quality of NASA's space telescope Kepler, numerous detailed observations of stars in various evolutionary stages are available. Such high quality data allow that for many stars, rotation can not only be constrained from surface rotation, but also investigated through seismic studies. The work presented in this thesis focuses on the oscillations and internal rotational gradient of evolved single and binary stars. It is shown that the seismic analysis can reach the cores of oscillating red-giant stars and that these cores are rapidly rotating, while nested in a slowly rotating convective envelope.

State-to-state rotational energy-transfer measurements in the nu(2) = 1 state of ammonia by infrared-infrared double resonance

NASA Technical Reports Server (NTRS)

Abel, Bernd; Coy, Stephen L.; Klaassen, Jody J.; Steinfeld, Jeffrey I.

1992-01-01

The state-resolved rotational (R-R, R-T) energy transfer in (N-14)H3 (for NH3-NH3 and NH3-Ar collisions) was studied using an IR double-resonance laser spectroscopic technique. Measurements of both the total rate of depopulation by collisions, and the rates of transfer into specific final rovibrational states (v,J,K) were performed using time-resolved tunable diode laser absorption spectroscopy. A kinetic master-equation analysis of time-resolved level populatons was carried out, yielding state-to-state rate constants and propensity rules for NH3-NH3 and NH3-Ar collisions.

Electronic spectra of 2- and 3-tolunitrile in the gas phase. I. A study of methyl group internal rotation via rovibronically resolved spectroscopy

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

Ruiz-Santoyo, José Arturo; Álvarez-Valtierra, Leonardo, E-mail: leoav@fisica.ugto.mx; Wilke, Josefin

2016-01-28

Rotationally resolved fluorescence excitation spectra of the origin bands in the S{sub 1}←S{sub 0} transition of 2-tolunitrile (2TN) and 3-tolunitrile (3TN) have been recorded in the collision-free environment of a molecular beam. Analyses of these data provide the rotational constants of each molecule and the potential energy curves governing the internal rotation of the attached methyl groups in both electronic states. 2TN exhibits much larger barriers along this coordinate than 3TN. Interestingly, the electronic transition dipole moment in both molecules is markedly influenced by the position of the attached methyl group rather than the position of the cyano group; possiblemore » reasons for this intriguing behavior are discussed.« less

Rotationally resolved pulsed field ionization photoelectron study of CO[sup +](X[sup 2][Sigma][sup +],v[sup +]=0[endash]42) in the energy range of 13. 98[endash]21. 92 eV

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

Evans, M.; Ng, C.Y.

1999-11-01

We have obtained rotationally resolved pulsed field ionization[endash]photoelectron (PFI-PE) spectra of CO in the energy range of 13.98[endash]21.92 eV, covering the ionization transitions CO[sup +](X hthinsp;[sup 2][Sigma][sup +],v[sup +]=0[endash]42,N[sup +])[l arrow]CO(X hthinsp;[sup 1][Sigma][sup +],v[sup [double prime

Space-time resolving vacuum ultraviolet spectrometer based on a rotating polyhedral mirror

NASA Astrophysics Data System (ADS)

Lin, Xiaodong; Xie, Jikang

2000-05-01

Using a rotating polyhedral mirror and a vacuum ultraviolet (VUV) monochromater, a space-time resolving VUV diagnostic system is developed. Measurement of the O VI (103.2 nm) radiation on the HT-6M tokamak shows that the time resolution of the system is better than 4 ms and the space resolution is better than 2 cm. Compared with traditional instruments, this system has improved measurement efficiency, and error from shot-to-shot discharge variations is avoided.

Stress field rotation or block rotation: An example from the Lake Mead fault system

NASA Technical Reports Server (NTRS)

Ron, Hagai; Nur, Amos; Aydin, Atilla

1990-01-01

The Coulomb criterion, as applied by Anderson (1951), has been widely used as the basis for inferring paleostresses from in situ fault slip data, assuming that faults are optimally oriented relative to the tectonic stress direction. Consequently if stress direction is fixed during deformation so must be the faults. Freund (1974) has shown that faults, when arranged in sets, must generally rotate as they slip. Nur et al., (1986) showed how sufficiently large rotations require the development of new sets of faults which are more favorably oriented to the principal direction of stress. This leads to the appearance of multiple fault sets in which older faults are offset by younger ones, both having the same sense of slip. Consequently correct paleostress analysis must include the possible effect of fault and material rotation, in addition to stress field rotation. The combined effects of stress field rotation and material rotation were investigated in the Lake Meade Fault System (LMFS) especially in the Hoover Dam area. Fault inversion results imply an apparent 60 degrees clockwise (CW) rotation of the stress field since mid-Miocene time. In contrast structural data from the rest of the Great Basin suggest only a 30 degrees CW stress field rotation. By incorporating paleomagnetic and seismic evidence, the 30 degrees discrepancy can be neatly resolved. Based on paleomagnetic declination anomalies, it is inferred that slip on NW trending right lateral faults caused a local 30 degrees counter-clockwise (CCW) rotation of blocks and faults in the Lake Mead area. Consequently the inferred 60 degrees CW rotation of the stress field in the LMFS consists of an actual 30 degrees CW rotation of the stress field (as for the entire Great Basin) plus a local 30 degrees CCW material rotation of the LMFS fault blocks.

Stress field rotation or block rotation: An example from the Lake Mead fault system

NASA Astrophysics Data System (ADS)

Ron, Hagai; Nur, Amos; Aydin, Atilla

1990-02-01

The Coulomb criterion, as applied by Anderson (1951), has been widely used as the basis for inferring paleostresses from in situ fault slip data, assuming that faults are optimally oriented relative to the tectonic stress direction. Consequently if stress direction is fixed during deformation so must be the faults. Freund (1974) has shown that faults, when arranged in sets, must generally rotate as they slip. Nur et al., (1986) showed how sufficiently large rotations require the development of new sets of faults which are more favorably oriented to the principal direction of stress. This leads to the appearance of multiple fault sets in which older faults are offset by younger ones, both having the same sense of slip. Consequently correct paleostress analysis must include the possible effect of fault and material rotation, in addition to stress field rotation. The combined effects of stress field rotation and material rotation were investigated in the Lake Meade Fault System (LMFS) especially in the Hoover Dam area. Fault inversion results imply an apparent 60 degrees clockwise (CW) rotation of the stress field since mid-Miocene time. In contrast structural data from the rest of the Great Basin suggest only a 30 degrees CW stress field rotation. By incorporating paleomagnetic and seismic evidence, the 30 degrees discrepancy can be neatly resolved. Based on paleomagnetic declination anomalies, it is inferred that slip on NW trending right lateral faults caused a local 30 degrees counter-clockwise (CCW) rotation of blocks and faults in the Lake Mead area. Consequently the inferred 60 degrees CW rotation of the stress field in the LMFS consists of an actual 30 degrees CW rotation of the stress field (as for the entire Great Basin) plus a local 30 degrees CCW material rotation of the LMFS fault blocks.

Multi-speed multi-phase resolver converter

NASA Technical Reports Server (NTRS)

Alhorn, Dean (Inventor); Howard, David (Inventor)

1994-01-01

A multiphase converter circuit generates a plurality of sinusoidal outputs of displaced phase and given speed value from the output of an angular resolver system attachable to a motor excited by these multi-phase outputs, the resolver system having a lower speed value than that of the motor. The angular resolver system provides in parallel format sequential digital numbers indicative of the amount of rotation of the shaft of an angular position sensor associated with the angular resolver system. These numbers are used to excite simultaneously identical addresses of a plurality of addressable memory systems, each memory system having stored therein at sequential addresses sequential values of a sinusoidal wavetrain of a given number of sinusoids. The stored wavetrain values represent sinusoids displaced from each other in phase according to the number of output phases desired. A digital-to-analog converter associated with each memory system converts each accessed word to a corresponding analog value to generate attendant to rotation of the angular resolver a sinusoidal wave of proper phase at each of the plurality of outputs. By properly orienting the angular resolver system with respect to the rotor of the motor, essentially ripple-free torque is supplied to the rotor. The angular resolver system may employ an analog resolver feeding an integrated circuit resolver-to-digital converter to produce the requisite digital values serving as addresses. Alternative versions employing incremental or absolute encoders are also described.

Multi-speed multi-phase resolver converter

NASA Technical Reports Server (NTRS)

Alhorn, Dean C. (Inventor); Howard, David E. (Inventor)

1995-01-01

A multiphase converter circuit generates a plurality of sinusoidal outputs of displaced phase and given speed value from the output of an angular resolver system attachable to a motor excited by these multi-phase outputs, the resolver system having a lower speed value than that of the motor. The angular resolver system provides in parallel format sequential digital numbers indicative of the amount of rotation of the shaft of an angular position sensor associated with the angular resolver system. These numbers are used to excite simultaneously identical addresses of a plurality of addressable memory systems, each memory system having stored therein at sequential addresses sequential values of a sinusoidal wavetrain of a given number of sinusoids. The stored wavetrain values represent sinusoids displaced from each other in phase according to the number of output phases desired. A digital-to-analog converter associated with each memory system converts each accessed word to a corresponding analog value to generate attendant to rotation of the angular resolver a sinusoidal wave of proper phase at each of the plurality of outputs. By properly orienting the angular resolver system with respect to the rotor of the motor, essentially ripple-free torque is supplied to the rotor. The angular resolver system may employ an analog resolver feeding an integrated circuit resolver-to-digital converter to produce the requisite digital values serving as addresses. Alternative versions employing incremental or absolute encoders are also described.

Impulsive Collision Dynamics of CO Super Rotors from an Optical Centrifuge.

PubMed

Murray, Matthew J; Ogden, Hannah M; Toro, Carlos; Liu, Qingnan; Mullin, Amy S

2016-11-18

We report state-resolved collision dynamics for CO molecules prepared in an optical centrifuge and measured with high-resolution transient IR absorption spectroscopy. Time-resolved polarization-sensitive measurements of excited CO molecules in the J=29 rotational state reveal that the oriented angular momentum of CO rotors is relaxed by impulsive collisions. The translational energy gains for molecules in the initial plane of rotation are threefold larger than for randomized angular momentum orientations, indicating the presence of anisotropic kinetic energy. The transient data show enhanced population for CO molecules in the initial plane of rotation immediately following the optical centrifuge pulse. A comparison with previous CO 2 super rotor studies illustrates the behavior of molecular gyroscopes; spatial reorientation of CO 2 J=76 rotors takes substantially longer than that for CO J=29 rotors, despite similarities in classical rotational period and rotational energy gap. High-resolution transient IR absorption measurements of the CO J=29-39 rotational states show that the collisional depopulation rates increase with J quantum number. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Discovery of a new motion mechanism of biomotors similar to the earth revolving around the sun without rotation

PubMed Central

Guo, Peixuan; Schwartz, Chad; Haak, Jeannie; Zhao, Zhengyi

2013-01-01

Biomotors have been classified into linear and rotational motors. For 35 years, it has been popularly believed that viral dsDNA-packaging apparatuses are pentameric rotation motors. Recently, a third class of hexameric motor has been found in bacteriophage phi29 that utilizes a mechanism of revolution without rotation, friction, coiling, or torque. This review addresses how packaging motors control dsDNA one-way traffic; how four electropositive layers in the channel interact with the electronegative phosphate backbone to generate four steps in translocating one dsDNA helix; how motors resolve the mismatch between 10.5 bases and 12 connector subunits per cycle of revolution; and how ATP regulates sequential action of motor ATPase. Since motors with all number of subunits can utilize the revolution mechanism, this finding helps resolve puzzles and debates concerning the oligomeric nature of packaging motors in many phage systems. This revolution mechanism helps to solve the undesirable dsDNA supercoiling issue involved in rotation. PMID:24074575

Rotational cars application to simultaneous and multiple-point temperature and concentration determination in a turbulent flow

NASA Technical Reports Server (NTRS)

Snow, J. B.; Murphy, D. V.; Chang, R. K.

1984-01-01

Coherent Anti-stokes Raman Scattering (CARS) from the pure rotational Raman lines of N2 is employed to measure the instantaneous rotational temperature of N2 gas at room temperature and below with good spatial resolution. A broad-bandwidth dye laser is used to obtain the entire rotational spectrum from a signal laser pulse; the CARS signal is then dispersed by a spectrograph and recorded on an optical multichannel analyzer. A best-fit temperature is found in several seconds with the aid of a computer for each experimental spectrum by a least squares comparison with calculated spectra. The model used to calculate the theoretical spectra incorporates the temperature and pressure dependence of the pressure-broadened rotational Raman lines, includes the nonresonant background susceptibility, and assumes that the pump laser has a finite linewidth. Temperatures are fit to experimental spectra recorded over the temperature range of 135 to 296K, and over the pressure range of 0.13 to 15.3 atm. In addition to the spatially resolved single point work, we have used multipoint CARS to obtain information from many spatially resolved volume elements along a cylindrical line (0.1 x 0.1 x 2.0 mm). We also obtained qualitative information on the instantaneous species concentration and temperature at 20 spatially resolved volume elements (0.1 x 0.1 x 0.1 mm) along a line.

Gap structure of FeSe determined by angle-resolved specific heat measurements in applied rotating magnetic field

NASA Astrophysics Data System (ADS)

Sun, Yue; Kittaka, Shunichiro; Nakamura, Shota; Sakakibara, Toshiro; Irie, Koki; Nomoto, Takuya; Machida, Kazushige; Chen, Jingting; Tamegai, Tsuyoshi

2017-12-01

Quasiparticle excitations in FeSe were studied by means of specific heat (C ) measurements on a high-quality single crystal under rotating magnetic fields. The field dependence of C shows three-stage behavior with different slopes, indicating the existence of three gaps (Δ1,Δ2, and Δ3). In the low-temperature and low-field region, the azimuthal angle (ϕ ) dependence of C shows a fourfold symmetric oscillation with a sign change. On the other hand, the polar angle (θ ) dependence manifests as an anisotropy-inverted twofold symmetry with unusual shoulder behavior. Combining the angle-resolved results and the theoretical calculation, the smaller gap Δ1 is proved to have two vertical-line nodes or gap minima along the kz direction, and is determined to reside on the electron-type ɛ band. Δ2 is found to be related to the electron-type δ band, and is isotropic in the a b plane but largely anisotropic out of the plane. Δ3 residing on the hole-type α band shows a small out-of-plane anisotropy with a strong Pauli paramagnetic effect.

Scanning system for angle-resolved low-coherence interferometry.

PubMed

Steelman, Zachary A; Ho, Derek; Chu, Kengyeh K; Wax, Adam

2017-11-15

Angle-resolved low-coherence interferometry (a/LCI) detects precancer by enabling depth-resolved measurements of nuclear morphology in vivo. A significant limitation of a/LCI is the point-probe nature of the method, sampling <0.5  mm 2 before probe relocation is necessary. In this work, we demonstrate a scanning method capable of assessing an area >100  mm 2 without repositioning. By utilizing a reflection-only three-optic rotator prism and a two-axis scanning mirror, we demonstrate radial scans of a sample with a linear range of 12 mm and a full rotational range of 180°. Use of this design will improve the diagnostic utility of a/LCI for wide-area screening of tissue health.

A scanning system for angle-resolved low-coherence interferometry

PubMed Central

Steelman, Zachary A.; Ho, Derek; Chu, Kengyeh K.; Wax, Adam

2018-01-01

Angle-resolved low-coherence interferometry (a/LCI) detects precancer by enabling depth-resolved measurements of nuclear morphology in vivo. A significant limitation of a/LCI is the point-probe nature of the method, sampling <0.5 mm2 before probe relocation is necessary. In this work, we demonstrate a scanning method capable of assessing an area >100 mm2 without repositioning. By utilizing a reflection-only three-optic rotator (ROTOR) prism and two-axis scanning mirror, we demonstrate radial scans of a sample with a linear range of 12 mm and a full rotational range of 180°. Use of this design will improve the diagnostic utility of a/LCI for wide-area screening of tissue health. PMID:29140317

Vorticity field measurement using digital inline holography

NASA Astrophysics Data System (ADS)

Mallery, Kevin; Hong, Jiarong

2017-11-01

We demonstrate the direct measurement of a 3D vorticity field using digital inline holographic microscopy. Microfiber tracer particles are illuminated with a 532 nm continuous diode laser and imaged using a single CCD camera. The recorded holographic images are processed using a GPU-accelerated inverse problem approach to reconstruct the 3D structure of each microfiber in the imaged volume. The translation and rotation of each microfiber are measured using a time-resolved image sequence - yielding velocity and vorticity point measurements. The accuracy and limitations of this method are investigated using synthetic holograms. Measurements of solid body rotational flow are used to validate the accuracy of the technique under known flow conditions. The technique is further applied to a practical turbulent flow case for investigating its 3D velocity field and vorticity distribution.

Measuring cosmic shear and birefringence using resolved radio sources

NASA Astrophysics Data System (ADS)

Whittaker, Lee; Battye, Richard A.; Brown, Michael L.

2018-02-01

We develop a new method of extracting simultaneous measurements of weak lensing shear and a local rotation of the plane of polarization using observations of resolved radio sources. The basis of the method is an assumption that the direction of the polarization is statistically linked with that of the gradient of the total intensity field. Using a number of sources spread over the sky, this method will allow constraints to be placed on cosmic shear and birefringence, and it can be applied to any resolved radio sources for which such a correlation exists. Assuming that the rotation and shear are constant across the source, we use this relationship to construct a quadratic estimator and investigate its properties using simulated observations. We develop a calibration scheme using simulations based on the observed images to mitigate a bias which occurs in the presence of measurement errors and an astrophysical scatter on the polarization. The method is applied directly to archival data of radio galaxies where we measure a mean rotation signal of $\\omega=-2.02^{\\circ}\\pm0.75^{\\circ}$ and an average shear compatible with zero using 30 reliable sources. This level of constraint on an overall rotation is comparable with current leading constraints from CMB experiments and is expected to increase by at least an order of magnitude with future high precision radio surveys, such as those performed by the SKA. We also measure the shear and rotation two-point correlation functions and estimate the number of sources required to detect shear and rotation correlations in future surveys.

Structure, phase transitions, and isotope effects in [(CH3)4N]2PuCl6

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

Wilson, Richard E.

2015-11-02

The single crystal X-ray diffraction structure of [(CH3)4N]2PuCl6 is presented for the first time, resolving long standing confusion and speculation regarding the structure of this compound in the literature. A temperature dependent study of this compound shows that the structure of [(CH3)4N]2PuCl6 undergoes no fewer than two phase transitions between 100 and 360 K. The phase of [(CH3)4N]2PuCl6 at room temperature is Fd-3c a = 26.012(3) Å. At 360 K, the structure is in space group Fm-3m with a = 13.088(1) Å. The plutonium octahedra and tetramethylammonium cations undergo a rotative displacement and the degree of rotation varies with temperature,more » giving rise to the phase transition from Fm-3m to Fd-3c as the crystal is cooled. Synthesis and structural studies of the deuterated salt [(CD3)4N]2PuCl6 suggest that there is an isotopic effect associated with this phase transition as revealed by a changing transition temperature in the deuterated versus protonated compound indicating that the donor-acceptor interactions between the tetramethylammonium cations and the hexachloroplutonate anions are driving the phase transformation.« less

Substitution structure of cyanogen, NCCN, from high-resolution far infrared spectra

NASA Astrophysics Data System (ADS)

Grecu, John C.; Winnewisser, Brenda P.; Winnewisser, Manfred

2003-04-01

The lowest lying vibrational bands of the gas-phase spectra of cyanogen, NCCN, and four of its isotopomers, 15NCCN, N13CCN, 15NCC15N, and N13C13CN, were recorded with a Fourier transform interferometer. The resolution was limited by the maximum optical path difference (MOPD) attainable with the interferometer to FWHM=0.0012 cm-1. Rovibrational transitions of the ν5 ( ≈230 cm-1) and also the ν2- ν5 ( ≈610 cm-1) band systems were assigned for all five isotopomers. The use of an effective Hamiltonian for linear molecules to fit the data yielded precise spectroscopic vibrational and rotational constants for the vibrational states ( v1v2v3v4v5) or ( v4v5)=(00), (01), (02), (03), and (01000). These data include the first rotationally resolved transitions involving (01000). Complete substitution ( rs) structures of cyanogen, based on both single and double isotopic substitution of the parent species, were calculated. The derived structure is rCC=138.48(17) pm and rCN=115.66(13) pm. The two rs structures coincide within the errors due to remaining contributions of zero-point vibrations.

Toroidal Rotation and 3D Nonlinear Dynamics in the Peeling-Ballooning Model of ELMs

NASA Astrophysics Data System (ADS)

Snyder, P. B.

2004-11-01

Maximizing the height of the edge transport barrier (or ``pedestal'') while maintaining acceptably small edge localized modes (ELMs) is a critical issue for tokamak performance. The peeling-ballooning model proposes that intermediate wavelength MHD instabilities are responsible for ELMs and impose constraints on the pedestal. Recent studies of linear peeling-ballooning stability have found encouraging agreement with observations [e.g. 1]. To allow more detailed prediction of mode characteristics, including eventually predictions of the ELM energy loss and its deposition, we consider effects of sheared toroidal rotation, as well as 3D nonlinear dynamics. An eigenmode formulation for toroidal rotation shear is developed and incorporated into the framework of the ELITE stability code [2], resolving the low rotation discontinuity in previous high-n results. Rotation shear is found to impact the structure of peeling-ballooning modes, causing radial narrowing and mode shearing. The calculated mode frequency is found to agree with observed rotation in the edge region in the early stages of the ELM crash. Nonlinear studies with the 3D BOUT and NIMROD codes reveal detailed characteristics of the early evolution of these edge instabilities, including the impact of non-ideal effects. The expected linear growth phase is followed by a fast crash event in which poloidally narrow, filamentary structures propagate radially outward from the pedestal region, closely resembling observed ELM events. Comparisons with ELM observations will be discussed. \\vspace0.25em [1] P.B. Snyder et al., Nucl. Fusion 44, 320 (2004); P.B. Snyder et al., Phys. Plasmas 9, 2037 (2002). [2] H.R. Wilson et al., Phys. Plasmas 9, 1277 (2002).

Kinematics of rotating panels of E-W faults in the San Andreas system: what can we tell from geodesy?

NASA Astrophysics Data System (ADS)

Platt, J. P.; Becker, T. W.

2013-09-01

Sets of E- to NE-trending sinistral and/or reverse faults occur within the San Andreas system, and are associated with palaeomagnetic evidence for clockwise vertical-axis rotations. These structures cut across the trend of active dextral faults, posing questions as to how displacement is transferred across them. Geodetic data show that they lie within an overall dextral shear field, but the data are commonly interpreted to indicate little or no slip, nor any significant rate of rotation. We model these structures as rotating by bookshelf slip in a dextral shear field, and show that a combination of sinistral slip and rotation can produce the observed velocity field. This allows prediction of rates of slip, rotation, fault-parallel extension and fault-normal shortening within the panel. We use this method to calculate the kinematics of the central segment of the Garlock Fault, which cuts across the eastern California shear zone at a high angle. We obtain a sinistral slip rate of 6.1 ± 1.1 mm yr-1, comparable to geological evidence, but higher than most previous geodetic estimates, and a rotation rate of 4.0 ± 0.7° Myr-1 clockwise. The western Transverse Ranges transect a similar shear zone in coastal and offshore California, but at an angle of only 40°. As a result, the faults, which were sinistral when they were at a higher angle to the shear zone, have been reactivated in a dextral sense at a low rate, and the rate of rotation of the panel has decreased from its long-term rate of ˜5° to 1.6° ± 0.2° Myr-1 clockwise. These results help to resolve some of the apparent discrepancies between geological and geodetic slip-rate estimates, and provide an enhanced understanding of the mechanics of intracontinental transform systems.

A province-scale block model of Walker Lane and western Basin and Range crustal deformation constrained by GPS observations (Invited)

NASA Astrophysics Data System (ADS)

Hammond, W. C.; Bormann, J.; Blewitt, G.; Kreemer, C.

2013-12-01

The Walker Lane in the western Great Basin of the western United States is an 800 km long and 100 km wide zone of active intracontinental transtension that absorbs ~10 mm/yr, about 20% of the Pacific/North America plate boundary relative motion. Lying west of the Sierra Nevada/Great Valley microplate (SNGV) and adjoining the Basin and Range Province to the east, deformation is predominantly shear strain overprinted with a minor component of extension. The Walker Lane responds with faulting, block rotations, structural step-overs, and has distinct and varying partitioned domains of shear and extension. Resolving these complex deformation patterns requires a long term observation strategy with a dense network of GPS stations (spacing ~20 km). The University of Nevada, Reno operates the 373 station Mobile Array of GPS for Nevada transtension (MAGNET) semi-continuous network that supplements coverage by other networks such as EarthScope's Plate Boundary Observatory, which alone has insufficient density to resolve the deformation patterns. Uniform processing of data from these GPS mega-networks provides a synoptic view and new insights into the kinematics and mechanics of Walker Lane tectonics. We present velocities for thousands of stations with time series between 3 to 17 years in duration aligned to our new GPS-based North America fixed reference frame NA12. The velocity field shows a rate budget across the southern Walker Lane of ~10 mm/yr, decreasing northward to ~7 mm/yr at the latitude of the Mohawk Valley and Pyramid Lake. We model the data with a new block model that estimates rotations and slip rates of known active faults between the Mojave Desert and northern Nevada and northeast California. The density of active faults in the region requires including a relatively large number of blocks in the model to accurately estimate deformation patterns. With 49 blocks, our the model captures structural detail not represented in previous province-scale models, and improves our ability to compare results to geologic fault slip rates. Modeling the kinematics on this scale has the advantages of 1) reducing the impact of poorly constrained boundaries on small geographically limited models, 2) consistent modeling of rotations across major structural step-overs near the Mina deflection and Carson domain, 3) tracking the kinematics of the south-to-north varying budget of Walker Lane deformation by solving for extension in the Basin and Range to the east, and 4) using a contiguous SNGV as a uniform western kinematic boundary condition. We compare contemporary deformation to geologic slip rates and longer term rotation rates estimated from rock paleomagnetism. GPS-derived block rotation rates are somewhat dependent on model regularization, but are generally within 1° per million years, and tend to be slower than published paleomagnetic rotations rates. GPS data, together with neotectonic and rock paleomagnetism studies provide evidence that the relative importance of Walker Lane block rotations and fault slip continues to evolve, giving way to a more through-going system with slower rotation rates and higher slip rates on individual faults.

Tachometer Derived From Brushless Shaft-Angle Resolver

NASA Technical Reports Server (NTRS)

Howard, David E.; Smith, Dennis A.

1995-01-01

Tachometer circuit operates in conjunction with brushless shaft-angle resolver. By performing sequence of straightforward mathematical operations on resolver signals and utilizing simple trigonometric identity, generates voltage proportional to rate of rotation of shaft. One advantage is use of brushless shaft-angle resolver as main source of rate signal: no brushes to wear out, no brush noise, and brushless resolvers have proven robustness. No switching of signals to generate noise. Another advantage, shaft-angle resolver used as shaft-angle sensor, tachometer input obtained without adding another sensor. Present circuit reduces overall size, weight, and cost of tachometer.

The effect of plastic strain on the evolution of crystallographic texture in Zircaloy-2

NASA Astrophysics Data System (ADS)

Ballinger, R. G.; Lucas, G. E.; Pelloux, R. M.

1984-09-01

The evolution of crystallographic texture during plastic deformation was investigated in Zircaloy-2 using X-ray and metallographic techniques. Inverse pole figures, the resolved fraction of basal poles, and the volume fraction of twinned material, were determined as a function of plastic strain for several strain paths and initial textures at 298 K and 623 K. Incremental transverse platic strain ratios ( R) were mesured as a function of plastic strain. Texture rotation occurs early in the deformation process, after as little as 1.5% plastic strain. For compressive plastic strains, the resolved fraction of basal poles increases in the direction parallel to the strain axis. For tensile plastic strains, the resolved fraction of basal poles decreases in the direction parallel to the strain axis. The rate of change of the resolved fraction of basal poles with plastic strain is a function of the initial resolved fraction of basal poles. The texture rotation can be explained by considering the operation of the principal tensile twinning systems, {101¯2}<1¯011>.

Rotationally resolved colors of the targets of NASA's Lucy mission

NASA Astrophysics Data System (ADS)

Emery, Joshua; Mottola, Stefano; Brown, Mike; Noll, Keith; Binzel, Richard

2018-05-01

We propose rotationally resolved photometry at 3.6 and 4.5 um of 5 Trojan asteroids and one Main Belt asteroid - the targets of NASA's Lucy mission. The proposed Spitzer observations are designed to meet a combination of science goals and mission support objectives. Science goals 1) Search for signatures of volatiles and/or organics on the surfaces. a. This goal includes resolving a discrepancy between previous WISE and Spitzer measurements of Trojans 2) Provide new constraints on the cause of rotational spectral heterogeneity detected on 3548 Eurybates at shorter wavelengths a. Determine whether the heterogeneity (Fig 1) extends to the 3-5 um region 3) Assess the possibility for spectral heterogeneity on the other targets a. This goal will help test the hypothesis of Wong and Brown (2015) that the near-surface interiors of Trojans differ from their surfaces 4) Thermal data at 4.5 um for the Main Belt target Donaldjohanson will refine estimates of size, albedo, and provide the first estimate of thermal inertia Mission support objectives 1) Assess scientifically optimal encounter times (viewing geometries) for the fly-bys a. Characterizing rotational spectral units now will enable the team to choose the most scientifically valuable part of the asteroid to view 2) Gather data to optimize observing parameters for Lucy instruments a. Measuring brightness in the 3 - 5 um region and resolving the discrepancy between WISE and Spitzer will enable better planning of the Lucy spectral observations in this wavelength range 3) The size, albedo, and thermal inertia of Donaldjohanson are fundamental data for planning the encounter with that Main Belt asteroid

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

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

Haykal, I.; Margulès, L.; Huet, T. R.

2013-11-10

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

Rotational Spectroscopy of Methyl Vinyl Ketone

NASA Astrophysics Data System (ADS)

Zakharenko, Olena; Motiyenko, R. A.; Aviles Moreno, Juan-Ramon; Huet, T. R.

2015-06-01

Methyl vinyl ketone, MVK, along with previously studied by our team methacrolein, is a major oxidation product of isoprene, which is one of the primary contributors to annual global VOC emissions. In this talk we present the analysis of the rotational spectrum of MVK recorded at room temperature in the 50 -- 650 GHz region using the Lille spectrometer. The spectroscopic characterization of MVK ground state will be useful in the detailed analysis of high resolution infrared spectra. Our study is supported by high level quantum chemical calculations to model the structure of the two stable s-trans and s-cis conformers and to obtain the harmonic force field parameters, internal rotation barrier heights, and vibrational frequencies. In the Doppler-limited spectra the splittings due to the internal rotation of methyl group are resolved, therefore for analysis of this molecule we used the Rho-Axis-Method Hamiltonian and RAM36 code to fit the rotational transitions. At the present time the ground state of two conformers is analyzed. Also we intend to study some low lying excited states. The analysis is in progress and the latest results will be presented. Support from the French Laboratoire d'Excellence CaPPA (Chemical and Physical Properties of the Atmosphere) through contract ANR-10-LABX-0005 of the Programme d'Investissements d'Avenir is acknowledged.

Inducer Hydrodynamic Load Measurement Devices

NASA Technical Reports Server (NTRS)

Skelley, Stephen E.; Zoladz, Thomas F.

2002-01-01

Marshall Space Flight Center (MSFC) has demonstrated two measurement devices for sensing and resolving the hydrodynamic loads on fluid machinery. The first - a derivative of the six component wind tunnel balance - senses the forces and moments on the rotating device through a weakened shaft section instrumented with a series of strain gauges. This "rotating balance" was designed to directly measure the steady and unsteady hydrodynamic loads on an inducer, thereby defining both the amplitude and frequency content associated with operating in various cavitation modes. The second device - a high frequency response pressure transducer surface mounted on a rotating component - was merely an extension of existing technology for application in water. MSFC has recently completed experimental evaluations of both the rotating balance and surface-mount transducers in a water test loop. The measurement bandwidth of the rotating balance was severely limited by the relative flexibility of the device itself, resulting in an unexpectedly low structural bending mode and invalidating the higher frequency response data. Despite these limitations, measurements confirmed that the integrated loads on the four-bladed inducer respond to both cavitation intensity and cavitation phenomena. Likewise, the surface-mount pressure transducers were subjected to a range of temperatures and flow conditions in a non-rotating environment to record bias shifts and transfer functions between the transducers and a reference device. The pressure transducer static performance was within manufacturer's specifications and dynamic response accurately followed that of the reference.

Inducer Hydrodynamic Load Measurement Devices

NASA Technical Reports Server (NTRS)

Skelley, Stephen E.; Zoladz, Thomas F.; Turner, Jim (Technical Monitor)

2002-01-01

Marshall Space Flight Center (MSFC) has demonstrated two measurement devices for sensing and resolving the hydrodynamic loads on fluid machinery. The first - a derivative of the six-component wind tunnel balance - senses the forces and moments on the rotating device through a weakened shaft section instrumented with a series of strain gauges. This rotating balance was designed to directly measure the steady and unsteady hydrodynamic loads on an inducer, thereby defining both the amplitude and frequency content associated with operating in various cavitation modes. The second device - a high frequency response pressure transducer surface mounted on a rotating component - was merely an extension of existing technology for application in water. MSFC has recently completed experimental evaluations of both the rotating balance and surface-mount transducers in a water test loop. The measurement bandwidth of the rotating balance was severely limited by the relative flexibility of the device itself, resulting in an unexpectedly low structural bending mode and invalidating the higher-frequency response data. Despite these limitations, measurements confirmed that the integrated loads on the four-bladed inducer respond to both cavitation intensity and cavitation phenomena. Likewise, the surface-mount pressure transducers were subjected to a range of temperatures and flow conditions in a non-rotating environment to record bias shifts and transfer functions between the transducers and a reference device. The pressure transducer static performance was within manufacturer's specifications and dynamic response accurately followed that of the reference.

Secondary relaxation dynamics in rigid glass-forming molecular liquids with related structures.

PubMed

Li, Xiangqian; Wang, Meng; Liu, Riping; Ngai, Kia L; Tian, Yongjun; Wang, Li-Min; Capaccioli, Simone

2015-09-14

The dielectric relaxation in three glass-forming molecular liquids, 1-methylindole (1MID), 5H-5-Methyl-6,7-dihydrocyclopentapyrazine (MDCP), and Quinaldine (QN) is studied focusing on the secondary relaxation and its relation to the structural α-relaxation. All three glass-formers are rigid and more or less planar molecules with related chemical structures but have dipoles of different strengths at different locations. A strong and fast secondary relaxation is detected in the dielectric spectra of 1MID, while no resolved β-relaxation is observed in MDCP and QN. If the observed secondary relaxation in 1MID is identified with the Johari-Goldstein (JG) β-relaxation, then apparently the relation between the α- and β-relaxation frequencies of 1MID is not in accord with the Coupling Model (CM). The possibility of the violation of the prediction in 1MID as due to either the formation of hydrogen-bond induced clusters or the involvement of intramolecular degree of freedom is ruled out. The violation is explained by the secondary relaxation originating from the in-plane rotation of the dipole located on the plane of the rigid molecule, contributing to dielectric loss at higher frequencies and more intense than the JG β-relaxation generated by the out-of-plane rotation. MDCP has smaller dipole moment located in the plane of the molecule; however, presence of the change of curvature of dielectric loss, ε″(f), at some frequency on the high-frequency flank of the α-relaxation reveals the JG β-relaxation in MDCP and which is in accord with the CM prediction. QN has as large an in-plane dipole moment as 1MID, and the absence of the resolved secondary relaxation is explained by the smaller coupling parameter than the latter in the framework of the CM.

Interferometry in the era of time-domain astronomy

NASA Astrophysics Data System (ADS)

Schaefer, Gail H.; Cassan, Arnaud; Gallenne, Alexandre; Roettenbacher, Rachael M.; Schneider, Jean

2018-04-01

The physical nature of time variable objects is often inferred from photometric light-curves and spectroscopic variations. Long-baseline optical interferometry has the power to resolve the spatial structure of time variable sources directly in order to measure their physical properties and test the physics of the underlying models. Recent interferometric studies of variable objects include measuring the angular expansion and spatial structure during the early stages of novae outbursts, studying the transits and tidal distortions of the components in eclipsing and interacting binaries, measuring the radial pulsations in Cepheid variables, monitoring changes in the circumstellar discs around rapidly rotating massive stars, and imaging starspots. Future applications include measuring the image size and centroid displacements in gravitational microlensing events, and imaging the transits of exoplanets. Ongoing and upcoming photometric surveys will dramatically increase the number of time-variable objects detected each year, providing many potential targets to observe interferometrically. For short-lived transient events, it is critical for interferometric arrays to have the flexibility to respond rapidly to targets of opportunity and optimize the selection of baselines and beam combiners to provide the necessary resolution and sensitivity to resolve the source as its brightness and size change. We discuss the science opportunities made possible by resolving variable sources using long baseline optical interferometry.

A study on the anisole-water complex by molecular beam-electronic spectroscopy and molecular mechanics calculations.

PubMed

Becucci, M; Pietraperzia, G; Pasquini, M; Piani, G; Zoppi, A; Chelli, R; Castellucci, E; Demtroeder, W

2004-03-22

An experimental and theoretical study is made on the anisole-water complex. It is the first van der Waals complex studied by high resolution electronic spectroscopy in which the water is seen acting as an acid. Vibronically and rotationally resolved electronic spectroscopy experiments and molecular mechanics calculations are used to elucidate the structure of the complex in the ground and first electronic excited state. Some internal dynamics in the system is revealed by high resolution spectroscopy. (c) 2004 American Institute of Physics

Coherent spin transfer between molecularly bridged quantum dots.

PubMed

Ouyang, Min; Awschalom, David D

2003-08-22

Femtosecond time-resolved Faraday rotation spectroscopy reveals the instantaneous transfer of spin coherence through conjugated molecular bridges spanning quantum dots of different size over a broad range of temperature. The room-temperature spin-transfer efficiency is approximately 20%, showing that conjugated molecules can be used not only as interconnections for the hierarchical assembly of functional networks but also as efficient spin channels. The results suggest that this class of structures may be useful as two-spin quantum devices operating at ambient temperatures and may offer promising opportunities for future versatile molecule-based spintronic technologies.

Principal component analysis of molecular dynamics: On the use of Cartesian vs. internal coordinates

NASA Astrophysics Data System (ADS)

Sittel, Florian; Jain, Abhinav; Stock, Gerhard

2014-07-01

Principal component analysis of molecular dynamics simulations is a popular method to account for the essential dynamics of the system on a low-dimensional free energy landscape. Using Cartesian coordinates, first the translation and overall rotation need to be removed from the trajectory. Since the rotation depends via the moment of inertia on the molecule's structure, this separation is only straightforward for relatively rigid systems. Adopting millisecond molecular dynamics simulations of the folding of villin headpiece and the functional dynamics of BPTI provided by D. E. Shaw Research, it is demonstrated via a comparison of local and global rotational fitting that the structural dynamics of flexible molecules necessarily results in a mixing of overall and internal motion. Even for the small-amplitude functional motion of BPTI, the conformational distribution obtained from a Cartesian principal component analysis therefore reflects to some extend the dominant overall motion rather than the much smaller internal motion of the protein. Internal coordinates such as backbone dihedral angles, on the other hand, are found to yield correct and well-resolved energy landscapes for both examples. The virtues and shortcomings of the choice of various fitting schemes and coordinate sets as well as the generality of these results are discussed in some detail.

Principal component analysis of molecular dynamics: on the use of Cartesian vs. internal coordinates.

PubMed

Sittel, Florian; Jain, Abhinav; Stock, Gerhard

2014-07-07

Principal component analysis of molecular dynamics simulations is a popular method to account for the essential dynamics of the system on a low-dimensional free energy landscape. Using Cartesian coordinates, first the translation and overall rotation need to be removed from the trajectory. Since the rotation depends via the moment of inertia on the molecule's structure, this separation is only straightforward for relatively rigid systems. Adopting millisecond molecular dynamics simulations of the folding of villin headpiece and the functional dynamics of BPTI provided by D. E. Shaw Research, it is demonstrated via a comparison of local and global rotational fitting that the structural dynamics of flexible molecules necessarily results in a mixing of overall and internal motion. Even for the small-amplitude functional motion of BPTI, the conformational distribution obtained from a Cartesian principal component analysis therefore reflects to some extend the dominant overall motion rather than the much smaller internal motion of the protein. Internal coordinates such as backbone dihedral angles, on the other hand, are found to yield correct and well-resolved energy landscapes for both examples. The virtues and shortcomings of the choice of various fitting schemes and coordinate sets as well as the generality of these results are discussed in some detail.

A Characterization of Student Reflections in an Introductory Pharmacy Practice Experience Discussion Course.

PubMed

Dinkins, Melissa M; Haltom, Wesley R

2018-04-01

Objective. To characterize weekly student reflections in an introductory pharmacy practice experience (IPPE) discussion course meeting concurrently with IPPE rotations in institutional pharmacy. Methods. A qualitative analysis was conducted to identify themes within weekly reflective statements submitted by second year pharmacy students (P2) enrolled in an IPPE rotation and concurrent discussion course. Weekly reflections from the 2015-2016 offering of the course were reviewed by investigators to identify common themes via an iterative process. Subsequently, investigators coded each submission into one of the identified categories. Initial agreement between investigators was assessed using the Cohen kappa coefficient. Discrepancies between coding were resolved through discussion to reach consensus. Results. A total of 402 reflection assignments were reviewed from 85 P2 students enrolled in the IPPE course. Ten themes were identified, with the most common themes being interprofessional teamwork, pharmacist and technician roles and responsibilities, and policies and procedures. Substantial initial agreement between investigators was found, with the most discrepancies arising within the themes of medication distribution and pharmacy administration/organizational structure. Conclusion. Student reflections on IPPEs centered on 10 key topics, primarily related to distributive, legal, and regulatory functions of institutional pharmacy practice. Structuring an IPPE rotation longitudinally in an academic term, with a concurrent discussion course, builds a framework for regular student reflection.

Diode laser spectroscopy of the MnD radical ( 7Σ) and the determination of mass-independent parameters

NASA Astrophysics Data System (ADS)

Urban, Rolf-Dieter; Jones, Harold

1991-03-01

The infrared spectrum of the manganese deuteride radical has been observed in its ground electronic state ( 7Σ) using a diode-laser spectrometer. The hyperfine structure of a number of infrared transitions in the bands ν=1←0, ν=2←1 and ν=3←2 were measured with a nominal accuracy of ±0.001 cm -1. In all cases, the complete structure was easily resolved. Dunham parameters, spin—rotation and spin—spin coupling parameters were determined from the MnD data. A simultaneous fit of these data with those determined previously for MnH was carried out to determine mass-independent parameters and mass-scaling coefficients.

Cloud Atlas: Rotational Modulations in the L/T Transition Brown Dwarf Companion HN Peg B

NASA Technical Reports Server (NTRS)

Zhou, Yifan; Apai, Daniel; Metchev, Stanimir; Lew, Ben W. P.; Schneider, Glenn; Marley, Mark S.; Karalidi, Theodora; Manjavacas, Elena; Bedin, Luigi R.; Cowan, Nicolas B.;

Cloud Atlas: Rotational Modulations in the L/T Transition Brown Dwarf Companion HN Peg B

NASA Astrophysics Data System (ADS)

Zhou, Yifan; Apai, Dániel; Metchev, Stanimir; Lew, Ben W. P.; Schneider, Glenn; Marley, Mark S.; Karalidi, Theodora; Manjavacas, Elena; Bedin, Luigi R.; Cowan, Nicolas B.; Miles-Páez, Paulo A.; Lowrance, Patrick J.; Radigan, Jacqueline; Burgasser, Adam J.

2018-03-01

Time-resolved observations of brown dwarfs’ rotational modulations provide powerful insights into the properties of condensate clouds in ultra-cool atmospheres. Multi-wavelength light curves reveal cloud vertical structures, condensate particle sizes, and cloud morphology, which directly constrain condensate cloud and atmospheric circulation models. We report results from Hubble Space Telescope/Wide Field Camera 3 near-infrared G141 taken in six consecutive orbits observations of HN Peg B, an L/T transition brown dwarf companion to a G0V type star. The best-fit sine wave to the 1.1–1.7 μm broadband light curve has an amplitude of 1.206% ± 0.025% and period of 15.4 ± 0.5 hr. The modulation amplitude has no detectable wavelength dependence except in the 1.4 μm water absorption band, indicating that the characteristic condensate particle sizes are large (>1 μm). We detect significantly (4.4σ) lower modulation amplitude in the 1.4 μm water absorption band and find that HN Peg B’s spectral modulation resembles those of early T type brown dwarfs. We also describe a new empirical interpolation method to remove spectral contamination from the bright host star. This method may be applied in other high-contrast time-resolved observations with WFC3.

Experimental Observation of the Effects of Translational and Rotational Electrode Misalignment on a Planar Linear Ion Trap Mass Spectrometer

NASA Astrophysics Data System (ADS)

Tian, Yuan; Decker, Trevor K.; McClellan, Joshua S.; Wu, Qinghao; De la Cruz, Abraham; Hawkins, Aaron R.; Austin, Daniel E.

2018-04-01

The performance of miniaturized ion trap mass analyzers is limited, in part, by the accuracy with which electrodes can be fabricated and positioned relative to each other. Alignment of plates in a two-plate planar LIT is ideal to characterize misalignment effects, as it represents the simplest possible case, having only six degrees of freedom (DOF) (three translational and three rotational). High-precision motorized actuators were used to vary the alignment between the two ion trap plates in five DOFs—x, y, z, pitch, and yaw. A comparison between the experiment and previous simulations shows reasonable agreement. Pitch, or the degree to which the plates are parallel along the axial direction, has the largest and sharpest impact to resolving power, with resolving power dropping noticeably with pitch misalignment of a fraction of a degree. Lateral displacement (x) and yaw (rotation of one plate, but plates remain parallel) both have a strong impact on ion ejection efficiency, but little effect on resolving power. The effects of plate spacing (y-displacement) on both resolving power and ion ejection efficiency are attributable to higher-order terms in the trapping field. Varying the DC (axial) trapping potential can elucidate the effects where more misalignments in more than one DOF affect performance. Implications of these results for miniaturized ion traps are discussed. [Figure not available: see fulltext.

Rotationally resolved fluorescence spectroscopy of molecular iodine

NASA Astrophysics Data System (ADS)

Lemon, Christopher; Canagaratna, Sebastian; Gray, Jeffrey

2008-03-01

Vibration-electronic spectroscopy of I2 vapor is a common, important experiment in physical chemistry lab courses. We use narrow bandwidth diode-pumped solid state (DPSS) lasers to excite specific rotational levels; these lasers are surprisingly stable and are now available at low cost. We also use efficient miniature fiber-optic spectrometers to resolve rotational fluorescence patterns in a vibrational progression. The resolution enables thorough and accurate analysis of spectroscopic constants for the ground electronic state. The high signal-to-noise ratio, which is easily achieved, also enables students to precisely measure fluorescence band intensities, providing further insight into vibrational wavefunctions and the molecular potential function. We will provide a detailed list of parts for the apparatus as well as modeling algorithms with statistical evaluation to facilitate widespread adoption of these experimental improvements by instructors of intermediate and advanced lab courses.

The effect of vibrational autoionization on the H2+ X 2Σg+ state rotationally resolved photoionization dynamics

NASA Astrophysics Data System (ADS)

Holland, D. M. P.; Shaw, D. A.

2014-01-01

The effect of vibrational autoionization on the H2+ X 2Σg+ v+ = 3, N+ state rotationally resolved photoelectron angular distributions and branching ratios has been investigated with a velocity map imaging spectrometer and synchrotron radiation. In photon excitation regions free from the influence of autoionizing Rydberg states, where direct ionization dominates, the photoelectron anisotropy parameter associated with the X 1Σg+ v″ = 0, N″ = 1 → X 2Σg+ v+ = 3, N+ = 1 transition has a value close to the theoretical maximum. However, in the vicinity of a Rydberg state, vibrational autoionization leads to a substantial reduction in anisotropy. The value of the anisotropy parameter associated with the S-branch of the photoelectron spectrum is found to be considerably higher than that predicted under the assumption that the outgoing electron can be represented solely as a p-wave. This suggests that the f-wave contribution must be taken into account to obtain a proper description of the photoionization dynamics. The observed variations in the rotationally resolved branching ratios, in the vicinity of an autoionizing resonance, depend upon the rotational level of the Rydberg state. The rotationally averaged photoelectron anisotropy parameters have been compared with the corresponding, previously calculated, theoretical results and reasonable agreement has been found. The influence of vibrational autoionization on the H2+ X 2Σg+ v+ = 0, 1, 2, 3 vibrational branching ratios has also been investigated, and the experimental results show that, in energy regions encompassing Rydberg states, these ratios deviate strongly from the Franck-Condon factors for direct ionization.

Application toward Confocal Full-Field Microscopic X-ray Absorption Near Edge Structure Spectroscopy.

PubMed

Tack, Pieter; Vekemans, Bart; Laforce, Brecht; Rudloff-Grund, Jennifer; Hernández, Willinton Y; Garrevoet, Jan; Falkenberg, Gerald; Brenker, Frank; Van Der Voort, Pascal; Vincze, Laszlo

2017-02-07

Using X-ray absorption near edge structure (XANES) spectroscopy, information on the local chemical structure and oxidation state of an element of interest can be acquired. Conventionally, this information can be obtained in a spatially resolved manner by scanning a sample through a focused X-ray beam. Recently, full-field methods have been developed to obtain direct 2D chemical state information by imaging a large sample area. These methods are usually in transmission mode, thus restricting the use to thin and transmitting samples. Here, a fluorescence method is displayed using an energy-dispersive pnCCD detector, the SLcam, characterized by measurement times far superior to what is generally applicable. Additionally, this method operates in confocal mode, thus providing direct 3D spatially resolved chemical state information from a selected subvolume of a sample, without the need of rotating a sample. The method is applied to two samples: a gold-supported magnesia catalyst (Au/MgO) and a natural diamond containing Fe-rich inclusions. Both samples provide XANES spectra that can be overlapped with reference XANES spectra, allowing this method to be used for fingerprinting and linear combination analysis of known XANES reference compounds.

Discovery of a new motion mechanism of biomotors similar to the earth revolving around the sun without rotation

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

Guo, Peixuan, E-mail: peixuan.guo@uky.edu; Schwartz, Chad; Haak, Jeannie

Biomotors have been classified into linear and rotational motors. For 35 years, it has been popularly believed that viral dsDNA-packaging apparatuses are pentameric rotation motors. Recently, a third class of hexameric motor has been found in bacteriophage phi29 that utilizes a mechanism of revolution without rotation, friction, coiling, or torque. This review addresses how packaging motors control dsDNA one-way traffic; how four electropositive layers in the channel interact with the electronegative phosphate backbone to generate four steps in translocating one dsDNA helix; how motors resolve the mismatch between 10.5 bases and 12 connector subunits per cycle of revolution; and howmore » ATP regulates sequential action of motor ATPase. Since motors with all number of subunits can utilize the revolution mechanism, this finding helps resolve puzzles and debates concerning the oligomeric nature of packaging motors in many phage systems. This revolution mechanism helps to solve the undesirable dsDNA supercoiling issue involved in rotation. - Highlights: • New motion mechanism of revolution without rotation found for phi29 DNA packaging. • Revolution motor finding expands classical linear and rotation biomotor classes. • Revolution motors transport dsDNA unidirectionally without supercoiling. • New mechanism solves many puzzles, mysteries, and debates in biomotor studies. • Motors with all numbers of subunits can utilize the revolution mechanism.« less

A 100 au Wide Bipolar Rotating Shell Emanating from the HH 212 Protostellar Disk: A Disk Wind?

NASA Astrophysics Data System (ADS)

Lee, Chin-Fei; Li, Zhi-Yun; Codella, Claudio; Ho, Paul T. P.; Podio, Linda; Hirano, Naomi; Shang, Hsien; Turner, Neal J.; Zhang, Qizhou

2018-03-01

HH 212 is a Class 0 protostellar system found to host a “hamburger”-shaped dusty disk with a rotating disk atmosphere and a collimated SiO jet at a distance of ∼400 pc. Recently, a compact rotating outflow has been detected in SO and SO2 toward the center along the jet axis at ∼52 au (0.″13) resolution. Here we resolve the compact outflow into a small-scale wide-opening rotating outflow shell and a collimated jet, with the observations in the same S-bearing molecules at ∼16 au (0.″04) resolution. The collimated jet is aligned with the SiO jet, tracing the shock interactions in the jet. The wide-opening outflow shell is seen extending out from the inner disk around the SiO jet and has a width of ∼100 au. It is not only expanding away from the center, but also rotating around the jet axis. The specific angular momentum of the outflow shell is ∼40 au km s‑1. Simple modeling of the observed kinematics suggests that the rotating outflow shell can trace either a disk wind or disk material pushed away by an unseen wind from the inner disk or protostar. We also resolve the disk atmosphere in the same S-bearing molecules, confirming the Keplerian rotation there.

Scanning photoelectron microscope for nanoscale three-dimensional spatial-resolved electron spectroscopy for chemical analysis.

PubMed

Horiba, K; Nakamura, Y; Nagamura, N; Toyoda, S; Kumigashira, H; Oshima, M; Amemiya, K; Senba, Y; Ohashi, H

2011-11-01

In order to achieve nondestructive observation of the three-dimensional spatially resolved electronic structure of solids, we have developed a scanning photoelectron microscope system with the capability of depth profiling in electron spectroscopy for chemical analysis (ESCA). We call this system 3D nano-ESCA. For focusing the x-ray, a Fresnel zone plate with a diameter of 200 μm and an outermost zone width of 35 nm is used. In order to obtain the angular dependence of the photoelectron spectra for the depth-profile analysis without rotating the sample, we adopted a modified VG Scienta R3000 analyzer with an acceptance angle of 60° as a high-resolution angle-resolved electron spectrometer. The system has been installed at the University-of-Tokyo Materials Science Outstation beamline, BL07LSU, at SPring-8. From the results of the line-scan profiles of the poly-Si/high-k gate patterns, we achieved a total spatial resolution better than 70 nm. The capability of our system for pinpoint depth-profile analysis and high-resolution chemical state analysis is demonstrated. © 2011 American Institute of Physics

Vibrationally-Resolved Kinetic Isotope Effects in the Proton-Transfer Dynamics of Ground-State Tropolone

NASA Astrophysics Data System (ADS)

Chew, Kathryn; Vealey, Zachary; Vaccaro, Patrick

2015-06-01

The vibrational and isotopic dependence of the hindered (tunneling-mediated) proton-transfer reaction taking place in the ground electronic state ( X1{A}1) of monodeuterated tropolone (TrOD) has been explored under ambient (bulk-gas) conditions by applying two-color variants of resonant four-wave mixing (RFWM) spectroscopy in conjunction with polarization-resolved detection schemes designed to alleviate spectral complexity and facilitate rovibrational assignments. Full rotation-tunneling analyses of high-resolution spectral profiles acquired for the fundamental and first-overtone bands of a reaction-promoting O-D\\cdotsO deformation/ring-breathing mode, νb{36}(a1), were performed, thereby extracting refined structural and dynamical information that affords benchmarks for the quantitative interpretation of tunneling-induced signatures found in long-range scans of X1{A}1 vibrational levels residing below Etilde{X}vib = 1700 wn}. Observed kinetic isotope effects, which reflect changes in both reaction kinematics and vibrational displacements, will be discussed, with high-level quantum-chemical calculations serving to elucidate state-resolved propensities for proton transfer in TrOH and TrOD.

Conformation, structure and molecular solvation: a spectroscopic and computational study of 2-phenoxy ethanol and its singly and multiply hydrated clusters

NASA Astrophysics Data System (ADS)

Macleod, Neil A.; Simons, John P.

2002-10-01

The conformational landscapes of 2-phenoxy ethanol (POX) and its hydrated clusters have been studied in the gas-phase, providing a model for pharmaceutical β-blockers. A combination of experimental techniques, including resonant two-photon ionisation (R2PI), laser-induced-fluorescence (LIF) and resonant ion-dip infra-red spectroscopy (RIDIRS), coupled with high-level ab initio calculations has allowed the assignment of the individually resolved spectral features to discrete conformational and supra-molecular structures. Assignments were made by comparison of experimental vibrational spectra and partially resolved ultra-violet rotational band contours with those predicted from quantum chemical calculations. The isolated molecule displays a solitary structure with an extended geometry of the side-chain which is stabilised by an intramolecular hydrogen-bond between the alcohol (proton donor) and the ether (proton acceptor) groups of the side-chain. In singly hydrated clusters the water molecule is accommodated by insertion into the intramolecular hydrogen-bond. In the doubly hydrated and higher clusters cyclic structures are generated which incorporate both the water molecules and the terminal OH group of the side-chain; additional (weak) hydrogen bonded interactions with the phenoxy group provide a degree of selectivity but essentially, the water 'droplet' forms on the end of the alcohol side-chain.

A Two-Dimensional Manganese Gallium Nitride Surface Structure Showing Ferromagnetism at Room Temperature.

PubMed

Ma, Yingqiao; Chinchore, Abhijit V; Smith, Arthur R; Barral, María Andrea; Ferrari, Valeria

2018-01-10

Practical applications of semiconductor spintronic devices necessitate ferromagnetic behavior at or above room temperature. In this paper, we demonstrate a two-dimensional manganese gallium nitride surface structure (MnGaN-2D) which is atomically thin and shows ferromagnetic domain structure at room temperature as measured by spin-resolved scanning tunneling microscopy and spectroscopy. Application of small magnetic fields proves that the observed magnetic domains follow a hysteretic behavior. Two initially oppositely oriented MnGaN-2D domains are rotated into alignment with only 120 mT and remain mostly in alignment at remanence. The measurements are further supported by first-principles theoretical calculations which reveal highly spin-polarized and spin-split surface states with spin polarization of up to 95% for manganese local density of states.

Near ultraviolet photodissociation spectroscopy of Mn+(H2O) and Mn+(D2O)

NASA Astrophysics Data System (ADS)

Pearson, Wright L.; Copeland, Christopher; Kocak, Abdulkadir; Sallese, Zachary; Metz, Ricardo B.

2014-11-01

The electronic spectra of Mn+(H2O) and Mn+(D2O) have been measured from 30 000 to 35 000 cm-1 using photodissociation spectroscopy. Transitions are observed from the 7A1 ground state in which the Mn+ is in a 3d54s1 electronic configuration, to the 7B2 (3d54py) and 7B1 (3d54px) excited states with T0 = 30 210 and 32 274 cm-1, respectively. Each electronic transition has partially resolved rotational and extensive vibrational structure with an extended progression in the metal-ligand stretch at a frequency of ˜450 cm-1. There are also progressions in the in-plane bend in the 7B2 state, due to vibronic coupling, and the out-of-plane bend in the 7B1 state, where the calculation illustrates that this state is slightly non-planar. Electronic structure computations at the CCSD(T)/aug-cc-pVTZ and TD-DFT B3LYP/6-311++G(3df,3pd) level are also used to characterize the ground and excited states, respectively. These calculations predict a ground state Mn-O bond length of 2.18 Å. Analysis of the experimentally observed vibrational intensities reveals that this bond length decreases by 0.15 ± 0.015 Å and 0.14 ± 0.01 Å in the excited states. The behavior is accounted for by the less repulsive px and py orbitals causing the Mn+ to interact more strongly with water in the excited states than the ground state. The result is a decrease in the Mn-O bond length, along with an increase in the H-O-H angle. The spectra have well resolved K rotational structure. Fitting this structure gives spin-rotation constants ɛaa″ = -3 ± 1 cm-1 for the ground state and ɛaa' = 0.5 ± 0.5 cm-1 and ɛaa' = -4.2 ± 0.7 cm-1 for the first and second excited states, respectively, and A' = 12.8 ± 0.7 cm-1 for the first excited state. Vibrationally mediated photodissociation studies determine the O-H antisymmetric stretching frequency in the ground electronic state to be 3658 cm-1.

Kinematics and mass modelling of M33: Hα observations

NASA Astrophysics Data System (ADS)

Kam, Z. S.; Carignan, C.; Chemin, L.; Amram, P.; Epinat, B.

2015-06-01

As part of a long-term project to revisit the kinematics and dynamics of the large disc galaxies of the Local Group, we present the first deep, wide-field (˜42 arcmin × 56 arcmin) 3D-spectroscopic survey of the ionized gas disc of Messier 33. Fabry-Perot interferometry has been used to map its Hα distribution and kinematics at unprecedented angular resolution (≲3 arcsec) and resolving power (˜12 600), with the 1.6 m telescope at the Observatoire du Mont Mégantic. The ionized gas distribution follows a complex, large-scale spiral structure, unsurprisingly coincident with the already-known spiral structures of the neutral and molecular gas discs. The kinematical analysis of the velocity field shows that the rotation centre of the Hα disc is distant from the photometric centre by ˜168 pc (sky-projected distance) and that the kinematical major-axis position angle and disc inclination are in excellent agreement with photometric values. The Hα rotation curve agrees very well with the H I rotation curves for 0 < R < 6.5 kpc, but the Hα velocities are 10-20 km s-1 higher for R > 6.5 kpc. The reason for this discrepancy is not well understood. The velocity dispersion profile is relatively flat around 16 km s-1, which is at the low end of velocity dispersions of nearby star-forming galactic discs. A strong relation is also found between the Hα velocity dispersion and the Hα intensity. Mass models were obtained using the Hα rotation curve but, as expected, the dark matter halo's parameters are not very well constrained since the optical rotation curve only extends out to 8 kpc.

Analysis of the Rotational Structure of ˜{B}^2A' ← ˜{X}^2A' Transition of Isopropoxy Radical: Isolated State vs. Coupled States Model

NASA Astrophysics Data System (ADS)

Melnik, Dmitry G.; Miller, Terry A.; Liu, Jinjun

2013-06-01

Isopropoxy radicals are reactive intermediates in atmospheric and combustion chemistry. From the theoretical point of view, they represent an extreme case of ``isotopically'' substituted methoxy radicals with two methyl groups playing the role of heavy hydrogen isotopes. Previously the rotationally resolved spectra of ˜{B}^2A' ← ˜{X}^2A' electronic transition were successfully analyzed using a simple effective rotational Hamiltonian of the isolated ˜{X} and ˜{B} states. However, a number of the experimentally determined parameters appeared dramatically inconsistent with the quantum chemistry calculations and theoretical predictions based on the symmetry arguments. Recently, we analyzed these spectra using a coupled two state model, which explicitly includes interactions between the ground ˜{X}^2A' state and low-lying excited ˜{A}^2A^'' state. In this presentation we will discuss the results of this analysis and compare the parameters of both models and their physical significance. D. G. Melnik, T. A. Miller and J. Liu, TI15, 67^{th Molecular Spectroscopy Symposium}, Columbus, 2012

A Spatially Resolving X-ray Crystal Spectrometer for Measurement of Ion-temperature and Rotation-velocity Profiles on the AlcatorC-Mod Tokamak

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

Hill, K. W.; Bitter, M. L.; Scott, S. D.

2009-03-24

A new spatially resolving x-ray crystal spectrometer capable of measuring continuous spatial profiles of high resolution spectra (λ/dλ > 6000) of He-like and H-like Ar Kα lines with good spatial (~1 cm) and temporal (~10 ms) resolutions has been installed on the Alcator C-Mod tokamak. Two spherically bent crystals image the spectra onto four two-dimensional Pilatus II pixel detectors. Tomographic inversion enables inference of local line emissivity, ion temperature (Ti), and toroidal plasma rotation velocity (vφ) from the line Doppler widths and shifts. The data analysis techniqu

The H + OCS hot atom reaction - CO state distributions and translational energy from time-resolved infrared absorption spectroscopy

NASA Technical Reports Server (NTRS)

Nickolaisen, Scott L.; Cartland, Harry E.

1993-01-01

Time-resolved infrared diode laser spectroscopy has been used to probe CO internal and translational excitation from the reaction of hot H atoms with OCS. Product distributions should be strongly biased toward the maximum 1.4 eV collision energy obtained from 278 nm pulsed photolysis of HI. Rotations and vibrations are both colder than predicted by statistical density of states theory, as evidenced by large positive surprisal parameters. The bias against rotation is stronger than that against vibration, with measurable population as high as v = 4. The average CO internal excitation is 1920/cm, accounting for only 13 percent of the available energy. Of the energy balance, time-resolved sub-Doppler line shape measurements show that more than 38 percent appears as relative translation of the separating CO and SH fragments. Studies of the relaxation kinetics indicate that some rotational energy transfer occurs on the time scale of our measurements, but the distributions do not relax sufficiently to alter our conclusions. Vibrational distributions are nascent, though vibrational relaxation of excited CO is unusually fast in the OCS bath, with rates approaching 3 percent of gas kinetic for v = 1.

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.

Shape dependent resonant modes of skyrmions in magnetic nanodisks

NASA Astrophysics Data System (ADS)

Liu, Yizhou; Lake, Roger K.; Zang, Jiadong

2018-06-01

Resonant modes of a single Néel type skyrmion in confined nanodisks with varying aspect ratios (AR) are investigated using micromagnetic simulations. The AR of the skyrmion has a non-linear dependence on that of the nanodisk. The power spectra of skyrmions in nanodisks with AR ranging from 1.0 to 2.0 are calculated. With the increase of disk AR, multiple new modes emerge in the power spectrum, which originate from the broken rotational symmetry of both the nanodisk and the skyrmion. All of the spin wave modes are resolved by spatial maps of the real time magnetization fluctuations. New mixed modes such as rotation modes and oscillation modes with different azimuthal and radial components are identified in the elliptical nanodisk with AR = 1.8. The new emergent modes may provide new approaches to skyrmion-based oscillators and spin wave sources in confined structures.

Mass loss from red giants - Infrared spectroscopy

NASA Technical Reports Server (NTRS)

Wannier, P. G.

1985-01-01

A discussion is presented of IR spectroscopy, particularly high-resolution spectroscopy in the approximately 1-20 micron band, as it impacts the study of circumstellar envelopes. The molecular bands within this region contain an enormous amount of information, especially when observed with sufficient resolution to obtain kinematic information. In a single spectrum, it is possible to resolve lines from up to 50 different rotational/vibrational levels of a given molecule and to detect several different isotopic variants. When high resolution techniques are combined with mapping techniques and/or time sequence observations of variable stars, the resulting information can paint a very detailed picture of the mass-loss phenomenon. To date, near-IR observations have been made of 20 molecular species. CO is the most widely observed molecule and useful information has been gleaned from the observed rotational excitation, kinematics, time variability and spatial structure of its lines. Examples of different observing techniques are discussed in the following sections.

Fourier transform microwave spectroscopy of the SiCl+ ion

NASA Astrophysics Data System (ADS)

Tanaka, Keiichi; Harada, Kensuke; Cabezas, Carlos; Endo, Yasuki

2018-03-01

Fourier transform microwave spectra for the J = 1 ← 0 and 2 ← 1 rotational transitions of the SiCl+ ion were observed for two isotopologues (35 Cl and 37 Cl) in the ground and the first excited vibrational states of the ground 1Σ+ electronic state. Thanks to the high resolution of the FTMW spectrometer, hyperfine structures due to the quadrupole moment of the chlorine nucleus and the nuclear spin-rotation interaction were fully resolved. The observed FTMW spectra were combined with previously reported MMW and diode laser spectra in an analysis to determine the mass-independent Dunham coefficients Uk,l as well as a mass scaling parameter Δ01Cl = - 0.856 (30) . The equilibrium bond length of SiCl+ determined is re = 1.9439729 (10) Å and the nuclear quadrupole coupling constant of Si35 Cl+ is eQqe = - 11.8788 (23) MHz.

The rotationally modulated Zeeman spectrum at nearly 10 to the 9th Gauss of the white dwarf PG 1031 + 234

NASA Technical Reports Server (NTRS)

Latter, William B.; Schmidt, Gary D.; Green, Richard F.

1987-01-01

Detailed analyses are performed of high-quality, phase-resolved CCD spectroscopy of the absorption-line spectrum throughout its rotation period of the new white dwarf PG 1031 + 234. The spectral variations are discussed and compared with new theoretical calculations of the behavior of hydrogen in strong magnetic fields. This analysis is then extended through a modeling procedure which produces a synthetic magnetically distorted spectrum for a star of arbitrary field strength and structure. The results confirm that PG 1031 + 234 possesses the strongest field yet detected on a white dwarf, with regions on the surface spanning the range of about 200 to nearly 1000 MG. The spectroscopic data reflect a field pattern containing a slightly offset global component of polar field strength of about 500 MG together with a localized magnetic 'spot' whose central field approaches 2000 MG.

Turbulent flow in rib-roughened channel under the effect of Coriolis and rotational buoyancy forces

NASA Astrophysics Data System (ADS)

Coletti, Filippo; Jacono, David Lo; Cresci, Irene; Arts, Tony

2014-04-01

The turbulent flow inside a rotating channel provided with transverse ribs along one wall is studied by means of two-dimensional time-resolved particle image velocimetry. The measurement set-up is mounted on the same rotating disk with the test section, allowing to obtain the same accuracy and resolution as in a non-rotating rig. The Reynolds number is 15 000, and the rotation number is 0.38. As the ribbed wall is heated, both the Coriolis force and the centrifugal force play a role in the fluid dynamics. The mean velocity fields highlight the major impact of the rotational buoyancy (characterized by a buoyancy number of 0.31) on the flow along the leading side of the duct. In particular, since the flow is directed radially outward, the near-wall layers experience significant centripetal buoyancy. The recirculation area behind the obstacles is enlarged to the point of spanning the whole inter-rib space. Also the turbulent fluctuations are significantly altered, and overall augmented, with respect to the non-buoyant case, resulting in higher turbulence levels far from the rib. On the other hand the centrifugal force has little or no impact on the flow along the trailing wall. Vortex identification, proper orthogonal decomposition, and two-point correlations are used to highlight rotational effects, and in particular to determine the dominant scales of the turbulent unsteady flow, the time-dependent behavior of the shear layer and of the recirculation bubble behind the wall-mounted obstacles, the lifetime and advection velocity of the coherent structures.

On kinetics of a dynamically unbalanced rotator with sliding friction in supports

NASA Astrophysics Data System (ADS)

Chistyakov, Viktor V.

2018-05-01

The dynamics is analytically and numerically modelled for both free and forced rotations of a rigid body around the central but non-principal vertical axis Oz under action of dry friction forces in plain bearings and heel supports in combination with other dissipative and conservative axial torques. The inertia forces due to D'Alembert principle cause the supports' reactions and hence the decelerating friction torque depending on not only angular speed but acceleration too. This dependence makes the dynamical equations not resolved with regard to the senior derivative and ambiguous, and being thus resolved they have an irrational or singular right hand side. This irrationality/singularity results in their featured solutions or paradoxical absence of those in frames of absolutely rigid body approach. The kinetics obtained is analyzed and compared with the standard ones of rotation under action of conservative elastic and drag torques.

Continuous wave dye-laser technique for simultaneous, spatially resolved measurements of temperature, pressure, and velocity of NO in an underexpanded free jet

NASA Technical Reports Server (NTRS)

Di Rosa, Michael D.; Chang, Albert Y.; Hanson, Ronald K.

1993-01-01

Gas dynamic quantities within an underexpanded nitrogen free jet, seeded with 0.5 percent NO, were measured nonintrusively by using an intracavity-doubled, rapid-tuning, CW ring dye laser. The UV beam passed obliquely through the jet axis, and its frequency repetitively scanned across adjacent rotational lines in the NO gamma band near 225 nm at a rate of 4 kHz. Spatially resolved excitation scans were obtained by monitoring the induced broadband fluoresence. Modeling the Doppler-shifted excitation scans with Voigt profiles permitted simultaneous determinations of NO velocity, rotational temperature, and pressure. Zero Doppler shift was referenced to an absorption trace obtained across a static cell and recorded concurrently with the excitation scan. Typically, the measured and predicted axial distributions agreed within 10 percent. At high Mach numbers there was evidence of rotational freezing of NO.

Probing molecular potentials with an optical centrifuge.

PubMed

Milner, A A; Korobenko, A; Hepburn, J W; Milner, V

2017-09-28

We use an optical centrifuge to excite coherent rotational wave packets in N 2 O, OCS, and CS 2 molecules with rotational quantum numbers reaching up to J≈465, 690, and 1186, respectively. Time-resolved rotational spectroscopy at such ultra-high levels of rotational excitation can be used as a sensitive tool to probe the molecular potential energy surface at internuclear distances far from their equilibrium values. Significant bond stretching in the centrifuged molecules results in the growing period of the rotational revivals, which are experimentally detected using coherent Raman scattering. We measure the revival period as a function of the centrifuge-induced rotational frequency and compare it with the numerical calculations based on the known Morse-cosine potentials.

Probing molecular potentials with an optical centrifuge

NASA Astrophysics Data System (ADS)

Milner, A. A.; Korobenko, A.; Hepburn, J. W.; Milner, V.

2017-09-01

We use an optical centrifuge to excite coherent rotational wave packets in N2O, OCS, and CS2 molecules with rotational quantum numbers reaching up to J ≈465 , 690, and 1186, respectively. Time-resolved rotational spectroscopy at such ultra-high levels of rotational excitation can be used as a sensitive tool to probe the molecular potential energy surface at internuclear distances far from their equilibrium values. Significant bond stretching in the centrifuged molecules results in the growing period of the rotational revivals, which are experimentally detected using coherent Raman scattering. We measure the revival period as a function of the centrifuge-induced rotational frequency and compare it with the numerical calculations based on the known Morse-cosine potentials.

The Jet-Cooled High-Resolution IR Spectrum of Formic Acid Cyclic Dimer

NASA Astrophysics Data System (ADS)

Goubet, Manuel; Bteich, Sabath; Huet, Therese R.; Pirali, Olivier; Asselin, Pierre; Soulard, Pascale; Jabri, Atef; Roy, P.; Georges, Robert

2017-06-01

As the simplest carboxylic acid, formic acid (FA) is an excellent model molecule to investigate the general properties of carboxylic acids. FA is also an atmospherically and astrophysically relevant molecule. It is well known that its dimeric form is predominant in the gas phase at temperatures below 423 K. The cyclic conformation of the dimer (FACD) is an elementary system to be understood for the concerted hydrogen transfer through equivalent hydrogen bonds, an essential process within biomolecules. The IR range is a crucial spectral region, particularly the far-IR, as it gives a direct access to the intermolecular vibrational modes involved in this process. Moreover, due to its centrosymmetric conformation, the FACD exhibits no pure rotation spectrum and, due to spectral line congestion and Doppler broadening, IR bands cannot be rotationally resolved at room temperature. So far, only parts of the ν_{5}-GS band (C-O stretch) have been observed under jet-cooled conditions using laser techniques. We present here six rotationally resolved IR bands of FACD recorded under jet-cooled conditions using the Jet-AILES apparatus and the QCL spectrometer at MONARIS, including the far-IR ν_{24}-GS band (intermolecular in-plane bending). Splitting due to vibration-rotation-tunneling motions are clearly observed. A full spectral analysis is in progress starting from the GS constants obtained by Goroya et al. and with the support of electronic structure calculations. T. Miyazawa and K. S. Pitzer, J. Am. Chem. Soc. 81, 74, 1959 R. Georges, M. Freytes, D. Hurtmans, I. Kleiner, J. Vander Auwera, M. Herman, Chem. Phys. 305, 187, 2004 M. Ortlieb and M. Havenith, J. Phys. Chem. A 111, 7355, 2007; K. G. Goroya, Y. Zhu, P. Sun and C. Duan, J. Chem. Phys. 140, 164311, 2014 This work is supported by the CaPPA project (Chemical and Physical Properties of the Atmosphere) ANR-11-LABX-0005-01

Kinematical line broadening and spatially resolved line profiles from AGN.

NASA Astrophysics Data System (ADS)

Schulz, H.; Muecke, A.; Boer, B.; Dresen, M.; Schmidt-Kaler, T.

1995-03-01

We study geometrical effects for emission-line broadening in the optically thin limit by integrating the projected line emissivity along prespecified lines of sight that intersect rotating or expanding disks or cone-like configurations. Analytical expressions are given for the case that emissivity and velocity follow power laws of the radial distance. The results help to interpret spatially resolved spectra and to check the reliability of numerical computations. In the second part we describe a numerical code applicable to any geometrical configuration. Turbulent motions, atmospheric seeing and effects induced by the size of the observing aperture are simulated with appropriate convolution procedures. An application to narrow-line Hα profiles from the central region of the Seyfert galaxy NGC 7469 is presented. The shapes and asymmetries as well as the relative strengths of the Hα lines from different spatial positions can be explained by emission from a nuclear rotating disk of ionized gas, for which the distribution of Hα line emissivity and the rotation curve are derived. Appreciable turbulent line broadening with a Gaussian σ of ~40% of the rotational velocity has to be included to obtain a satisfactory fit.

Simulations of turbulent rotating flows using a subfilter scale stress model derived from the partially integrated transport modeling method

NASA Astrophysics Data System (ADS)

Chaouat, Bruno

2012-04-01

The partially integrated transport modeling (PITM) method [B. Chaouat and R. Schiestel, "A new partially integrated transport model for subgrid-scale stresses and dissipation rate for turbulent developing flows," Phys. Fluids 17, 065106 (2005), 10.1063/1.1928607; R. Schiestel and A. Dejoan, "Towards a new partially integrated transport model for coarse grid and unsteady turbulent flow simulations," Theor. Comput. Fluid Dyn. 18, 443 (2005), 10.1007/s00162-004-0155-z; B. Chaouat and R. Schiestel, "From single-scale turbulence models to multiple-scale and subgridscale models by Fourier transform," Theor. Comput. Fluid Dyn. 21, 201 (2007), 10.1007/s00162-007-0044-3; B. Chaouat and R. Schiestel, "Progress in subgrid-scale transport modelling for continuous hybrid non-zonal RANS/LES simulations," Int. J. Heat Fluid Flow 30, 602 (2009), 10.1016/j.ijheatfluidflow.2009.02.021] viewed as a continuous approach for hybrid RANS/LES (Reynolds averaged Navier-Stoke equations/large eddy simulations) simulations with seamless coupling between RANS and LES regions is used to derive a subfilter scale stress model in the framework of second-moment closure applicable in a rotating frame of reference. This present subfilter scale model is based on the transport equations for the subfilter stresses and the dissipation rate and appears well appropriate for simulating unsteady flows on relatively coarse grids or flows with strong departure from spectral equilibrium because the cutoff wave number can be located almost anywhere inside the spectrum energy. According to the spectral theory developed in the wave number space [B. Chaouat and R. Schiestel, "From single-scale turbulence models to multiple-scale and subgrid-scale models by Fourier transform," Theor. Comput. Fluid Dyn. 21, 201 (2007), 10.1007/s00162-007-0044-3], the coefficients used in this model are no longer constants but they are some analytical functions of a dimensionless parameter controlling the spectral distribution of turbulence. The pressure-strain correlation term encompassed in this model is inspired from the nonlinear SSG model [C. G. Speziale, S. Sarkar, and T. B. Gatski, "Modelling the pressure-strain correlation of turbulence: an invariant dynamical systems approach," J. Fluid Mech. 227, 245 (1991), 10.1017/S0022112091000101] developed initially for homogeneous rotating flows in RANS methodology. It is modeled in system rotation using the principle of objectivity. Its modeling is especially extended in a low Reynolds number version for handling non-homogeneous wall flows. The present subfilter scale stress model is then used for simulating large scales of rotating turbulent flows on coarse and medium grids at moderate, medium, and high rotation rates. It is also applied to perform a simulation on a refined grid at the highest rotation rate. As a result, it is found that the PITM simulations reproduce fairly well the mean features of rotating channel flows allowing a drastic reduction of the computational cost in comparison with the one required for performing highly resolved LES. Overall, the mean velocities and turbulent stresses are found to be in good agreement with the data of highly resolved LES [E. Lamballais, O. Metais, and M. Lesieur, "Spectral-dynamic model for large-eddy simulations of turbulent rotating flow," Theor. Comput. Fluid Dyn. 12, 149 (1998)]. The anisotropy character of the flow resulting from the rotation effects is also well reproduced in accordance with the reference data. Moreover, the PITM2 simulations performed on the medium grid predict qualitatively well the three-dimensional flow structures as well as the longitudinal roll cells which appear in the anticyclonic wall-region of the rotating flows. As expected, the PITM3 simulation performed on the refined grid reverts to highly resolved LES. The present model based on a rational formulation appears to be an interesting candidate for tackling a large variety of engineering flows subjected to rotation.

Reynolds number dependency of an insect-based flapping wing.

PubMed

Han, Jong-Seob; Chang, Jo-Won; Kim, Sun-Tae

2014-01-01

Aerodynamic characteristics depending on Reynolds number (Re) ranges were studied to investigate the suitable design parameters of an insect-based micro air vehicle (MAV). The tests centered on the wing rotation timing and Re ranges, and were conducted to understand the lift augmentations and unsteady effects. A dynamically scaled-up flapping wing controlled by a pair of servos was installed underwater with a micro force/torque sensor. A high-speed camera and a laser sheet were also put in front of the water tank for the time-resolved digital particle image velocimetry (DPIV). The lift augmentations clearly appeared at low Re and were well reflected on the insect's flight range. In the case of the high Re, however, the peak standing for the wing–wake interaction was delayed, and the pitching-up rotation was not able to lead to another lift enhancement, i.e., rotational lift. In such Re, the mean CL and the L/D of the advanced rotation were substantially decreased from those of the other rotations. The DPIV results at high Re well described turbulent characteristics such as the irregular, unstable, and high-intensity vortex structures with a short temporal delay. In the advanced rotation, the LEV in the rotational phase could not maintain the attachment. Thus, the rotational lift was not able to work. On the contrary, the temporal response delay benefitted the wing in the delayed rotation. Therefore, the wing in the delayed rotation had both a similar level of the mean CL and a higher marked L/D than those of the advanced rotation. Such results indicate that the high Re could interrupt lift augmentation mechanisms, and these augmentations would not be suitable for a heavier MAV. In conclusion, using adequate wing kinematics to acquire estimations of the weight and range of the Re is highly recommended at the aerodynamic design step.

Dynamic Control of Aerodynamic Instabilities in Gas Turbine Engines

NASA Technical Reports Server (NTRS)

Greitzer, E. M.; Epstein, A. H.; Guenette, G. R.; Gysling, D. L.; Haynes, J.; Hendricks, G. J.; Paduano, J.; Simon, J. S.; Valavani, L.

1992-01-01

This lecture discusses the use of closed loop control at the component level to enhance the performance of gas turbine engines. The general theme is the suppression of flow instabilities (rotating stall and surge) through use of feedback, either actively or by means of the aeromechanical coupling provided by tailored structures. The basic concepts that underlie active control of turbomachinery instability, and their experimental demonstration, are first described for a centrifugal compressor. It is shown that the mechanism for stabilization is associated with damping of unsteady perturbations in the compression system, and the steady-state performance can thus remain virtually unaltered. Control of instability using a tailored structure is then discussed, along with experimental results illustrating the flow range extension achievable using this technique. A considerably more complex problem is presented by active control or rotating stall where the multi-dimensional features mean that distributed sensing and actuation are required. In addition, there are basic questions concerning unsteady fluid mechanics; these imply the need to resolve issues connected with identification of suitable signals as well as with definition of appropriate wave launchers for implementing the feedback. These issues are discussed and the results of initial successful demonstrations of active control of rotating stall in a single-stage and a three-stage axial compressor are presented. The lecture concludes with suggestions for future research on dynamic control of gas turbine engines.

Angle-resolved molecular beam scattering of NO at the gas-liquid interface.

PubMed

Zutz, Amelia; Nesbitt, David J

2017-08-07

This study presents first results on angle-resolved, inelastic collision dynamics of thermal and hyperthermal molecular beams of NO at gas-liquid interfaces. Specifically, a collimated incident beam of supersonically cooled NO ( 2 Π 1/2 , J = 0.5) is directed toward a series of low vapor pressure liquid surfaces ([bmim][Tf 2 N], squalane, and PFPE) at θ inc = 45(1)°, with the scattered molecules detected with quantum state resolution over a series of final angles (θ s = -60°, -30°, 0°, 30°, 45°, and 60°) via spatially filtered laser induced fluorescence. At low collision energies [E inc = 2.7(9) kcal/mol], the angle-resolved quantum state distributions reveal (i) cos(θ s ) probabilities for the scattered NO and (ii) electronic/rotational temperatures independent of final angle (θ s ), in support of a simple physical picture of angle independent sticking coefficients and all incident NO thermally accommodating on the surface. However, the observed electronic/rotational temperatures for NO scattering reveal cooling below the surface temperature (T elec < T rot < T S ) for all three liquids, indicating a significant dependence of the sticking coefficient on NO internal quantum state. Angle-resolved scattering at high collision energies [E inc = 20(2) kcal/mol] has also been explored, for which the NO scattering populations reveal angle-dependent dynamical branching between thermal desorption and impulsive scattering (IS) pathways that depend strongly on θ s . Characterization of the data in terms of the final angle, rotational state, spin-orbit electronic state, collision energy, and liquid permit new correlations to be revealed and investigated in detail. For example, the IS rotational distributions reveal an enhanced propensity for higher J/spin-orbit excited states scattered into near specular angles and thus hotter rotational/electronic distributions measured in the forward scattering direction. Even more surprisingly, the average NO scattering angle (⟨θ s ⟩) exhibits a remarkably strong correlation with final angular momentum, N, which implies a linear scaling between net forward scattering propensity and torque delivered to the NO projectile by the gas-liquid interface.

Angle-resolved molecular beam scattering of NO at the gas-liquid interface

NASA Astrophysics Data System (ADS)

Zutz, Amelia; Nesbitt, David J.

2017-08-01

This study presents first results on angle-resolved, inelastic collision dynamics of thermal and hyperthermal molecular beams of NO at gas-liquid interfaces. Specifically, a collimated incident beam of supersonically cooled NO (2 Π 1/2, J = 0.5) is directed toward a series of low vapor pressure liquid surfaces ([bmim][Tf2N], squalane, and PFPE) at θinc = 45(1)°, with the scattered molecules detected with quantum state resolution over a series of final angles (θs = -60°, -30°, 0°, 30°, 45°, and 60°) via spatially filtered laser induced fluorescence. At low collision energies [Einc = 2.7(9) kcal/mol], the angle-resolved quantum state distributions reveal (i) cos(θs) probabilities for the scattered NO and (ii) electronic/rotational temperatures independent of final angle (θs), in support of a simple physical picture of angle independent sticking coefficients and all incident NO thermally accommodating on the surface. However, the observed electronic/rotational temperatures for NO scattering reveal cooling below the surface temperature (Telec < Trot < TS) for all three liquids, indicating a significant dependence of the sticking coefficient on NO internal quantum state. Angle-resolved scattering at high collision energies [Einc = 20(2) kcal/mol] has also been explored, for which the NO scattering populations reveal angle-dependent dynamical branching between thermal desorption and impulsive scattering (IS) pathways that depend strongly on θs. Characterization of the data in terms of the final angle, rotational state, spin-orbit electronic state, collision energy, and liquid permit new correlations to be revealed and investigated in detail. For example, the IS rotational distributions reveal an enhanced propensity for higher J/spin-orbit excited states scattered into near specular angles and thus hotter rotational/electronic distributions measured in the forward scattering direction. Even more surprisingly, the average NO scattering angle (⟨θs⟩) exhibits a remarkably strong correlation with final angular momentum, N, which implies a linear scaling between net forward scattering propensity and torque delivered to the NO projectile by the gas-liquid interface.

Crystal structure of the motor domain of a class-I myosin

PubMed Central

Kollmar, Martin; Dürrwang, Ulrike; Kliche, Werner; Manstein, Dietmar J.; Kull, F.Jon

2002-01-01

The crystal structure of the motor domain of Dictyostelium discoideum myosin-IE, a monomeric unconventional myosin, was determined. The crystallographic asymmetric unit contains four independently resolved molecules, highlighting regions that undergo large conformational changes. Differences are particularly pronounced in the actin binding region and the converter domain. The changes in position of the converter domain reflect movements both parallel to and perpendicular to the actin axis. The orientation of the converter domain is ∼30° further up than in other myosin structures, indicating that MyoE can produce a larger power stroke by rotating its lever arm through a larger angle. The role of extended loops near the actin-binding site is discussed in the context of cellular localization. The core regions of the motor domain are similar, and the structure reveals how that core is stabilized in the absence of an N-terminal SH3-like domain. PMID:12032065

Non-contact measurement of rotation angle with solo camera

NASA Astrophysics Data System (ADS)

Gan, Xiaochuan; Sun, Anbin; Ye, Xin; Ma, Liqun

2015-02-01

For the purpose to measure a rotation angle around the axis of an object, a non-contact rotation angle measurement method based on solo camera was promoted. The intrinsic parameters of camera were calibrated using chessboard on principle of plane calibration theory. The translation matrix and rotation matrix between the object coordinate and the camera coordinate were calculated according to the relationship between the corners' position on object and their coordinates on image. Then the rotation angle between the measured object and the camera could be resolved from the rotation matrix. A precise angle dividing table (PADT) was chosen as the reference to verify the angle measurement error of this method. Test results indicated that the rotation angle measurement error of this method did not exceed +/- 0.01 degree.

Rotationally resolved photoelectron spectroscopy of n-H/sub 2/, p-H/sub 2/, HD, and D/sub 2/

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

Pollard, J.E.; Trevor, D.J.; Reutt, J.E.

1982-07-01

The 584 A photoelectron spectra of n-H/sub 2/, p-H/sub 2/, HD, and D/sub 2/ were recorded at a resolution of 11 meV FWHM using a supersonic molecular beam source. Spectra were taken at several stagnation temperatures and pressures in order to vary the rotational population distribution in the beam with a corresponding variation in the relative intensities of the rotational transitions. Many of the Q-branch components were resolved for the first time. ..delta..G(v+1/2) and B/sub v/ values were measured for all observed vibrational states of H/sup +//sub 2/, HD/sup +/, and D/sup +//sub 2/ and were used to determined themore » ionic vibrational and rotational constants: ..omega../sub e/, ..omega../sub e/x/sub e/, ..omega../sub e/y/sub e/, ..omega../sub e/z/sub e/, B/sub e/, and ..cap alpha../sub e/. The results represent a substantial improvement over previous experimental determinations and were found to be consistent with the available theoretical rotation-vibration energy levels. The measurement of the intensity distribution of photoelectrons as a function of vibrational states yielded photoionization cross sections which were in good agreement with the theoretical values calculated by O'Niel and Reinhardt.« less

Next generation techniques in the high resolution spectroscopy of biologically relevant molecules.

PubMed

Neill, Justin L; Douglass, Kevin O; Pate, Brooks H; Pratt, David W

2011-04-28

Recent advances in the technology of test and measurement equipment driven by the computer and telecommunications industries have made possible the development of a new broadband, Fourier-transform microwave spectrometer that operates on principles similar to FTNMR. This technique uses a high sample-rate arbitrary waveform generator to construct a phase-locked chirped microwave pulse that gives a linear frequency sweep over a wide frequency range in 1 μs. The chirped pulse efficiently polarizes the molecular sample at all frequencies lying within this band. The subsequent free induction decay of this polarization is measured with a high-speed digitizer and then fast Fourier-transformed to yield a broadband, frequency-resolved rotational spectrum, spanning up to 11.5 GHz and containing lines that are as narrow as 100 kHz. This new technique is called chirped-pulse Fourier transform microwave (CP-FTMW) spectroscopy. The technique offers the potential to determine the structural and dynamical properties of very large molecules solely from fully resolved pure rotational spectra. FTMW double resonance techniques employing a low-resolution UV laser facilitate an easy assignment of overlapping spectra produced by different conformers in the sample. Of particular interest are the energy landscapes of conformationally flexible molecules of biological importance, including studies of their interaction with solvent and/or other weakly bound molecules. An example is provided from the authors' work on p-methoxyphenethylamine, a neurotransmitter, and its complexes with water.

Exploring the Bermuda triangle of homonuclear diatomic spectroscopy: The electronic spectrum and structure of Ge2

NASA Astrophysics Data System (ADS)

Hostutler, David A.; Li, Haiyang; Clouthier, Dennis J.; Wannous, Ghassan

2002-03-01

The optical spectrum of jet-cooled Ge2 has been observed for the first time. Laser-induced fluorescence (LIF) and wavelength resolved emission spectra were recorded using the pulsed discharge technique with a tetramethylgermane precursor. Analysis of the spectra yielded the vibrational constants ωe″=287.9(47), ωexe″=0.81(55), ωeye″=0.0037(18), ωe'=189.0(15), ωexe'=6.41(30), and Te'=20 610.8(16) cm-1. High-resolution rotationally resolved spectra of several bands of 74Ge2 show two strong P and R branches and two very weak Q branches. We have assigned the band system as a Hund's case (c) Ω'=1-Ω″=1 transition from the ground 3Σg- state to a 3Σu- excited state. The bond lengths derived from the rotational constants are r0″=2.3680(1) Å and re'=2.5244(18) Å, an ˜0.16 Å increase on electronic excitation. Arguments are presented for assigning the transition to a σg2πu2→σg2πuπg electron promotion, although the observed increase in the bond length is much less than predicted by previous ab initio calculations. The absence of the 0u+-0g+ component in the spectra has been attributed to an excited state predissociation.

Continuous wave external-cavity quantum cascade laser-based high-resolution cavity ring-down spectrometer for ultrasensitive trace gas detection.

PubMed

De, Anulekha; Banik, Gourab Dutta; Maity, Abhijit; Pal, Mithun; Pradhan, Manik

2016-05-01

A high-resolution cavity ring-down spectroscopic (CRDS) system based on a continuous wave (cw) mode-hop-free (MHF) external-cavity quantum cascade laser (EC-QCL) operating at λ∼5.2  μm has been developed for ultrasensitive detection of nitric oxide (NO). We report the performance of the high-resolution EC-QCL based cw-CRDS instrument by measuring the rotationally resolved Λ-doublet e and f components of the P(7.5) line in the fundamental band of NO at 1850.169  cm^-1 and 1850.179  cm^-1. A noise-equivalent absorption coefficient of 1.01×10^-9  cm^-1  Hz^-1/2 was achieved based on an empty cavity ring-down time of τ₀=5.6  μs and standard deviation of 0.11% with averaging of six ring-down time determinations. The CRDS sensor demonstrates the advantages of measuring parts per billion NO concentrations in N₂, as well as in human breath samples with ultrahigh sensitivity and specificity. The CRDS system could also be generalized to measure simultaneously many other trace molecular species within the broad tuning range of cw EC-QCL, as well as for studying the rotationally resolved hyperfine structures.

Phi29 Connector-DNA Interactions Govern DNA Crunching and Rotation, Supporting the Check-Valve Model

PubMed Central

Kumar, Rajendra; Grubmüller, Helmut

2016-01-01

During replication of the ϕ29 bacteriophage inside a bacterial host cell, a DNA packaging motor transports the viral DNA into the procapsid against a pressure difference of up to 40 ± 20 atm. Several models have been proposed for the underlying molecular mechanism. Here we have used molecular dynamics simulations to examine the role of the connector part of the motor, and specifically the one-way revolution and the push-roll model. We have focused at the structure and intermolecular interactions between the DNA and the connector, for which a near-complete structure is available. The connector is found to induce considerable DNA deformations with respect to its canonical B-form. We further assessed by force-probe simulations to which extent the connector is able to prevent DNA leakage and found that the connector can act as a partial one-way valve by a check-valve mechanism via its mobile loops. Analysis of the geometry, flexibility, and energetics of channel lysine residues suggested that this arrangement of residues is incompatible with the observed DNA packaging step-size of ∼2.5 bp, such that the step-size is probably determined by the other components of the motor. Previously proposed DNA revolution and rolling motions inside the connector channel are both found implausible due to structural entanglement between the DNA and connector loops that have not been resolved in the crystal structure. Rather, in the simulations, the connector facilitates minor DNA rotation during the packaging process compatible with recent optical-tweezers experiments. Combined with the available experimental data, our simulation results suggest that the connector acts as a check-valve that prevents DNA leakage and induces DNA compression and rotation during DNA packaging. PMID:26789768

Re-Visiting the Electronic Energy Map of the Copper Dimer by Double-Resonant Four-Wave Mixing

NASA Astrophysics Data System (ADS)

Visser, Bradley; Bornhauser, Peter; Beck, Martin; Knopp, Gregor; Marquardt, Roberto; Gourlaouen, Christophe; van Bokhoven, Jeroen A.; Radi, Peter

2017-06-01

The copper dimer is one of the most studied transition metal (TM) diatomics due to its alkali-metal like electronic shell structure, strongly bound ground state and chemical reactivity. The high electronic promotion energy in the copper atom yields numerous low-lying electronic states compared to TM dimers with d)-hole electronic configurations. Thus, through extensive study the excited electronic structure of Cu_2 is relatively well known, however in practice few excited states have been investigated with rotational resolution or even assigned term symbols or dissociation limits. The spectroscopic methods that have been used to investigate the copper dimer until now have not possessed sufficient spectral selectivity, which has complicated the analysis of the often overlapping transitions. Resonant four-wave mixing is a non-linear absorption based spectroscopic method. In favorable cases, the two-color version (TC-RFWM) enables purely optical mass selective spectral measurements in a mixed molecular beam. Additionally, by labelling individual rotational levels in the common intermediate state the spectra are dramatically simplified. In this work, we report on the rotationally resolved characterization of low-lying electronic states of dicopper. Several term symbols have been assigned unambiguously. De-perturbation studies performed shed light on the complex electronic structure of the molecule. Furthermore, a new low-lying electronic state of Cu_2 is discovered and has important implications for the high-level theoretical structure calculations performed in parallel. In fact, the ab initio methods applied yield relative energies among the electronic levels that are almost quantitative and allow assignment of the newly observed state that is governed by spin-orbit interacting levels.

Spatially Resolved Stellar Kinematics from LEGA-C: Increased Rotational Support in z ∼ 0.8 Quiescent Galaxies

NASA Astrophysics Data System (ADS)

Bezanson, Rachel; van der Wel, Arjen; Pacifici, Camilla; Noeske, Kai; Barišić, Ivana; Bell, Eric F.; Brammer, Gabriel B.; Calhau, Joao; Chauke, Priscilla; van Dokkum, Pieter; Franx, Marijn; Gallazzi, Anna; van Houdt, Josha; Labbé, Ivo; Maseda, Michael V.; Muños-Mateos, Juan Carlos; Muzzin, Adam; van de Sande, Jesse; Sobral, David; Straatman, Caroline; Wu, Po-Feng

2018-05-01

We present stellar rotation curves and velocity dispersion profiles for 104 quiescent galaxies at z = 0.6–1 from the Large Early Galaxy Astrophysics Census (LEGA-C) spectroscopic survey. Rotation is typically probed across 10–20 kpc, or to an average of 2.7Re. Combined with central stellar velocity dispersions (σ0) this provides the first determination of the dynamical state of a sample selected by a lack of star formation activity at large lookback time. The most massive galaxies (M⋆ > 2 × 1011 M⊙) generally show no or little rotation measured at 5 kpc (| {V}5| /{σ }0< 0.2 in eight of ten cases), while ∼64% of less massive galaxies show significant rotation. This is reminiscent of local fast- and slow-rotating ellipticals and implies that low- and high-redshift quiescent galaxies have qualitatively similar dynamical structures. We compare | {V}5| /{σ }0 distributions at z ∼ 0.8 and the present day by re-binning and smoothing the kinematic maps of 91 low-redshift quiescent galaxies from the Calar Alto Legacy Integral Field Area (CALIFA) survey and find evidence for a decrease in rotational support since z ∼ 1. This result is especially strong when galaxies are compared at fixed velocity dispersion; if velocity dispersion does not evolve for individual galaxies then the rotational velocity at 5 kpc was an average of 94 ± 22% higher in z ∼ 0.8 quiescent galaxies than today. Considering that the number of quiescent galaxies grows with time and that new additions to the population descend from rotationally supported star-forming galaxies, our results imply that quiescent galaxies must lose angular momentum between z ∼ 1 and the present, presumably through dissipationless merging, and/or that the mechanism that transforms star-forming galaxies also reduces their rotational support.

Internal energy of HCl upon photolysis of 2-chloropropene at 193 nm investigated with time-resolved Fourier-transform spectroscopy and quasiclassical trajectories

NASA Astrophysics Data System (ADS)

Chang, Chih-Min; Huang, Yu-Hsuan; Liu, Suet-Yi; Lee, Yuan-Pern; Pombar-Pérez, Marta; Martínez-Núñez, Emilio; Vázquez, Saulo A.

2008-12-01

Following photodissociation of 2-chloropropene (H2CCClCH3) at 193 nm, vibration-rotationally resolved emission spectra of HCl (υ ≤6) in the spectral region of 1900-2900 cm-1 were recorded with a step-scan time-resolved Fourier-transform spectrometer. All vibrational levels show a small low-J component corresponding to ˜400 K and a major high-J component corresponding to 7100-18 700 K with average rotational energy of 39±311 kJ mol-1. The vibrational population of HCl is inverted at υ =2, and the average vibrational energy is 86±5 kJ mol-1. Two possible channels of molecular elimination producing HCl+propyne or HCl+allene cannot be distinguished positively based on the observed internal energy distribution of HCl. The observed rotational distributions fit qualitatively with the distributions of both channels obtained with quasiclassical trajectories (QCTs), but the QCT calculations predict negligible populations for states at small J. The observed vibrational distribution agrees satisfactorily with the total QCT distribution obtained as a weighted sum of contributions from both four-center elimination channels. Internal energy distributions of HCl from 2-chloropropene and vinyl chloride are compared.

Methylation effects in state resolved quenching of highly vibrationally excited azabenzenes (Evib˜38 500 cm-1). I. Collisions with water

NASA Astrophysics Data System (ADS)

Elioff, Michael S.; Fang, Maosen; Mullin, Amy S.

2001-10-01

To investigate the role of molecular structure in collisions that quench highly vibrationally excited molecules, we have performed state resolved transient infrared absorption studies of energy gain in a number of rotational levels of H2O(000) resulting from collisions of water with vibrationally excited 2-methylpyridine (2-picoline) and 2,6-dimethylpyridine (2,6-lutidine) in a low-pressure gas-phase environment at 298 K. Vibrationally excited methylpyridines were prepared with ˜38 500 cm-1 of internal energy using 266 nm ultraviolet excitation to an S1 electronic state followed by rapid radiationless decay to the S0 electronic state. Collisions that populate rotationally excited states of H2O(000) were investigated with infrared absorption by monitoring the appearance of individual rotational states of H2O(000) with energies between 1000 and 2000 cm-1. Rotational state distributions for recoiling water molecules were characterized by Boltzmann temperatures of Trot=590±90 K for quenching of hot picoline and Trot=490±80 K for lutidine quenching. Doppler-broadened transient absorption line profiles show that the scattered H2O(000) molecules have laboratory-frame translational energy distributions corresponding to Ttrans≈600 K for deactivation of picoline and Ttrans≈590 K for lutidine. Energy transfer rate constant measurements indicate that rotational excitation of H2O(000) with Evib>1000 cm-1 occurs for one in 31 picoline/water collisions and one in 17 lutidine/water collisions. Comparison with earlier quenching studies on pyrazine [M. Fraelich, M. S. Elioff, and A. S. Mullin, J. Phys. Chem. 102, 9761 (1998)] and pyridine [M. S. Elioff, M. Fraelich, R. L. Sansom, and A. S. Mullin, J. Chem. Phys. 111, 3517 (1999)] indicate that, for the same initial internal energy in the hot donor, the extent of rotational excitation in water is diminished as the number of vibrational modes in the donor increases. The energy transfer probability for this pathway exhibits opposite behavior, with the larger donor molecules being more likely to excite the high energy rotations in water. These results are interpreted using a statistical description of the high energy donors and highlight the role of low frequency vibrational modes in the vibrationally hot donor molecules. A Fermi's golden rule approach is successful at explaining differences in the observed scattering dynamics for the various donor molecules.

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.

High Fidelity Aeroelasticity Simulations of Aircraft and Turbomachinery with Fully-Coupled Fluid-Structure Interaction

NASA Astrophysics Data System (ADS)

Gan, Jiaye

The purpose of this research is to develop high fidelity numerical methods to investigate the complex aeroelasticity fluid-structural problems of aircraft and aircraft engine turbomachinery. Unsteady 3D compressible Navier-Stokes equations in generalized coordinates are solved to simulate the complex fluid dynamic problems in aeroelasticity. An efficient and low diffusion E-CUSP (LDE) scheme designed to minimize numerical dissipation is used as a Riemann solver to capture shock waves in transonic and supersonic flows. An improved hybrid turbulence modeling, delayed detached eddy simulation (DDES), is implemented to simulate shock induced separation and rotating stall flows. High order accuracy (3rd and 5th order) weighted essentially non-oscillatory (WENO) schemes for inviscid flux and a conservative 2nd and 4th order viscous flux differencing are employed. To resolve the nonlinear interaction between flow and vibrating blade structures, a fully coupled fluid-structure interaction (FSI) procedure that solves the structural modal equations and time accurate Navier-Stokes equations simultaneously is adopted. A rotor/stator sliding interpolation technique is developed to accurately capture the blade rows interaction at the interface with general grid distribution. Phase lag boundary conditions (BC) based on the time shift (direct store) method and the Fourier series phase lag BC are applied to consider the effect of phase difference for a sector of annulus simulation. Extensive validations are conducted to demonstrate high accuracy and robustness of the high fidelity FSI methodology. The accuracy and robustness of RANS, URANS and DDES turbulence models with high order schemes for predicting the lift and drag of the DLR-F6 configuration are verified. The DDES predicts the drag very well whereas the URANS model significantly over predicts the drag. DDES of a finned projectile base flows is conducted to further validate the high fidelity methods with vortical flow. The DDES is demonstrated to be superior to the URANS for the projectile flow prediction. DDES of a 3D transonic wing flutter is validated with AGARD Wing 445.6 aeroelasticity experiment at free stream Mach number varied from subsonic to supersonic. The predicted flutter boundary at different free stream Mach number including the sonic dip achieves very good agreement with the experiment. In particular, the predicted flutter boundaries at the supersonic conditions match the experiment accurately. The mechanism of sonic dip is investigated. Simulation of supersonic fluid-structural interaction of a flat panel is performed by using DDES with high order shock capturing scheme. The panel vibration induced by the shock boundary layer interaction is well resolved by the high fidelity method. The dominant panel response agrees well with the experiment in terms of the mean panel displacement and frequency. The DDES methodology is used to investigate the stall inception of NASA Stage 35 compressor. The process of rotating stall is compared between the results using both URANS and DDES with full annulus. The stall process begins with spike inception and develops to full stall. The numbers of stall cell, and the size and propagating speed of the stall cells are well captured by both URANS and DDES. Two stall cells with 42% rotor rotating speed are resolved by DDES and one stall cell with 90% rotor rotating speed by URANS. It is not conclusive which method is more accurate since there is no experimental data, but the DDES does show more realistic vortical turbulence with more small scale structures. The non-synchronous vibration (NSV) of a high speed 1-1/2 stage axial compressor is investigated by using rigid blade and vibrating blade with fluid-structural interaction. An interpolation sliding boundary condition is used for the rotor-stator interaction. The URANS simulation with rigid blades shows that the leading edge(LE) circumferentially traveling vortices, roughly above 80% rotor span, travel backwards relative to the rotor rotation and cause an excitation with the frequency agreeing with the measured NSV frequency. The predicted excitation frequency of the traveling vortices in the rigid blade simulation is a non-engine order frequency of 2603 Hz, which agrees very well with the rig measured frequency of 2600 Hz. For the FSI simulation, the results show that there exist two dominant frequencies in the spectrum of the blade vibration. The lower dominant frequency is close to the first bending mode. The higher dominant frequency close to the first torsional mode agrees very well with the measured NSV frequency. To investigate whether the NSV is caused by flow excitation or by flow-structure locked-in phenomenon, the rotating speed is varied within a small RPM range, in which the rig test detected the NSV. The unsteady flows with rigid blades are simulated first at several RPMs. A dominant excitation NSV frequency caused by the circumferentially traveling tip vortices are captured. The simulation then switches to fluid structure interaction that allows the blades to vibrate freely. (Abstract shortened by ProQuest.).

Rovibrational photoionization dynamics of methyl and its isotopomers studied by high-resolution photoionization and photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Schulenburg, A. M.; Alcaraz, Ch.; Grassi, G.; Merkt, F.

2006-09-01

High-resolution photoionization and pulsed-field-ionization zero-kinetic-energy photoelectron spectra of CH3, CH2D, CHD2, and CD3 have been recorded in the vicinity of the first adiabatic ionization threshold following single-photon excitation from the ground neutral state using a narrow-bandwidth vacuum-ultraviolet laser. The radicals were produced from the precursor molecules methyl-bromide, methyl-iodide, dimethyl-thioether, acetone, and nitromethane by 193nm excimer photolysis in a quartz capillary and were subsequently cooled to a rotational temperature Trot≈30K in a supersonic expansion. Nitromethane was identified as a particularly suitable photolytic precursor of methyl for studies by photoionization and threshold photoelectron spectroscopy. Thanks to the cold rotational temperature reached in the supersonic expansion, the rotational structure of the threshold ionization spectra could be resolved, and the photoionization dynamics investigated. Rydberg series converging on excited rotational levels of CH3+ could be observed in the range of principal quantum number n =30-50, and both rotational autoionization and predissociation were identified as decay processes in the threshold region. The observed photoionization transitions can be understood in the realm of an orbital model for direct ionization but the intensity distributions can only be fully accounted for if the rotational channel interactions mediated by the quadrupole of the cation are considered. Improved values of the adiabatic ionization thresholds were derived for all isotopomers [CH3: 79356.2(15)cm-1, CH2D: 79338.8(15)cm-1, CHD2: 79319.1(15)cm-1, and CD3: 79296.4(15)cm-1].

New paleomagnetic data from the Wadi Abyad crustal section and their implications for the rotation history of the Oman ophiolite

NASA Astrophysics Data System (ADS)

Meyer, Matthew; Morris, Antony; Anderson, Mark; MacLeod, Chris

2015-04-01

The Oman ophiolite is an important natural laboratory for understanding the construction of oceanic crust at fast spreading axes and its subsequent tectonic evolution. Previous paleomagnetic research in lavas of the northern ophiolitic blocks (Perrin et al., 2000) has demonstrated substantial clockwise intraoceanic tectonic rotations. Paleomagnetic data from lower crustal sequences in the southern blocks, however, have been more equivocal due to complications arising from remagnetization, and have been used to infer that clockwise rotations seen in the north are internal to the ophiolite rather than regionally significant (Weiler, 2000). Here we demonstrate the importance and advantages of sampling crustal transects in the ophiolite in order to understand the nature and variability in magnetization directions. By systematically sampling the lower crustal sequence exposed in Wadi Abyad (Rustaq block) we resolve for the first time in a single section a pattern of remagnetized lowermost gabbros and retention of earlier magnetizations by uppermost gabbros and the overlying dyke-rooting zone. Results are supported by a positive fold test that shows that remagnetization of lower gabbros occurred prior to the Campanian structural disruption of the Moho. NW-directed remagnetized remanences in the lower units are consistent with those used by Weiler (2000) to infer lack of significant rotation of the southern blocks and to argue, therefore, that rotation of the northern blocks was internal to the ophiolite. In contrast, E/ENE-directed remanences in the uppermost levels of Wadi Abyad imply large, clockwise rotation of the Rustaq block, of a sense and magnitude consistent with intraoceanic rotations inferred from extrusive sections in the northern blocks. We conclude that without the control provided by systematic crustal sampling, the potential for different remanence directions being acquired at different times may lead to erroneous tectonic interpretation.

Imaging the disk around IRAS 20126+4104 at subarcsecond resolution

NASA Astrophysics Data System (ADS)

Cesaroni, R.; Galli, D.; Neri, R.; Walmsley, C. M.

2014-06-01

Context. The existence of disks around high-mass stars has yet to be established on a solid ground, as only few reliable candidates are known to date. The disk rotating about the ~104 L⊙ protostar IRAS 20126+4104 is probably the most convincing of these. Aims: We would like to resolve the disk structure in IRAS 20126+4104 and, if possible, investigate the relationship between the disk and the associated jet emitted along the rotation axis. Methods: We performed observations at 1.4 mm with the IRAM Plateau de Bure interferometer attaining an angular resolution of ~0.̋4 (~660 AU). We imaged the methyl cyanide J = 12 → 11 ground state and vibrationally excited transitions as well as the CH313CN isotopologue, which had proved to be disk tracers. Results: Our findings confirm the existence of a disk rotating about a ~7-10 M⊙ star in IRAS 20126+4104, with rotation velocity increasing at small radii. The dramatic improvement in sensitivity and spectral and angular resolution with respect to previous observations allows us to establish that higher excitation transitions are emitted closer to the protostar than the ground state lines, which demonstrates that the gas temperature is increasing towards the centre. We also find that the material is asymmetrically distributed in the disk and speculate on the possible origin of such a distribution. Finally, we demonstrate that the jet emitted along the disk axis is co-rotating with the disk. Conclusions: We present iron-clad evidence of the existence of a disk undergoing rotation around a B-type protostar, with rotation velocity increasing towards the centre. We also demonstrate that the disk is not axially symmetric. These results prove that B-type stars may form through disk-mediated accretion as their low-mass siblings do, but also show that the disk structure may be significantly perturbed by tidal interactions with (unseen) companions, even in a relatively poor cluster such as that associated with IRAS 20126+4104. Based on observations carried out with the Plateau de Bure interferometer.

Discovery of Rotational Modulations in the Planetary-mass Companion 2M1207b: Intermediate Rotation Period and Heterogeneous Clouds in a Low Gravity Atmosphere

NASA Astrophysics Data System (ADS)

Zhou, Yifan; Apai, Dániel; Schneider, Glenn H.; Marley, Mark S.; Showman, Adam P.

2016-02-01

Rotational modulations of brown dwarfs have recently provided powerful constraints on the properties of ultra-cool atmospheres, including longitudinal and vertical cloud structures and cloud evolution. Furthermore, periodic light curves directly probe the rotational periods of ultra-cool objects. We present here, for the first time, time-resolved high-precision photometric measurements of a planetary-mass companion, 2M1207b. We observed the binary system with Hubble Space Telescope/Wide Field Camera 3 in two bands and with two spacecraft roll angles. Using point-spread function-based photometry, we reach a nearly photon-noise limited accuracy for both the primary and the secondary. While the primary is consistent with a flat light curve, the secondary shows modulations that are clearly detected in the combined light curve as well as in different subsets of the data. The amplitudes are 1.36% in the F125W and 0.78% in the F160W filters, respectively. By fitting sine waves to the light curves, we find a consistent period of {10.7}-0.6+1.2 hr and similar phases in both bands. The J- and H-band amplitude ratio of 2M1207b is very similar to a field brown dwarf that has identical spectral type but different J-H color. Importantly, our study also measures, for the first time, the rotation period for a directly imaged extra-solar planetary-mass companion.

Overcoming Robot-Arm Joint Singularities

NASA Technical Reports Server (NTRS)

Barker, L. K.; Houck, J. A.

1986-01-01

Kinematic equations allow arm to pass smoothly through singular region. Report discusses mathematical singularities in equations of robotarm control. Operator commands robot arm to move in direction relative to its own axis system by specifying velocity in that direction. Velocity command then resolved into individual-joint rotational velocities in robot arm to effect motion. However, usual resolved-rate equations become singular when robot arm is straightened.

Time-resolved polarization imaging by pump-probe (stimulated emission) fluorescence microscopy.

PubMed Central

Buehler, C; Dong, C Y; So, P T; French, T; Gratton, E

2000-01-01

We report the application of pump-probe fluorescence microscopy in time-resolved polarization imaging. We derived the equations governing the pump-probe stimulated emission process and characterized the pump and probe laser power levels for signal saturation. Our emphasis is to use this novel methodology to image polarization properties of fluorophores across entire cells. As a feasibility study, we imaged a 15-microm orange latex sphere and found that there is depolarization that is possibly due to energy transfer among fluorescent molecules inside the sphere. We also imaged a mouse fibroblast labeled with CellTracker Orange CMTMR (5-(and-6)-(((4-chloromethyl)benzoyl)amino)tetramethyl-rhodamine). We observed that Orange CMTMR complexed with gluthathione rotates fast, indicating the relatively low fluid-phase viscosity of the cytoplasmic microenvironment as seen by Orange CMTMR. The measured rotational correlation time ranged from approximately 30 to approximately 150 ps. This work demonstrates the effectiveness of stimulated emission measurements in acquiring high-resolution, time-resolved polarization information across the entire cell. PMID:10866979

Time-Resolved Kinetic Chirped-Pulse Rotational Spectroscopy in a Room-Temperature Flow Reactor

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

Zaleski, Daniel P.; Harding, Lawrence B.; Klippenstein, Stephen J.

Chirped-pulse Fourier transform millimeter-wave spectroscopy is a potentially powerful tool for studying chemical reaction dynamics and kinetics. Branching ratios of multiple reaction products and intermediates can be measured with unprecedented chemical specificity; molecular isomers, conformers, and vibrational states have distinct rotational spectra. Here we demonstrate chirped-pulse spectroscopy of vinyl cyanide photoproducts in a flow tube reactor at ambient temperature of 295 K and pressures of 1-10 mu bar. This in situ and time-resolved experiment illustrates the utility of this novel approach to investigating chemical reaction dynamics and kinetics. Following 193 nm photodissociation of CH2CHCN, we observe rotational relaxation of energizedmore » HCN, HNC, and HCCCN photoproducts with 10 mu s time resolution and sample the vibrational population distribution of HCCCN. The experimental branching ratio HCN/HCCCN is compared with a model based on RRKM theory using high-level ab initio calculations, which were in turn validated by comparisons to Active Thermochemical Tables enthalpies.« less

Time-Resolved Kinetic Chirped-Pulse Rotational Spectroscopy in a Room-Temperature Flow Reactor

DOE PAGES

Zaleski, Daniel P.; Harding, Lawrence B.; Klippenstein, Stephen J.; ...

2017-12-01

Chirped-pulse Fourier transform millimeter-wave spectroscopy is a potentially powerful tool for studying chemical reaction dynamics and kinetics. Branching ratios of multiple reaction products and intermediates can be measured with unprecedented chemical specificity; molecular isomers, conformers, and vibrational states have distinct rotational spectra. Here we demonstrate chirped-pulse spectroscopy of vinyl cyanide photoproducts in a flow tube reactor at ambient temperature of 295 K and pressures of 1-10 mu bar. This in situ and time-resolved experiment illustrates the utility of this novel approach to investigating chemical reaction dynamics and kinetics. Following 193 nm photodissociation of CH2CHCN, we observe rotational relaxation of energizedmore » HCN, HNC, and HCCCN photoproducts with 10 mu s time resolution and sample the vibrational population distribution of HCCCN. The experimental branching ratio HCN/HCCCN is compared with a model based on RRKM theory using high-level ab initio calculations, which were in turn validated by comparisons to Active Thermochemical Tables enthalpies.« less

Rotational Analysis of FTIR Spectra from Cigarette Smoke: An Application of Chem Spec II Software in the Undergraduate Laboratory

ERIC Educational Resources Information Center

Ford, Alan R.; Burns, William A.; Reeve, Scott W.

2004-01-01

A version of the classic gas phase infrared experiment was developed for students at Arkansas State University based on the shortcomings of the rotationally resolved infrared experiment. Chem Spec II is a noncommercial Windows-based software package developed to aid in the potentially complicated problem of assigning quantum numbers to observed…

High-resolution studies of tropolone in the S0 and S1 electronic states: isotope driven dynamics in the zero-point energy levels.

PubMed

Keske, John C; Lin, Wei; Pringle, Wallace C; Novick, Stewart E; Blake, Thomas A; Plusquellic, David F

2006-02-21

Rotationally resolved microwave (MW) and ultraviolet (UV) spectra of jet-cooled tropolone have been obtained in S(0) and S(1) electronic states using Fourier-transform microwave and UV-laser/molecular-beam spectrometers. In the ground electronic state, the MW spectra of all heavy-atom isotopomers including one (18)O and four (13)C isotopomers were observed in natural abundance. The OD isotopomer was obtained from isotopically enriched samples. The two lowest tunneling states of each isotopomer except (18)O have been assigned. The observed inversion splitting for the OD isotopomer is 1523.227(5) MHz. For the asymmetric (13)C structures, the magnitudes of tunneling-rotation interactions are found to diminish with decreasing distance between the heavy atom and the tunneling proton. In the limit of closest approach, the 0(+) state of (18)O was well fitted to an asymmetric rotor Hamiltonian, reflecting significant changes in the tautomerization dynamics. Comparisons of the substituted atom coordinates with theoretical predictions at the MP2/aug-cc-pVTZ level of theory suggest the localized 0(+) and 0(-) wave functions of the heavier isotopes favor the C-OH and C=O forms of tropolone, respectively. The only exception occurs for the (13)C-OH and (13)C[Double Bond]O structures which correlate to the 0(-) and 0(+) states, respectively. These preferences reflect kinetic isotope effects as quantitatively verified by the calculated zero-point energy differences between members of the asymmetric atom pairs. From rotationally resolved data of the 0(+) <--0(+) and 0(-) <--0(-) bands in S(1), line-shape fits have yielded Lorentzian linewidths that differ by 12.2(16) MHz over the 19.88(4) cm(-1) interval in S(1). The fluorescence decay rates together with previously reported quantum yield data give nonradiative decay rates of 7.7(5) x 10(8) and 8.5(5) x 10(8) s(-1) for the 0(+) and 0(-) levels of the S(1) state of tropolone.

Rotational multispectral fluorescence lifetime imaging and intravascular ultrasound: bimodal system for intravascular applications

PubMed Central

Ma, Dinglong; Bec, Julien; Yankelevich, Diego R.; Gorpas, Dimitris; Fatakdawala, Hussain; Marcu, Laura

2014-01-01

Abstract. We report the development and validation of a hybrid intravascular diagnostic system combining multispectral fluorescence lifetime imaging (FLIm) and intravascular ultrasound (IVUS) for cardiovascular imaging applications. A prototype FLIm system based on fluorescence pulse sampling technique providing information on artery biochemical composition was integrated with a commercial IVUS system providing information on artery morphology. A customized 3-Fr bimodal catheter combining a rotational side-view fiberoptic and a 40-MHz IVUS transducer was constructed for sequential helical scanning (rotation and pullback) of tubular structures. Validation of this bimodal approach was conducted in pig heart coronary arteries. Spatial resolution, fluorescence detection efficiency, pulse broadening effect, and lifetime measurement variability of the FLIm system were systematically evaluated. Current results show that this system is capable of temporarily resolving the fluorescence emission simultaneously in multiple spectral channels in a single pullback sequence. Accurate measurements of fluorescence decay characteristics from arterial segments can be obtained rapidly (e.g., 20 mm in 5 s), and accurate co-registration of fluorescence and ultrasound features can be achieved. The current finding demonstrates the compatibility of FLIm instrumentation with in vivo clinical investigations and its potential to complement conventional IVUS during catheterization procedures. PMID:24898604

Experimental search for Exact Coherent Structures in turbulent small aspect ratio Taylor-Couette flow

NASA Astrophysics Data System (ADS)

Crowley, Christopher J.; Krygier, Michael; Grigoriev, Roman O.; Schatz, Michael F.

2017-11-01

Recent theoretical and experimental work suggests that the dynamics of turbulent flows are guided by unstable nonchaotic solutions to the Navier-Stokes equations. These solutions, known as exact coherent structures (ECS), play a key role in a fundamentally deterministic description of turbulence. In order to quantitatively demonstrate that actual turbulence in 3D flows is guided by ECS, high resolution, 3D-3C experimental measurements of the velocity need to be compared to solutions from direct numerical simulation of the Navier-Stokes equations. In this talk, we will present experimental measurements of fully time resolved, velocity measurements in a volume of turbulence in a counter-rotating, small aspect ratio Taylor-Couette flow. This work is supported by the Army Research Office (Contract # W911NF-16-1-0281).

Hyperfine rather than spin splittings dominate the fine structure of the B (4)Σ(-)-X (4)Σ(-) bands of AlC.

PubMed

Clouthier, Dennis J; Kalume, Aimable

2016-01-21

Laser-induced fluorescence and wavelength resolved emission spectra of the B (4)Σ(-)-X (4)Σ(-) band system of the gas phase cold aluminum carbide free radical have been obtained using the pulsed discharge jet technique. The radical was produced by electron bombardment of a precursor mixture of trimethylaluminum in high pressure argon. High resolution spectra show that each rotational line of the 0-0 and 1-1 bands of AlC is split into at least three components, with very similar splittings and intensities in both the P- and R-branches. The observed structure was reproduced by assuming bβS magnetic hyperfine coupling in the excited state, due to a substantial Fermi contact interaction of the unpaired electron in the aluminum 3s orbital. Rotational analysis has yielded ground and excited state equilibrium bond lengths in good agreement with the literature and our own ab initio values. Small discrepancies in the calculated intensities of the hyperfine lines suggest that the upper state spin-spin constant λ' is of the order of ≈ 0.025-0.030 cm(-1).

Growth, Faraday and inverse Faraday characteristics of Tb₂Ti₂O₇ crystal.

PubMed

Guo, Feiyun; Sun, Yilin; Yang, Xiongsheng; Chen, Xin; Zhao, Bin; Zhuang, Naifeng; Chen, Jianzhong

2016-03-21

Tb₂Ti₂O₇ (TTO) single crystal with dimensions of 20 × 20 × 16 mm³ was grown by the Czochralski method. Rietveld structure refinement of X-ray diffraction (XRD) data confirms that the compound crystallizes in the cubic system with pyrochlore structure. Transmission spectra, Magnetic circular dichroism (MCD) spectra, Faraday and inverse Faraday characteristics of TTO crystal have been measured and analyzed in detail. The results demonstrate that TTO crystal has high transmittance at 700-1400 nm waveband and a larger Verdat constant than that of TGG reported. Magnetic circular dichroism (MCD) spectra showed that the 4f→4f transitions of Tb³⁺ have significant contributions to the magneto-optical activity (MOA). In the time-resolved pump-probe spectroscopy, the rotation signals of the probe beam based on the inverse Faraday effect in magneto-optical crystal were observed at zero time delay, the full width at half maximum of the rotation and ellipticity signals can be as fast as ~500 fs, which indicates that TTO crystal can be a promising material for ultrafast all-optical magnetic switching.

Flattening and surface-brightness of the fast-rotating star δ Persei with the visible VEGA/CHARA interferometer

NASA Astrophysics Data System (ADS)

Challouf, M.; Nardetto, N.; Domiciano de Souza, A.; Mourard, D.; Tallon-Bosc, I.; Aroui, H.; Farrington, C.; Ligi, R.; Meilland, A.; Mouelhi, M.

2017-08-01

Context. Rapid rotation is a common feature for massive stars, with important consequences on their physical structure, flux distribution and evolution. Fast-rotating stars are flattened and show gravity darkening (non-uniform surface intensity distribution). Another important and less studied impact of fast-rotation in early-type stars is its influence on the surface brightness colour relation (hereafter SBCR), which could be used to derive the distance of eclipsing binaries. Aims: The purpose of this paper is to determine the flattening of the fast-rotating B-type star δ Per using visible long-baseline interferometry. A second goal is to evaluate the impact of rotation and gravity darkening on the V - K colour and surface brightness of the star. Methods: The B-type star δ Per was observed with the VEGA/CHARA interferometer, which can measure spatial resolutions down to 0.3 mas and spectral resolving power of 5000 in the visible. We first used a toy model to derive the position angle of the rotation axis of the star in the plane of the sky. Then we used a code of stellar rotation, CHARRON, in order to derive the physical parameters of the star. Finally, by considering two cases, a static reference star and our best model of δ Per, we can quantify the impact of fast rotation on the surface brightness colour relation (SBCR). Results: We find a position angle of 23 ± 6 degrees. The polar axis angular diameter of δ Per is θp = 0.544 ± 0.007 mas, and the derived flatness is r = 1.121 ± 0.013. We derive an inclination angle for the star of I = 85+ 5-20 degrees and a projected rotation velocity Vsini = 175+ 8-11 km s-1 (or 57% of the critical velocity). We find also that the rotation and inclination angle of δ Per keeps the V - K colour unchanged while it decreasing its surface-brightness by about 0.05 mag. Conclusions: Correcting the impact of rotation on the SBCR of early-type stars appears feasible using visible interferometry and dedicated models.

Structural and Sequence Stratigraphic Analysis of the Onshore Nile Delta, Egypt.

NASA Astrophysics Data System (ADS)

Barakat, Moataz; Dominik, Wilhelm

2010-05-01

The Nile Delta is considered the earliest known delta in the world. It was already described by Herodotus in the 5th Century AC. Nowadays; the Nile Delta is an emerging giant gas province in the Middle East with proven gas reserves which have more than doubled in size in the last years. The Nile Delta basin contains a thick sedimentary sequence inferred to extend from Jurassic to recent time. Structural styles and depositional environments varied during this period. Facies architecture and sequence stratigraphy of the Nile Delta are resolved using seismic stratigraphy based on (2D seismic lines) including synthetic seismograms and tying in well log data. Synthetic seismograms were constructed using sonic and density logs. The combination of structural interpretation and sequence stratigraphy of the development of the basin was resolved. Seven chrono-stratigraphic boundaries have been identified and correlated on seismic and well log data. Several unconformity boundaries also identified on seismic lines range from angular to disconformity type. Furthermore, time structure maps, velocity maps, depth structure maps as well as Isopach maps were constructed using seismic lines and log data. Several structural features were identified: normal faults, growth faults, listric faults, secondary antithetic faults and large rotated fault blocks of manly Miocene age. In some cases minor rollover structures could be identified. Sedimentary features such as paleo-channels were distinctively recognized. Typical Sequence stratigraphic features such as incised valley, clinoforms, topsets, offlaps and onlaps are identified and traced on the seismic lines allowing a good insight into sequence stratigraphic history of the Nile Delta most especially in the Miocene to Pliocene clastic sedimentary succession.

Fabry-Perot enhanced Faraday rotation in graphene.

PubMed

Ubrig, Nicolas; Crassee, Iris; Levallois, Julien; Nedoliuk, Ievgeniia O; Fromm, Felix; Kaiser, Michl; Seyller, Thomas; Kuzmenko, Alexey B

2013-10-21

We demonstrate that giant Faraday rotation in graphene in the terahertz range due to the cyclotron resonance is further increased by constructive Fabry-Perot interference in the supporting substrate. Simultaneously, an enhanced total transmission is achieved, making this effect doubly advantageous for graphene-based magneto-optical applications. As an example, we present far-infrared spectra of epitaxial multilayer graphene grown on the C-face of 6H-SiC, where the interference fringes are spectrally resolved and a Faraday rotation up to 0.15 radians (9°) is attained. Further, we discuss and compare other ways to increase the Faraday rotation using the principle of an optical cavity.

Large scale motions of multiple limit-cycle high Reynolds number annular and toroidal rotor/stator cavities

NASA Astrophysics Data System (ADS)

Bridel-Bertomeu, Thibault; Gicquel, L. Y. M.; Staffelbach, G.

2017-06-01

Rotating cavity flows are essential components of industrial applications but their dynamics are still not fully understood when it comes to the relation between the fluid organization and monitored pressure fluctuations. From computer hard-drives to turbo-pumps of space launchers, designed devices often produce flow oscillations that can either destroy the component prematurely or produce too much noise. In such a context, large scale dynamics of high Reynolds number rotor/stator cavities need better understanding especially at the flow limit-cycle or associated statistically stationary state. In particular, the influence of curvature as well as cavity aspect ratio on the large scale organization and flow stability at a fixed rotating disc Reynolds number is fundamental. To probe such flows, wall-resolved large eddy simulation is applied to two different rotor/stator cylindrical cavities and one annular cavity. Validation of the predictions proves the method to be suited and to capture the disc boundary layer patterns reported in the literature. It is then shown that in complement to these disc boundary layer analyses, at the limit-cycle the rotating flows exhibit characteristic patterns at mid-height in the homogeneous core pointing the importance of large scale features. Indeed, dynamic modal decomposition reveals that the entire flow dynamics are driven by only a handful of atomic modes whose combination links the oscillatory patterns observed in the boundary layers as well as in the core of the cavity. These fluctuations form macro-structures, born in the unstable stator boundary layer and extending through the homogeneous inviscid core to the rotating disc boundary layer, causing its instability under some conditions. More importantly, the macro-structures significantly differ depending on the configuration pointing the need for deeper understanding of the influence of geometrical parameters as well as operating conditions.

VizieR Online Data Catalog: Rotational frequencies of TiO isotopologues (Lincowski+, 2016)

NASA Astrophysics Data System (ADS)

Lincowski, A. P.; Halfen, D. T.; Ziurys, L. M.

2017-03-01

Pure rotational spectra of the rare isotopologues of titanium oxide, 46TiO, 47TiO, 49TiO, and 50TiO, have been recorded using a combination of Fourier transform millimeter-wave (FTmmW) and millimeter/submillimeter direct absorption techniques in the frequency range 62-538GHz. This study is the first complete spectroscopic characterization of these species in their X3Δr ground electronic states. The isotopologues were created by the reaction of N2O or O2 and titanium vapor, produced either by laser ablation or in a Broida-type oven, and observed in the natural Ti isotopic abundances. Between 10 and 11 rotational transitions J+1<->J were measured for each species, typically in all 3 spin-orbit ladders Ω=1, 2, and 3. For 47TiO and 49TiO, hyperfine structure was resolved, originating from the titanium-47 and titanium-49 nuclear spins of I=5/2 and 7/2, respectively. For the Ω=1 and 3 components, the hyperfine structure was found to follow a classic Lande pattern, while that for Ω=2 appeared to be perturbed, likely a result of mixing with the nearby isoconfigurational a1Δ state. The spectra were analyzed with a case (a) Hamiltonian, and rotational, spin-orbit, and spin-spin parameters were determined for each species, as well as magnetic hyperfine and electric quadrupole constants for the two molecules with nuclear spins. The most abundant species, 48TiO, has been detected in circumstellar envelopes. These measurements will enable other titanium isotopologues to be studied at millimeter wavelengths, providing Ti isotope ratios that can test models of nucleosynthesis. (1 data file).

Intramolecular structure and dynamics of mequinol and guaiacol in the gas phase: Rotationally resolved electronic spectra of their S1 states

NASA Astrophysics Data System (ADS)

Ruiz-Santoyo, José Arturo; Rodríguez-Matus, Marcela; Cabellos, José Luis; Yi, John T.; Pratt, David W.; Schmitt, Michael; Merino, Gabriel; Álvarez-Valtierra, Leonardo

2015-09-01

The molecular structures of guaiacol (2-methoxyphenol) and mequinol (4-methoxyphenol) have been studied using high resolution electronic spectroscopy in a molecular beam and contrasted with ab initio computations. Mequinol exhibits two low frequency bands that have been assigned to electronic origins of two possible conformers of the molecule, trans and cis. Guaiacol also shows low frequency bands, but in this case, the bands have been assigned to the electronic origin and vibrational modes of a single conformer of the isolated molecule. A detailed study of these bands indicates that guaiacol has a vibrationally averaged planar structure in the ground state, but it is distorted along both in-plane and out-of-plane coordinates in the first electronically excited state. An intramolecular hydrogen bond involving the adjacent -OH and -OCH3 groups plays a major role in these dynamics.

Intramolecular structure and dynamics of mequinol and guaiacol in the gas phase: Rotationally resolved electronic spectra of their S1 states.

PubMed

Ruiz-Santoyo, José Arturo; Rodríguez-Matus, Marcela; Cabellos, José Luis; Yi, John T; Pratt, David W; Schmitt, Michael; Merino, Gabriel; Álvarez-Valtierra, Leonardo

2015-09-07

The molecular structures of guaiacol (2-methoxyphenol) and mequinol (4-methoxyphenol) have been studied using high resolution electronic spectroscopy in a molecular beam and contrasted with ab initio computations. Mequinol exhibits two low frequency bands that have been assigned to electronic origins of two possible conformers of the molecule, trans and cis. Guaiacol also shows low frequency bands, but in this case, the bands have been assigned to the electronic origin and vibrational modes of a single conformer of the isolated molecule. A detailed study of these bands indicates that guaiacol has a vibrationally averaged planar structure in the ground state, but it is distorted along both in-plane and out-of-plane coordinates in the first electronically excited state. An intramolecular hydrogen bond involving the adjacent   -OH and   -OCH3 groups plays a major role in these dynamics.

N-Methyl Inversion and Accurate Equilibrium Structures in Alkaloids: Pseudopelletierine.

PubMed

Vallejo-López, Montserrat; Écija, Patricia; Vogt, Natalja; Demaison, Jean; Lesarri, Alberto; Basterretxea, Francisco J; Cocinero, Emilio J

2017-11-21

A rotational spectroscopy investigation has resolved the conformational equilibrium and structural properties of the alkaloid pseudopelletierine. Two different conformers, which originate from inversion of the N-methyl group from an axial to an equatorial position, have been unambiguously identified in the gas phase, and nine independent isotopologues have been recorded by Fourier-transform microwave spectroscopy in a jet expansion. Both conformers share a chair-chair configuration of the two bridged six-membered rings. The conformational equilibrium is displaced towards the axial form, with a relative population in the supersonic jet of N axial /N equatorial ≈2/1. An accurate equilibrium structure has been determined by using the semiexperimental mixed-estimation method and alternatively computed by quantum-chemical methods up to the coupled-cluster level of theory. A comparison with the N-methyl inversion equilibria in related tropanes is also presented. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dynamic Time-Resolved Chirped-Pulse Rotational Spectroscopy of Vinyl Cyanide Photoproducts in a Room Temperature Flow Reactor

NASA Astrophysics Data System (ADS)

Zaleski, Daniel P.; Prozument, Kirill

2017-06-01

Chirped-pulsed (CP) Fourier transform rotational spectroscopy invented by Brooks Pate and coworkers a decade ago is an attractive tool for gas phase chemical dynamics and kinetics studies. A good reactor for such a purpose would have well-defined (and variable) temperature and pressure conditions to be amenable to accurate kinetic modeling. Furthermore, in low pressure samples with large enough number of molecular emitters, reaction dynamics can be observable directly, rather than mediated by supersonic expansion. In the present work, we are evaluating feasibility of in situ time-resolved CP spectroscopy in a room temperature flow tube reactor. Vinyl cyanide (CH_2CHCN), neat or mixed with inert gasses, flows through the reactor at pressures 1-50 μbar (0.76-38 mTorr) where it is photodissociated by a 193 nm laser. Millimeter-wave beam of the CP spectrometer co-propagates with the laser beam along the reactor tube and interacts with nascent photoproducts. Rotational transitions of HCN, HNC, and HCCCN are detected, with ≥10 μs time-steps for 500 ms following photolysis of CH_2CHCN. The post-photolysis evolution of the photoproducts' rotational line intensities is investigated for the effects of rotational and vibrational thermalization of energized photoproducts. Possible contributions from bimolecular and wall-mediated chemistry are evaluated as well.

Dynamics of molecules in extreme rotational states

PubMed Central

Yuan, Liwei; Teitelbaum, Samuel W.; Robinson, Allison; Mullin, Amy S.

2011-01-01

We have constructed an optical centrifuge with a pulse energy that is more than 2 orders of magnitude larger than previously reported instruments. This high pulse energy enables us to create large enough number densities of molecules in extreme rotational states to perform high-resolution state-resolved transient IR absorption measurements. Here we report the first studies of energy transfer dynamics involving molecules in extreme rotational states. In these studies, the optical centrifuge drives CO2 molecules into states with J ∼ 220 and we use transient IR probing to monitor the subsequent rotational, translational, and vibrational energy flow dynamics. The results reported here provide the first molecular insights into the relaxation of molecules with rotational energy that is comparable to that of a chemical bond.

Sizing protein-templated gold nanoclusters by time resolved fluorescence anisotropy decay measurements

NASA Astrophysics Data System (ADS)

Soleilhac, Antonin; Bertorelle, Franck; Antoine, Rodolphe

2018-03-01

Protein-templated gold nanoclusters (AuNCs) are very attractive due to their unique fluorescence properties. A major problem however may arise due to protein structure changes upon the nucleation of an AuNC within the protein for any future use as in vivo probes, for instance. In this work, we propose a simple and reliable fluorescence based technique measuring the hydrodynamic size of protein-templated gold nanoclusters. This technique uses the relation between the time resolved fluorescence anisotropy decay and the hydrodynamic volume, through the rotational correlation time. We determine the molecular size of protein-directed AuNCs, with protein templates of increasing sizes, e.g. insulin, lysozyme, and bovine serum albumin (BSA). The comparison of sizes obtained by other techniques (e.g. dynamic light scattering and small-angle X-ray scattering) between bare and gold clusters containing proteins allows us to address the volume changes induced either by conformational changes (for BSA) or the formation of protein dimers (for insulin and lysozyme) during cluster formation and incorporation.

X-ray vision of fuel sprays.

PubMed

Wang, Jin

2005-03-01

With brilliant synchrotron X-ray sources, microsecond time-resolved synchrotron X-ray radiography and tomography have been used to elucidate the detailed three-dimensional structure and dynamics of high-pressure high-speed fuel sprays in the near-nozzle region. The measurement allows quantitative determination of the fuel distribution in the optically impenetrable region owing to the multiple scattering of visible light by small atomized fuel droplets surrounding the jet. X-radiographs of the jet-induced shock waves prove that the fuel jets become supersonic under appropriate injection conditions and that the quantitative analysis of the thermodynamic properties of the shock waves can also be derived from the most direct measurement. In other situations where extremely axial-asymmetric sprays are encountered, mass deconvolution and cross-sectional fuel distribution models can be computed based on the monochromatic and time-resolved X-radiographic images collected from various rotational orientations of the sprays. Such quantitative analysis reveals the never-before-reported characteristics and most detailed near-nozzle mass distribution of highly transient fuel sprays.

Stall behavior of a scaled three-dimensional wind turbine blade

NASA Astrophysics Data System (ADS)

Mulleners, Karen; Melius, Matthew; Cal, Raul Bayoan

2014-11-01

The power generation of a wind turbine is influenced by many factors including the unsteady incoming flow characteristics, pitch regulation, and the geometry of the various turbine components. Within the framework of maximizing energy extraction, it is important to understand and tailor the aerodynamics of a wind turbine. In the interest of seeking further understanding into the complex flow over wind turbine blades, a three-dimensional scaled blade model has been designed and manufactured to be dynamically similar to a rotating full-scale NREL 5MW wind turbine blade. A wind tunnel experiment has been carried out in the 2.2 m × 1.8 m cross-section closed loop wind tunnel at DLR in Göttingen by means of time-resolved stereoscopic PIV. An extensive coherent structure analysis of the time-resolved velocity field over the suction side of the blade was performed to study stall characteristics under a geometrically induced pressure gradient. In particular, the radial extent and propagation of stalled flow regions were characterized for various static angles of attack.

Variability of a Stellar Corona on a Time Scale of Days: Evidence for Abundance Fractionation in an Emerging Coronal Active Region

NASA Technical Reports Server (NTRS)

Nordon, R.; Behar, E.; Drake, S. A.

2013-01-01

Elemental abundance effects in active coronae have eluded our understanding for almost three decades, since the discovery of the first ionization potential (FIP) effect on the sun. The goal of this paper is to monitor the same coronal structures over a time interval of six days and resolve active regions on a stellar corona through rotational modulation. We report on four iso-phase X-ray spectroscopic observations of the RS CVn binary EI Eri with XMM-Newton, carried out approximately every two days, to match the rotation period of EI Eri. We present an analysis of the thermal and chemical structure of the EI Eri corona as it evolves over the six days. Although the corona is rather steady in its temperature distribution, the emission measure and FIP bias both vary and seem to be correlated. An active region, predating the beginning of the campaign, repeatedly enters into our view at the same phase as it rotates from beyond the stellar limb. As a result, the abundances tend slightly, but consistently, to increase for high FIP elements (an inverse FIP effect) with phase. We estimate the abundance increase of high FIP elements in the active region to be of about 75% over the coronal mean. This observed fractionation of elements in an active region on time scales of days provides circumstantial clues regarding the element enrichment mechanism of non-flaring stellar coronae.

High-Resolution Rotational Spectrum, Dunham Coefficients, and Potential Energy Function of NaCl.

PubMed

Cabezas, C; Cernicharo, J; Quintana-Lacaci, G; Peña, I; Agundez, M; Prieto, L Velilla; Castro-Carrizo, A; Zuñiga, J; Bastida, A; Alonso, J L; Requena, A

2016-07-13

We report laboratory spectroscopy for the first time of the J = 1-0 and J = 2-1 lines of Na 35 Cl and Na 37 Cl in several vibrational states. The hyperfine structure has been resolved in both transitions for all vibrational levels, which permit us to predict with high accuracy the hyperfine splitting of the rotational transitions of the two isotopologues at higher frequencies. The new data have been merged with all previous works at microwave, millimeter, and infrared wavelengths and fitted to a series of mass-independent Dunham parameters and to a potential energy function. The obtained parameters have been used to compute a new dipole moment function, from which the dipole moment for infrared transitions up to Δ v = 8 has been derived. Frequency and intensity predictions are provided for all rovibrational transitions up to J = 150 and v = 8, from which the ALMA data of evolved stars can be modeled and interpreted.

Probing the electronic structure of UO+ with high-resolution photoelectron spectroscopy.

PubMed

Goncharov, Vasiliy; Kaledin, Leonid A; Heaven, Michael C

2006-10-07

The pulsed field ionization-zero kinetic energy photoelectron technique has been used to observe the low-lying energy levels of UO+. Rotationally resolved spectra were recorded for the ground state and the first nine electronically excited states. Extensive vibrational progressions were characterized. Omega+ assignments were unambiguously determined from the first rotational lines identified in each vibronic band. Term energies, vibrational frequencies, and anharmonicity constants for low-lying energy levels of UO+ are reported. In addition, accurate values for the ionization energies for UO [48,643.8(2) cm(-1)] and U [49,957.6(2) cm(-1)] were determined. The pattern of low-lying electronic states for UO+ indicates that they originate from the U3+(5f3)O2- configuration, where the uranium ion-centered interactions between the 5f electrons are significantly stronger than interactions with the intramolecular electric field. The latter lifts the degeneracy of U3+ ion-core states, but the atomic angular momentum quantum numbers remain reasonably well defined.

Accurate gas-phase structure of para-dioxane by fs Raman rotational coherence spectroscopy and ab initio calculations

NASA Astrophysics Data System (ADS)

Den, Takuya; Menzi, Samuel; Frey, Hans-Martin; Leutwyler, Samuel

2017-08-01

p-Dioxane is non-polar, hence its rotational constants cannot be determined by microwave rotational coherence spectroscopy (RCS). We perform high-resolution gas-phase rotational spectroscopy of para-dioxane-h8 and -d8 using femtosecond time-resolved Raman RCS in a gas cell at T = 293 K and in a pulsed supersonic jet at T ˜130 K. The inertial tensor of p-dioxane-h8 is strongly asymmetric, leading to a large number of asymmetry transients in its RCS spectrum. In contrast, the d8-isotopomer is a near-oblate symmetric top that exhibits a much more regular RCS spectrum with few asymmetry transients. Fitting the fs Raman RCS transients of p-dioxane-h8 to an asymmetric-top model yields the ground-state rotational constants A0 = 5084.4(5) MHz, B0 = 4684(1) MHz, C0 = 2744.7(8) MHz, and (A0 + B0)/2 = 4884.5(7) MHz (±1 σ ). The analogous values for p-dioxane-d8 are A0 = 4083(2) MHz, B0 = 3925(4) MHz, C0 = 2347.1(6) MHz, and (A0 + B0)/2 = 4002.4(6) MHz. We determine the molecular structure with a semi-experimental approach involving the highly correlated coupled-cluster singles, doubles and iterated triples method and the cc-pCVXZ basis set series from double- to quadruple-zeta (X = D, T, Q). Combining the calculated vibrationally averaged rotational constants A0c a l c(X ) ,B0c a l c(X ) ,C0c a l c(X ) for increasing basis-set size X with non-linear extrapolation to the experimental constants A0e x p,B0e x p,C0e x p allows to determine the equilibrium ground state structure of p-dioxane. For instance, the equilibrium C-C and C-O bond lengths are re(CC) = 1.5135(3) Å and re(CO) = 1.4168(4) Å, and the four axial C-H bond lengths are 0.008 Å longer than the four equatorial ones. The latter is ascribed to the trans-effect (anomeric effect), i.e., the partial delocalization of the electron lone-pairs on the O atoms that are oriented trans, relative to the axial CH bonds.

Infrared Space Observatory Observations of Far-Infrared Rotational Emission Lines of Water Vapor Toward the Supergiant Star VY Canis Majoris

NASA Technical Reports Server (NTRS)

Neufeld, David A.; Feuchtgruber, Helmut; Harwit, Martin; Melnick, Gary J.

1999-01-01

We report the detection of numerous far-infrared emission lines of water vapor toward the supergiant star VY Canis Majoris. A 29.5-45 micron grating scan of VY CMa, obtained using the Short-Wavelength Spectrometer (SWS) of the Infrared Space Observatory at a spectral resolving power lambda/delat.lambda of approximately 2000, reveals at least 41 spectral features due to water vapor that together radiate a total luminosity of approximately 25 solar luminosity . In addition to pure rotational transitions within the ground vibrational state, these features include rotational transitions within the (010) excited vibrational state. The spectrum also shows the (sup 2)product(sub 1/2) (J = 5/2) left arrow (sup 2)product(sub 3/2) (J = 3/2) OH feature near 34.6 micron in absorption. Additional SWS observations of VY CMa were carried out in the instrument's Fabry-Perot mode for three water transitions: the 7(sub 25)-6(sub 16) line at 29.8367 micron, the 4(sub 41)-3(sub 12) line at 31.7721 micron, and the 4(sub 32)-3(sub 03) line at 40.6909 micron. The higher spectral resolving power lambda/delta.lambda of approximately 30,000 thereby obtained permits the line profiles to be resolved spectrally for the first time and reveals the "P Cygni" profiles that are characteristic of emission from an outflowing envelope.

Photodissociation studies of the electronic and vibrational spectroscopy of Ni(+)(H2O).

PubMed

Daluz, Jennifer S; Kocak, Abdulkadir; Metz, Ricardo B

2012-02-09

The electronic spectrum of Ni⁺(H₂O) has been measured from 16200 to 18000 cm⁻¹ using photofragment spectroscopy. Transitions to two excited electronic states are observed; they are sufficiently long-lived that the spectrum is vibrationally and partially rotationally resolved. An extended progression in the metal-ligand stretch is observed, and the absolute vibrational quantum numbering is assigned by comparing isotopic shifts between ⁵⁸Ni⁺(H₂O) and ⁶⁰Ni⁺(H₂O). Time-dependent density functional calculations aid in assigning the spectrum. Two electronic transitions are observed, from the ²A₁ ground state (which correlates to the ²D, 3d⁹ ground state of Ni⁺) to the 3²A₁ and 2²A₂ excited states. These states are nearly degenerate and correlate to the ²F, 3d⁸4s excited state of Ni⁺. Both transitions are quite weak, but surprisingly, the transition to the ²A₂ state is stronger, although it is symmetry-forbidden. The 3d⁸4s states of Ni⁺ interact less strongly with water than does the ground state; therefore, the excited states observed are less tightly bound and have a longer metal-ligand bond than the ground state. Calculations at the CCSD(T)/aug-cc-pVTZ level predict that binding to Ni⁺ increases the H-O-H angle in water from 104.2 to 107.5° as the metal removes electron density from the oxygen lone pairs. The photodissociation spectrum shows well-resolved rotational structure due to rotation about the Ni-O axis. This permits determination of the spin rotation constants ε(αα)'' = -12 cm⁻¹ and ε(αα)' = -3 cm⁻¹ and the excited state rotational constant A' = 14.5 cm⁻¹. This implies a H-O-H angle of 104 ± 1° in the 2²A₂ excited state. The O-H stretching frequencies of the ground state of Ni⁺(H₂O) were measured by combining IR excitation with visible photodissociation in a double resonance experiment. The O-H symmetric stretch is ν₁'' = 3616.5 cm⁻¹; the antisymmetric stretch is ν₅'' = 3688 cm⁻¹. These values are 40 and 68 cm⁻¹ lower, respectively, than those in bare H₂O.

Straining and wrinkling processes during turbulence-premixed flame interaction measured using temporally-resolved diagnostics

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

Steinberg, Adam M.; Driscoll, James F.

2009-12-15

The dynamical processes of flame surface straining and wrinkling that occur as turbulence interacts with a premixed flame were measured using cinema-stereoscopic PIV (CS-PIV) and orthogonal-plane cinema-stereoscopic PIV (OPCS-PIV). These diagnostics provided temporally resolved measurements of turbulence-flame interaction at frame rates of up to 3 kHz and spatial resolutions as small as 280{mu} m. Previous descriptions of flame straining and wrinkling have typically been derived based on a canonical interaction between a pair of counter-rotating vortices and a planar flame surface. However, it was found that this configuration did not properly represent real turbulence-flame interaction. Interactions resembling the canonical configurationmore » were observed in less than 10% of the recorded frames. Instead, straining and wrinkling were generally caused more geometrically complex turbulence, consisting of large groups of structures that could be multiply curved and intertwined. The effect of the interaction was highly dependent on the interaction geometry. Furthermore, even when the turbulence did exist in the canonical geometry, the straining and wrinkling of the flame surface were not well characterized by the vortical structures. A new mechanistic description of the turbulence-flame interaction was therefore identified and confirmed by the measurements. In this description, flame surface straining is caused by coherent structures of fluid-dynamic strain-rate (strain-rate structures). The role of vortical structures is to curve existing flame surface, creating wrinkles. By simultaneously considering both forms of turbulent structure, turbulence-flame interactions in both the canonical configuration and more complex geometries could be understood. (author)« less

Formation and Atmosphere of Complex Organic Molecules of the HH 212 Protostellar Disk

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

Lee, Chin-Fei; Ho, Paul T. P.; Hirano, Naomi

HH 212 is a nearby (400 pc) Class 0 protostellar system recently found to host a “hamburger”-shaped dusty disk with a radius of ∼60 au, deeply embedded in an infalling-rotating flattened envelope. We have spatially resolved this envelope-disk system with the Atacama Large Millimeter/submillimeter Array at up to ∼16 au (0.″04) resolution. The envelope is detected in HCO{sup +} J = 4–3 down to the dusty disk. Complex organic molecules (COMs) and doubly deuterated formaldehyde (D{sub 2}CO) are detected above and below the dusty disk within ∼40 au of the central protostar. The COMs are methanol (CH{sub 3}OH), deuterated methanolmore » (CH{sub 2}DOH), methyl mercaptan (CH{sub 3}SH), and formamide (NH{sub 2}CHO, a prebiotic precursor). We have modeled the gas kinematics in HCO{sup +} and COMs and found a centrifugal barrier (CB) at a radius of ∼44 au, within which a Keplerian rotating disk is formed. This indicates that HCO{sup +} traces the infalling-rotating envelope down to the CB and COMs trace the atmosphere of a Keplerian rotating disk within the CB. The COMs are spatially resolved for the first time, both radially and vertically, in the atmosphere of a disk in the earliest, Class 0 phase of star formation. Our spatially resolved observations of COMs favor their formation in the disk rather than a rapidly infalling (warm) inner envelope. The abundances and spatial distributions of the COMs provide strong constraints on models of their formation and transport in low-mass star formation.« less

- and Frequency-Domain Signatures of Velocity Changing Collisions in Sub-Doppler Saturation Spectra and Pressure Broadening

NASA Astrophysics Data System (ADS)

Hall, Gregory; Xu, Hong; Forthomme, Damien; Dagdigian, Paul; Sears, Trevor

2017-06-01

We have combined experimental and theoretical approaches to the competition between elastic and inelastic collisions of CN radicals with Ar, and how this competition influences time-resolved saturation spectra. Experimentally, we have measured transient, two-color sub-Doppler saturation spectra of CN radicals with an amplitude chopped saturation laser tuned to selected Doppler offsets within rotational lines of the A-X (2-0) band, while scanning a frequency modulated probe laser across the hyperfine-resolved saturation features of corresponding rotational lines of the A-X (1-0) band. A steady-state depletion spectrum includes off-resonant contributions ascribed to velocity diffusion, and the saturation recovery rates depend on the sub-Doppler detuning. The experimental results are compared with Monte Carlo solutions to the Boltzmann equation for the collisional evolution of the velocity distributions of CN radicals, combined with a pressure-dependent and speed-dependent lifetime broadening. Velocity changing collisions are included by appropriately sampling the energy resolved differential cross sections for elastic scattering of selected rotational states of CN (X). The velocity space diffusion of Doppler tagged molecules proceeds through a series of small-angle scattering events, eventually terminating in an inelastic collision that removes the molecule from the coherently driven ensemble of interest. Collision energy-dependent total cross sections and differential cross sections for elastic scattering of selected CN rotational states with Ar were computed with Hibridon quantum scattering calculations, and used for sampling in the Monte Carlo modeling. Acknowledgments: Work at Brookhaven National Laboratory was carried out under Contract No. DE-SC0012704 with the U.S. Department of Energy, Office of Science, and supported by its Division of Chemical Sciences, Geosciences and Biosciences within the Office of Basic Energy Sciences.

Re-interpreting Prominences Classified as Tornadoes

NASA Astrophysics Data System (ADS)

Martin, Sara F.; Venkataramanasastry, Aparna

2015-04-01

Some papers in the recent literature identify tornado prominences with barbs of quiescent prominences while papers in the much older historic literature include a second category of tornado prominence that does not correspond to a barb of a quiescent prominence. The latter are described as prominence mass rotating around a nearly vertical axis prior to its eruption and the rotation was verified by spectral measurements. From H alpha Doppler-shifted mass motions recorded at Helio Research or the Dutch Open Telescope, we illustrate how the apparent tornado-like motions, identified with barbs, are illusions in our mind’s eye resulting from poorly resolved counterstreaming threads of mass in the barbs of quiescent prominences. In contrast, we confirm the second category of rotational motion in prominences shortly before and during eruption. In addition, we identify this second category as part of the late phase of a phenomenon called the roll effect in erupting prominences. In these cases, the eruption begins with the sideways rolling of the top of a prominence. As the eruption proceeds the rolling motion propagates down one leg or both legs of the prominence depending on whether the eruption is asymmetric or symmetric respectively. As an asymmetric eruption continues, the longer lasting leg becomes nearly vertical and its rotational motion also continues. If only this phase of the eruption was observed, as in some historic cases, it was called a tornado prominence. However, when we now observe entire eruptions in time-lapse sequences, the similarity to terrestrial tornadoes is lost. We conclude that neither prominence barbs, that give the illusion of rotation, nor the cases of true rotational motion, in the legs of erupting prominences, are usefully described as tornado prominences when the complete prominence structure or complete erupting event is observed.

High-resolution laser spectroscopy and magnetic effect of the B{sup ~2}E′ ← X{sup ~2}A{sub 2}′ transition of {sup 14}NO{sub 3} radical

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

Tada, Kohei; Kashihara, Wataru; Baba, Masaaki

2014-11-14

Rotationally resolved high-resolution fluorescence excitation spectra of {sup 14}NO{sub 3} radical have been observed for the 662 nm band, which is assigned as the 0–0 band of the B{sup ~2}E′ ←X{sup ~2}A{sub 2}′ transition, by crossing a single-mode laser beam perpendicularly to a collimated molecular beam. More than 3000 rotational lines were detected in 15 070–15 145 cm{sup −1} region, but it is difficult to find the rotational line series. Remarkable rotational line pairs, whose interval is about 0.0246 cm{sup −1}, were found in the observed spectrum. This interval is the same amount with the spin-rotation splitting of the X{sup ~2}A{sub 2}′more » (υ = 0, k = 0, N = 1) level. From this interval and the observed Zeeman splitting up to 360 G, seven line pairs were assigned as the transitions to the {sup 2}E′{sub 3/2} (J′ = 1.5) levels and 15 line pairs were assigned as the transitions to the {sup 2}E′{sub 1/2} (J′ = 0.5) levels. From the rotational analysis, we recognized that the {sup 2}E′ state splits into {sup 2}E′{sub 3/2} and {sup 2}E′{sub 1/2} by the spin-orbit interaction and the effective spin-orbit interaction constant was roughly estimated as –21 cm{sup −1}. From the number of the rotational line pairs, we concluded that the complicated rotational structure of this 662 nm band of {sup 14}NO{sub 3} mainly owes to the vibronic interaction between the B{sup ~2}E′ state and the dark A{sup ~2}E″ state through the a{sub 2}″ symmetry vibrational mode.« less

A rate-controlled teleoperator task with simulated transport delays

NASA Technical Reports Server (NTRS)

Pennington, J. E.

1983-01-01

A teleoperator-system simulation was used to examine the effects of two control modes (joint-by-joint and resolved-rate), a proximity-display method, and time delays (up to 2 sec) on the control of a five-degree-of-freedom manipulator performing a probe-in-hole alignment task. Four subjects used proportional rotational control and discrete (on-off) translation control with computer-generated visual displays. The proximity display enabled subjects to separate rotational errors from displacement (translation) errors; thus, when the proximity display was used with resolved-rate control, the simulated task was trivial. The time required to perform the simulated task increased linearly with time delay, but time delays had no effect on alignment accuracy. Based on the results of this simulation, several future studies are recommended.

A spatially resolving x-ray crystal spectrometer for measurement of ion-temperature and rotation-velocity profiles on the Alcator C-Mod tokamak.

PubMed

Hill, K W; Bitter, M L; Scott, S D; Ince-Cushman, A; Reinke, M; Rice, J E; Beiersdorfer, P; Gu, M-F; Lee, S G; Broennimann, Ch; Eikenberry, E F

2008-10-01

A new spatially resolving x-ray crystal spectrometer capable of measuring continuous spatial profiles of high resolution spectra (lambda/d lambda>6000) of He-like and H-like Ar K alpha lines with good spatial (approximately 1 cm) and temporal (approximately 10 ms) resolutions has been installed on the Alcator C-Mod tokamak. Two spherically bent crystals image the spectra onto four two-dimensional Pilatus II pixel detectors. Tomographic inversion enables inference of local line emissivity, ion temperature (T(i)), and toroidal plasma rotation velocity (upsilon(phi)) from the line Doppler widths and shifts. The data analysis techniques, T(i) and upsilon(phi) profiles, analysis of fusion-neutron background, and predictions of performance on other tokamaks, including ITER, will be presented.

Characterizing exo-ring systems around fast-rotating stars using the Rossiter-McLaughlin effect

NASA Astrophysics Data System (ADS)

de Mooij, Ernst J. W.; Watson, Christopher A.; Kenworthy, Matthew A.

2017-12-01

Planetary rings produce a distinct shape distortion in transit light curves. However, to accurately model such light curves the observations need to cover the entire transit, especially ingress and egress, as well as an out-of-transit baseline. Such observations can be challenging for long period planets, where the transits may last for over a day. Planetary rings will also impact the shape of absorption lines in the stellar spectrum, as the planet and rings cover different parts of the rotating star (the Rossiter-McLaughlin effect). These line-profile distortions depend on the size, structure, opacity, obliquity and sky-projected angle of the ring system. For slow-rotating stars, this mainly impacts the amplitude of the induced velocity shift; however, for fast-rotating stars the large velocity gradient across the star allows the line distortion to be resolved, enabling direct determination of the ring parameters. We demonstrate that by modelling these distortions we can recover ring system parameters (sky-projected angle, obliquity and size) using only a small part of the transit. Substructure in the rings, e.g. gaps, can be recovered if the width of the features (δW) relative to the size of the star is similar to the intrinsic velocity resolution (set by the width of the local stellar profile, γ) relative to the stellar rotation velocity (v sini, i.e. δW/R* ≳ vsini/γ). This opens up a new way to study the ring systems around planets with long orbital periods, where observations of the full transit, covering the ingress and egress, are not always feasible.

Consequences of high effective Prandtl number on solar differential rotation and convective velocity

NASA Astrophysics Data System (ADS)

Karak, Bidya Binay; Miesch, Mark; Bekki, Yuto

2018-04-01

Observations suggest that the large-scale convective velocities obtained by solar convection simulations might be over-estimated (convective conundrum). One plausible solution to this could be the small-scale dynamo which cannot be fully resolved by global simulations. The small-scale Lorentz force suppresses the convective motions and also the turbulent mixing of entropy between upflows and downflows, leading to a large effective Prandtl number (Pr). We explore this idea in three-dimensional global rotating convection simulations at different thermal conductivity (κ), i.e., at different Pr. In agreement with previous non-rotating simulations, the convective velocity is reduced with the increase of Pr as long as the thermal conductive flux is negligible. A subadiabatic layer is formed near the base of the convection zone due to continuous deposition of low entropy plumes in low-κ simulations. The most interesting result of our low-κ simulations is that the convective motions are accompanied by a change in the convection structure that is increasingly influenced by small-scale plumes. These plumes tend to transport angular momentum radially inward and thus establish an anti-solar differential rotation, in striking contrast to the solar rotation profile. If such low diffusive plumes, driven by the radiative-surface cooling, are present in the Sun, then our results cast doubt on the idea that a high effective Pr may be a viable solution to the solar convective conundrum. Our study also emphasizes that any resolution of the conundrum that relies on the downward plumes must take into account the angular momentum transport and heat transport.

CHARRON: Code for High Angular Resolution of Rotating Objects in Nature

NASA Astrophysics Data System (ADS)

Domiciano de Souza, A.; Zorec, J.; Vakili, F.

2012-12-01

Rotation is one of the fundamental physical parameters governing stellar physics and evolution. At the same time, spectrally resolved optical/IR long-baseline interferometry has proven to be an important observing tool to measure many physical effects linked to rotation, in particular, stellar flattening, gravity darkening, differential rotation. In order to interpret the high angular resolution observations from modern spectro-interferometers, such as VLTI/AMBER and VEGA/CHARA, we have developed an interferometry-oriented numerical model: CHARRON (Code for High Angular Resolution of Rotating Objects in Nature). We present here the characteristics of CHARRON, which is faster (≃q10-30 s per model) and thus more adapted to model-fitting than the first version of the code presented by Domiciano de Souza et al. (2002).

Heterogenous fluorescence decay of (4→6)-and (4→8)-linked dimers of (+)-catechin and (-) epicatechin as a result of rotational isomerism.

Treesearch

Wolfgang R. Bergmann; Mary D. Barkley; Richard W. Hemingway; Wayne Mattice

1987-01-01

The time-resolved fluorescence of (+)-catechin and ( -)-epicatechin decays as a single exponential. In contrast dimers formed from (+)-catechin and (-)-epicatechin have more complex decays unless rotation about the interflavan bond is constrained by the introduction of a new ring. The fluorescence decay in unconstrained dimers is adequately described by the sum of two...

METHOD AND APPARATUS FOR PRODUCING AND ANALYZING POLARIZED GAMMA RADIATION

DOEpatents

Hamermesh, M.; Hanna, S.S.; Perlow, G.J.

1964-04-21

A method of polarizing and resolving the plane of polarization of gamma rays is described. Polarization is produced by positioning a thin disc of ferromagnetic metal, cortaining /sup 57/Co, in a magnetic field. Resolution is accomplished by rotating a thin disc of iron enriched in /sup 57/Fe relative to a second magnetic field and noting the change of gamma absorption at each rotational position. (AEC)

Quantifying Discretization Effects on Brain Trauma Simulations

DTIC Science & Technology

2016-01-01

arbitrarily formed meshes can propagate error when resolving interactions among the skull , cerebrospinal fluid, and brain. We compared Lagrangian, pure...embedded methods from top to bottom. ......3 Fig. 2 Loading node-set for Eulerian rotational problem. The dark shaded area around the skull is the area to...and top inner edges of the skull . The example shown is a Lagrangian rotational model. The red and green materials represent the brain and skull

HBT-EP Program: MHD Dynamics and Active Control through 3D Fields and Currents

NASA Astrophysics Data System (ADS)

Navratil, G. A.; Bialek, J.; Brooks, J. W.; Byrne, P. J.; Desanto, S.; Levesque, J. P.; Mauel, M. E.; Stewart, I. G.; Hansen, C. J.

2017-10-01

The HBT-EP active mode control research program aims to: (i) advance understanding of the effects of 3D shaping on advanced tokamak fusion performance, (ii) resolve important MHD issues associated with disruptions, and (iii) measure and mitigate the effects of 3D scrape-off layer (SOL) currents through active and passive control of the plasma edge and conducting boundary structures. Comparison of kink mode structure and RMP response in circular versus diverted plasmas shows good agreement with DCON modeling. SOL current measurements have been used to study SOL current dynamics and current-sharing with the vacuum vessel wall during kink-mode growth and disruptions. A multi-chord extreme UV/soft X-ray array is being installed to provide detailed internal mode structure information. Internal local electrodes were used to apply local bias voltage at two radial locations to study the effect of rotation profile on MHD mode rotation and stability and radial current flow through the SOL. A GPU-based low latency control system using 96 inputs and 64 outputs to apply magnetic perturbations for active control of kink modes is extended to directly control the SOL currents for kink-mode control. An extensive array of SOL current monitors and edge drive electrodes are being installed for pioneering studies of helical edge current control. Supported by U.S. DOE Grant DE-FG02-86ER53222.

Kinematic rate control of simulated robot hand at or near wrist singularity

NASA Technical Reports Server (NTRS)

Barker, K.; Houck, J. A.; Carzoo, S. W.

1985-01-01

A robot hand should obey movement commands from an operator on a computer program as closely as possible. However, when two of the three rotational axes of the robot wrist are colinear, the wrist loses a degree of freedom, and the usual resolved rate equations (used to move the hand in response to an operator's inputs) are indeterminant. Furthermore, rate limiting occurs in close vicinity to this singularity. An analysis shows that rate limiting occurs not only in the vicinity of this singularity but also substantially away from it, even when the operator commands rotational rates of the robot hand that are only a small percentage of the operational joint rate limits. Therefore, joint angle rates are scaled when they exceed operational limits in a real time simulation of a robot arm. Simulation results show that a small dead band avoids the wrist singularity in the resolved rate equations but can introduce a high frequency oscillation close to the singularity. However, when a coordinated wrist movement is used in conjunction with the resolved rate equations, the high frequency oscillation disappears.

Electronic Transitions of Palladium Monoboride and Platinum Monoboride

NASA Astrophysics Data System (ADS)

Ng, Y. W.; Pang, H. F.; Wong, Y. S.; Qian, Yue; Cheung, A. S.-C.

2012-06-01

Electronic transition spectrum of palladium monoboride (PdB) and platinum (PtB) monoboride have been studied using the technique of laser-ablation/reaction free jet expansion and laser induced fluorescence spectroscopy. The metal monoborides were produced by reacting laser ablated metal atoms and diborane ((B_2H_6) seeded in argon. Five and six vibrational bands were observed respectively for the PdB and PtB molecules. Preliminary analysis of the rotationally resolved structure showed that both molecules have X2 Σ+ ground state. Least-squares fit of the measured line positions yielded molecular constants for the electronic states involved. Molecular and electronic structures of PdB and PtB are discussed using a molecular orbital energy level diagram. Financial support from the Research Grants Council of the Hong Kong Special Administrative Region, China (Project No. HKU 701008P) is gratefully acknowledged.

Detection and characterization of singly deuterated silylene, SiHD, via optical spectroscopy

DOE PAGES

Damian L. Kokkin; Sears, Trevor J.; Ma, Tongmei; ...

2016-06-27

Singly deuterated silylene has been detected and characterized in the gas-phase using high-resolution, two-dimensional, optical spectroscopy. Rotationally resolved lines in the 0 0 0X˜ 1A'→A˜ 1A" band are assigned to both c-type perpendicular transition and additional parallel, axis-switching induced bands. The extracted rotational constants were combined with those for SiH 2 and SiD 2 to determine an improved equilibrium bond length, r SiH, and bond angle, θ, of 1.5137 ± 0.0003 Å and 92.04° ± 0.05°, and 1.4853 ± 0.0005 Å and 122.48° ± 0.08° for the X˜ 1A'(0,0,0) and A˜ 1A"(0,0,0) state respectively. The dispersed fluorescence consists of amore » long progression in the A˜ 1A"(0,0,0)→X˜ 1A'(0,ν 2,0) emission which was analyzed to produce vibrational parameters. Furthermore, a strong quantum level dependence of the rotationally resolved radiative decay curves is analyzed.« less

Rotationally inelastic scattering of methyl radicals with Ar and N{sub 2}

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

Tkáč, Ondřej; Orr-Ewing, Andrew J., E-mail: a.orr-ewing@bristol.ac.uk; Ma, Qianli

2015-01-07

The rotationally inelastic scattering of methyl radical with Ar and N{sub 2} is examined at collision energies of 330 ± 25 cm{sup −1} and 425 ± 50 cm{sup −1}, respectively. Differential cross sections (DCSs) were measured for different final n′ rotational levels (up to n′ = 5) of the methyl radicals, averaged over k′ sub-levels, using a crossed molecular beam machine with velocity map imaging. For Ar as a collision partner, we present a newly constructed ab initio potential energy surface and quantum mechanical scattering calculations of state-resolved DCSs. These computed DCSs agree well with the measurements. The DCSs formore » both Ar and N{sub 2} collision partners are strongly forward peaked for all spectroscopic lines measured. For scattering angles below 60°, the theoretical CD{sub 3}–Ar DCSs show diffraction oscillations that become less pronounced as n′ increases, but these oscillations are not resolved experimentally. Comparisons are drawn with our recently reported DCSs for scattering of methyl radicals with He atoms.« less

Laser magnetic resonance in supersonic plasmas - The rotational spectrum of SH(+)

NASA Technical Reports Server (NTRS)

Hovde, David C.; Saykally, Richard J.

1987-01-01

The rotational spectrum of v = 0 and v = 1X3Sigma(-)SH(+) was measured by laser magnetic resonance. Rotationally cold (Tr = 30 K), vibrationally excited (Tv = 3000 K) ions were generated in a corona excited supersonic expansion. The use of this source to identify ion signals is described. Improved molecular parameters were obtained; term values are presented from which astrophysically important transitions may be calculated. Accurate hyperfine parameters for both vibrational levels were determined and the vibrational dependence of the Fermi contact interaction was resolved. The hyperfine parameters agree well with recent many-body perturbation theory calculations.

Model Prediction of Self-Rotating Excitons in Two-Dimensional Transition-Metal Dichalcogenides

NASA Astrophysics Data System (ADS)

Trushin, Maxim; Goerbig, Mark Oliver; Belzig, Wolfgang

2018-05-01

Using the quasiclassical concept of Berry curvature we demonstrate that a Dirac exciton—a pair of Dirac quasiparticles bound by Coulomb interactions—inevitably possesses an intrinsic angular momentum making the exciton effectively self-rotating. The model is applied to excitons in two-dimensional transition metal dichalcogenides, in which the charge carriers are known to be described by a Dirac-like Hamiltonian. We show that the topological self-rotation strongly modifies the exciton spectrum and, as a consequence, resolves the puzzle of the overestimated two-dimensional polarizability employed to fit earlier spectroscopic measurements.

Inducer Hydrodynamic Forces in a Cavitating Environment

NASA Technical Reports Server (NTRS)

Skelley, Stephen E.

2004-01-01

Marshall Space Flight Center has developed and demonstrated a measurement device for sensing and resolving the hydrodynamic loads on fluid machinery. The device - a derivative of the six-component wind tunnel balance - senses the forces and moments on the rotating device through a weakened shaft section instrumented with a series of strain gauges. This rotating balance was designed to directly measure the steady and unsteady hydrodynamic loads on an inducer, thereby defining the amplitude and frequency content associated with operating in various cavitation modes. The rotating balance was calibrated statically using a dead-weight load system in order to generate the 6 x 12 calibration matrix later used to convert measured voltages to engineering units. Structural modeling suggested that the rotating assembly first bending mode would be significantly reduced with the balance s inclusion. This reduction in structural stiffness was later confirmed experimentally with a hammer-impact test. This effect, coupled with the relatively large damping associated with the rotating balance waterproofing material, limited the device s bandwidth to approximately 50 Hertz Other pre-test validations included sensing the test article rotating assembly built-in imbalance for two configurations and directly measuring the assembly mass and buoyancy while submerged under water. Both tests matched predictions and confirmed the device s sensitivity while stationary and rotating. The rotating balance was then demonstrated in a water test of a full-scale Space Shuttle Main Engine high-pressure liquid oxygen pump inducer. Experimental data was collected a scaled operating conditions at three flow coefficients across a range of cavitation numbers for the single inducer geometry and radial clearance. Two distinct cavitation modes were observed symmetric tip vortex cavitation and alternate-blade cavitation. Although previous experimental tests on the same inducer demonstrated two additional cavitation modes at lower inlet pressures, these conditions proved unreachable with the rotating balance installed due to the intense dynamic environment. The sensed radial load was less influenced by flow coefficient than by cavitation number or cavitation mode although the flow coefficient range was relatively narrow. Transition from symmetric tip vortex to alternate-blade cavitation corresponded to changes in both radial load magnitude and radial load orientation relative to the inducer. Sensed moments indicated that the effective load center moved downstream during this change in cavitation mode. An occurrence of "higher+rdex cavitation" was also detected in both the stationary pressures and the rotating balance data although the frequency of the phenomena was well above the reliable bandwidth of the rotating balance. In summary the experimental tests proved both the concept and device s capability despite the limitations and confirmed that hydrodynamically-induced forces and moments develop in response to the unbalanced pressure field, which is, in turn, a product of the cavitation environment.

High Resolution Infrared Spectroscopy of Molecules of Terrestrial and Planetary Interest

NASA Technical Reports Server (NTRS)

Freedman, Richard S.

2001-01-01

In collaboration with the laboratory spectroscopy group of the Ames Atmospheric Physics Research Branch (SGP), high resolution infrared spectra of molecules that are of importance for the dynamics of the earth's and other planets' atmospheres were acquired using the SGP high resolution Fourier transform spectrometer and gas handling apparatus. That data, along with data acquired using similar instrumentation at the Kitt Peak National Observatory was analyzed to determine the spectral parameters for each of the rotationally resolved transitions for each molecule. Those parameters were incorporated into existing international databases (e.g. HITRANS and GEISA) so that field measurements could be converted into quantitative information regarding the physical and chemical structures of earth and planetary atmospheres.

Spatially resolved measurements of two-dimensional turbulent structures in DIII-D plasmas

DOE PAGES

Zemedkun, Samuel E.; Che, S.; Chen, Y.; ...

2015-12-21

Here, two-dimensional observations of spatially-coherent electron temperature fluctuations at drift wave scales (k ~1 cm -1) have been made using the electron cyclotron emission imaging (ECEI) diagnostic on the DIII-D tokamak. These measurements enable the extraction of spectral properties, including poloidal dispersion relations. Temperature fluctuation levels are found to be ˜ T e/< T e > = 1.2%, and the phase velocity of the fluctuations is found to be constant across frequencies, consistent with modes having real frequencies low compared to the rotation-induced Doppler shifts. Comparisons with radially global linear gyrokinetic simulations suggest that the observed modes may be trappedmore » electron modes (TEM).« less

NICER Packaging for SpaceX CRS-11

NASA Image and Video Library

2017-04-06

Inside the Space Station Processing Facility high bay at NASA's Kennedy Space Center in Florida, technicians prepare the Neutron star Interior Composition Explorer, or NICER, payload for final packaging. NICER will be delivered to the International Space Station aboard the SpaceX Dragon cargo carrier on the company’s 11th commercial resupply services mission to the space station. NICER will study neutron stars through soft X-ray timing. NICER will enable rotation-resolved spectroscopy of the thermal and non-thermal emissions of neutron stars in the soft X-ray band with unprecedented sensitivity, probing interior structure, the origins of dynamic phenomena and the mechanisms that underlie the most powerful cosmic particle accelerators known.

NICER Packaging for SpaceX CRS-11

NASA Image and Video Library

2017-04-06

Inside the Space Station Processing Facility high bay at NASA's Kennedy Space Center in Florida, the Neutron star Interior Composition Explorer, or NICER, payload is secured on a special test stand. NICER will be delivered to the International Space Station aboard the SpaceX Dragon cargo carrier on the company’s 11th commercial resupply services mission to the space station. NICER will study neutron stars through soft X-ray timing. NICER will enable rotation-resolved spectroscopy of the thermal and non-thermal emissions of neutron stars in the soft X-ray band with unprecedented sensitivity, probing interior structure, the origins of dynamic phenomena and the mechanisms that underlie the most powerful cosmic particle accelerators known.

NICER Packaging for SpaceX CRS-11

NASA Image and Video Library

2017-04-06

Inside the Space Station Processing Facility high bay at NASA's Kennedy Space Center in Florida, a technician prepares the Neutron star Interior Composition Explorer, or NICER, payload for final packaging. NICER will be delivered to the International Space Station aboard the SpaceX Dragon cargo carrier on the company’s 11th commercial resupply services mission to the space station. NICER will study neutron stars through soft X-ray timing. NICER will enable rotation-resolved spectroscopy of the thermal and non-thermal emissions of neutron stars in the soft X-ray band with unprecedented sensitivity, probing interior structure, the origins of dynamic phenomena and the mechanisms that underlie the most powerful cosmic particle accelerators known.

NICER Packaging for SpaceX CRS-11

NASA Image and Video Library

2017-04-06

Inside the Space Station Processing Facility high bay at NASA's Kennedy Space Center in Florida, the Neutron star Interior Composition Explorer, or NICER, payload is being prepared for final packaging. NICER will be delivered to the International Space Station aboard the SpaceX Dragon cargo carrier on the company’s 11th commercial resupply services mission to the space station. NICER will study neutron stars through soft X-ray timing. NICER will enable rotation-resolved spectroscopy of the thermal and non-thermal emissions of neutron stars in the soft X-ray band with unprecedented sensitivity, probing interior structure, the origins of dynamic phenomena and the mechanisms that underlie the most powerful cosmic particle accelerators known.

NICER Transfer (for SpaceX CRS-11)

NASA Image and Video Library

2017-04-12

Inside the Space Station Processing Facility high bay at NASA's Kennedy Space Center in Florida, the Neutron star Interior Composition Explorer, or NICER, payload is secured inside a protective container. NICER will be delivered to the International Space Station aboard the SpaceX Dragon cargo carrier on the company’s 11th commercial resupply services mission to the space station. NICER will study neutron stars through soft X-ray timing. NICER will enable rotation-resolved spectroscopy of the thermal and non-thermal emissions of neutron stars in the soft X-ray band with unprecedented sensitivity, probing interior structure, the origins of dynamic phenomena and the mechanisms that underlie the most powerful cosmic particle accelerators known.

A Multicomponent Large Ringlaser for Seismology: First Observations

NASA Astrophysics Data System (ADS)

Igel, H.; Gebauer, A.; Simonelli, A.; Kodet, J.; Bernauer, F.; Donner, S.; Wassermann, J. M.; Tanimoto, T.; Schreiber, K. U.

2017-12-01

During 2016 a large 4-component ring laser structure called "Romy" was built and implemented underground in the Geophysical Observatory of the Ludwig-Maximilians-University (LMU) 20km outside Munich primarily funded by the European Research Council and LMU. The ring laser has a tetrahedral top-down shape with four triangles of 12m side length. The independent triangular He-Ne ring lasers with 12 m side length are expected to resolve rotational motions down to 12 prad/s/sqrt(Hz), allowing us to record below the assumed low-noise model for rotational ground motions in a wide frequency band (e.g., ocean-generated noise, free oscillations, local regional and global earthquakes). Recently, Romy was described in a feature article in Science (Hand, DOI: 10.1126/science.aal1069). We will present the current state of the instrument and discuss the operation principle and quality of the ring laser components. First observations include the ocean-generated noise, the late 2016 earthquake sequence of Italy, and several teleseismic events. We compare ring laser observations from different sites (Gran Sasso Underground Laboratory, Italy, and G-ring Wettzell, Germany) in relation with their local site conditions. We report on future plans to stabilize the ring geometry providing long-term stability for geodetic applications such as the precise measurement of the Earth's complete rotation vector.

Optical Multi-Channel Intensity Interferometry - Or: How to Resolve O-Stars in the Magellanic Clouds

NASA Astrophysics Data System (ADS)

Trippe, Sascha; Kim, Jae-Young; Lee, Bangwon; Choi, Changsu; Oh, Junghwan; Lee, Taeseok; Yoon, Sung-Chul; Im, Myungshin; Park, Yong-Sun

2014-12-01

Intensity interferometry, based on the Hanbury Brown--Twiss effect, is a simple and inexpensive method for optical interferometry at microarcsecond angular resolutions; its use in astronomy was abandoned in the 1970s because of low sensitivity. Motivated by recent technical developments, we argue that the sensitivity of large modern intensity interferometers can be improved by factors up to approximately 25,000, corresponding to 11 photometric magnitudes, compared to the pioneering Narrabri Stellar Interferometer. This is made possible by (i) using avalanche photodiodes (APD) as light detectors, (ii) distributing the light received from the source over multiple independent spectral channels, and (iii) use of arrays composed of multiple large light collectors. Our approach permits the construction of large (with baselines ranging from few kilometers to intercontinental distances) optical interferometers at the cost of (very) long-baseline radio interferometers. Realistic intensity interferometer designs are able to achieve limiting R-band magnitudes as good as m_R≈14, sufficient for spatially resolved observations of main-sequence O-type stars in the Magellanic Clouds. Multi-channel intensity interferometers can address a wide variety of science cases: (i) linear radii, effective temperatures, and luminosities of stars, via direct measurements of stellar angular sizes; (ii) mass--radius relationships of compact stellar remnants, via direct measurements of the angular sizes of white dwarfs; (iii) stellar rotation, via observations of rotation flattening and surface gravity darkening; (iv) stellar convection and the interaction of stellar photospheres and magnetic fields, via observations of dark and bright starspots; (v) the structure and evolution of multiple stars, via mapping of the companion stars and of accretion flows in interacting binaries; (vi) direct measurements of interstellar distances, derived from angular diameters of stars or via the interferometric Baade--Wesselink method; (vii) the physics of gas accretion onto supermassive black holes, via resolved observations of the central engines of luminous active galactic nuclei; and (viii) calibration of amplitude interferometers by providing a sample of calibrator stars.

Quantum Theory of Three-Dimensional Superresolution Using Rotating-PSF Imagery

NASA Astrophysics Data System (ADS)

Prasad, S.; Yu, Z.

The inverse of the quantum Fisher information (QFI) matrix (and extensions thereof) provides the ultimate lower bound on the variance of any unbiased estimation of a parameter from statistical data, whether of intrinsically quantum mechanical or classical character. We calculate the QFI for Poisson-shot-noise-limited imagery using the rotating PSF that can localize and resolve point sources fully in all three dimensions. We also propose an experimental approach based on the use of computer generated hologram and projective measurements to realize the QFI-limited variance for the problem of super-resolving a closely spaced pair of point sources at a highly reduced photon cost. The paper presents a preliminary analysis of quantum-limited three-dimensional (3D) pair optical super-resolution (OSR) problem with potential applications to astronomical imaging and 3D space-debris localization.

Development of a spatially resolving x-ray crystal spectrometer for measurement of ion-temperature (T(i)) and rotation-velocity (v) profiles in ITER.

PubMed

Hill, K W; Bitter, M; Delgado-Aparicio, L; Johnson, D; Feder, R; Beiersdorfer, P; Dunn, J; Morris, K; Wang, E; Reinke, M; Podpaly, Y; Rice, J E; Barnsley, R; O'Mullane, M; Lee, S G

2010-10-01

Imaging x-ray crystal spectrometer (XCS) arrays are being developed as a US-ITER activity for Doppler measurement of T(i) and v profiles of impurities (W, Kr, and Fe) with ∼7 cm (a/30) and 10-100 ms resolution in ITER. The imaging XCS, modeled after a prototype instrument on Alcator C-Mod, uses a spherically bent crystal and 2D x-ray detectors to achieve high spectral resolving power (E/dE>6000) horizontally and spatial imaging vertically. Two arrays will measure T(i) and both poloidal and toroidal rotation velocity profiles. The measurement of many spatial chords permits tomographic inversion for the inference of local parameters. The instrument design, predictions of performance, and results from C-Mod are presented.

Infrared Space Observatory Observations of Far-Infrared Rotational Emission Lines of Water Vapor toward the Supergiant Star VY Canis Majoris

NASA Astrophysics Data System (ADS)

Neufeld, David A.; Feuchtgruber, Helmut; Harwit, Martin; Melnick, Gary J.

1999-06-01

We report the detection of numerous far-infrared emission lines of water vapor toward the supergiant star VY Canis Majoris. A 29.5-45 μm grating scan of VY CMa, obtained using the Short-Wavelength Spectrometer (SWS) of the Infrared Space Observatory at a spectral resolving power λ/Δλ of ~2000, reveals at least 41 spectral features due to water vapor that together radiate a total luminosity of ~25 Lsolar. In addition to pure rotational transitions within the ground vibrational state, these features include rotational transitions within the (010) excited vibrational state. The spectrum also shows the 2Π1/2(J=5/2)<--2Π3/2(J=3/2) OH feature near 34.6 μm in absorption. Additional SWS observations of VY CMa were carried out in the instrument's Fabry-Perot mode for three water transitions: the 725-616 line at 29.8367 μm, the 441-312 line at 31.7721 μm, and the 432-303 line at 40.6909 μm. The higher spectral resolving power λ/Δλ of approximately 30,000 thereby obtained permits the line profiles to be resolved spectrally for the first time and reveals the ``P Cygni'' profiles that are characteristic of emission from an outflowing envelope. Based on observations with ISO, an ESA project with instruments funded by ESA Member States (especially the PI countries: France, Germany, the Netherlands, and the UK) with the participation of ISAS and NASA.

Dislocation imaging for orthopyroxene using an atom-resolved scanning transmission electron microscopy.

PubMed

Kumamoto, Akihito; Kogure, Toshihiro; Raimbourg, Hugues; Ikuhara, Yuichi

2014-11-01

Dislocations, one-dimensional lattice defects, appear as a microscopic phenomenon while they are formed in silicate minerals by macroscopic dynamics of the earth crust such as shear stress. To understand ductile deformation mechanisms of silicates, atomic structures of the dislocations have been examined using transmission electron microscopy (TEM). Among them, it has been proposed that {100}<001> primary slip system of orthopyroxene (Opx) is dissociated into partial dislocations, and a stacking fault with the clinopyroxene (Cpx) structure is formed between the dislocations. This model, however, has not been determined completely due to the complex structures of silicates. Scanning transmission electron microscopy (STEM) has a potential to determine the structure of dislocations with single-atomic column sensitivity, particularly by using high-angle annular dark field (HAADF) and annular bright field (ABF) imaging with a probing aberration corrector.[1] Furthermore, successive analyses from light microscopy to atom-resolved STEM have been achieved by focused ion beam (FIB) sampling techniques.[2] In this study, we examined dislocation arrays at a low-angle grain boundary of ∼1° rotation about the b-axis in natural deformed Opx using a simultaneous acquisition of HAADF/ABF (JEM-ARM200F, JEOL) equipped with 100 mm2 silicon drift detector (SDD) for energy dispersive X-ray spectroscopy (EDS). Figure 1 shows averaged STEM images viewed along the b- axis of Opx extracted from repeating units. HAADF provides the cation-site arrangement, and ABF distinguishes the difference of slightly rotated SiO4 tetrahedron around the a- axis. This is useful to distinguish the change of stacking sequence between the partial dislocations. Two types of stacking faults with Cpx and protopyroxene (Ppx) structures were identified between three partial dislocations. Furthermore, Ca accumulation in M2 (Fe) site around the stacking faults was detected by STEM-EDS. Interestingly, Ca is distributed not only in these stacking faults but also Opx matrix around the faults. jmicro;63/suppl_1/i17/DFU063F1F1DFU063F1Fig. 1. (a) HAADF and (b) ABF of Opx view of [010] direction with inset simulation images and models of its unit cell (a = 0.52, c = 1.83 nm). © The Author 2014. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Probing the solvation structure and dynamics in ionic liquids by time-resolved infrared spectroscopy of 4-(dimethylamino)benzonitrile.

PubMed

Ando, Rômulo A; Brown-Xu, Samantha E; Nguyen, Lisa N Q; Gustafson, Terry L

2017-09-20

In this work we demonstrate the use of the push-pull model system 4-(dimethylamino)benzonitrile (DMABN) as a convenient molecular probe to investigate the local solvation structure and dynamics by means of time-resolved infrared spectroscopy (TRIR). The photochemical features associated with this system provide several advantages due to the high charge separation between the ground and charge transfer states involving the characteristic nitrile bond, and an excited state lifetime that is long enough to observe the slow solvation dynamics in organic solvents and ionic liquids. The conversion from a locally excited state to an intramolecular charge transfer state (LE-ICT) in ionic liquids shows similar kinetic lifetimes in comparison to organic solvents. This similarity confirms that such conversion depends solely on the intramolecular reorganization of DMABN in the excited state, and not by the dynamics of solvation. In contrast, the relative shift of the ν(CN) vibration during the relaxation of the ICT state reveals two distinct lifetimes that are sensitive to the solvent environment. This study reveals a fast time component which is attributed to the dipolar relaxation of the solvent and a slower time component related to the rotation of the dimethylamino group of DMABN.

Complex demodulation in VLBI estimation of high frequency Earth rotation components

NASA Astrophysics Data System (ADS)

Böhm, S.; Brzeziński, A.; Schuh, H.

2012-12-01

The spectrum of high frequency Earth rotation variations contains strong harmonic signal components mainly excited by ocean tides along with much weaker non-harmonic fluctuations driven by irregular processes like the diurnal thermal tides in the atmosphere and oceans. In order to properly investigate non-harmonic phenomena a representation in time domain is inevitable. We present a method, operating in time domain, which is easily applicable within Earth rotation estimation from Very Long Baseline Interferometry (VLBI). It enables the determination of diurnal and subdiurnal variations, and is still effective with merely diurnal parameter sampling. The features of complex demodulation are used in an extended parameterization of polar motion and universal time which was implemented into a dedicated version of the Vienna VLBI Software VieVS. The functionality of the approach was evaluated by comparing amplitudes and phases of harmonic variations at tidal periods (diurnal/semidiurnal), derived from demodulated Earth rotation parameters (ERP), estimated from hourly resolved VLBI ERP time series and taken from a recently published VLBI ERP model to the terms of the conventional model for ocean tidal effects in Earth rotation recommended by the International Earth Rotation and Reference System Service (IERS). The three sets of tidal terms derived from VLBI observations extensively agree among each other within the three-sigma level of the demodulation approach, which is below 6 μas for polar motion and universal time. They also coincide in terms of differences to the IERS model, where significant deviations primarily for several major tidal terms are apparent. An additional spectral analysis of the as well estimated demodulated ERP series of the ter- and quarterdiurnal frequency bands did not reveal any significant signal structure. The complex demodulation applied in VLBI parameter estimation could be demonstrated a suitable procedure for the reliable reproduction of high frequency Earth rotation components and thus represents a qualified tool for future studies of irregular geophysical signals in ERP measured by space geodetic techniques.

New Paleomagnetic Data from the Wadi Abyad Crustal Section and their Implications for the Rotation History of the Oman Ophiolite

NASA Astrophysics Data System (ADS)

Meyer, M.; Morris, A.; Anderson, M.; MacLeod, C. J.

2014-12-01

The Oman ophiolite is an important natural laboratory for understanding the construction of oceanic crust at fast spreading axes and its subsequent tectonic evolution. Previous paleomagnetic research in lavas of the northern ophiolitic blocks (Perrin et al., 2000, Mar. Geophys. Res.) has demonstrated substantial clockwise intraoceanic tectonic rotations. Paleomagnetic data from lower crustal sequences in the southern blocks, however, have been more equivocal due to complications arising from remagnetization, and have been used to infer that clockwise rotations seen in the north are internal to the ophiolite rather than regionally significant (Weiler, 2000, Mar. Geophys. Res.). Here we demonstrate the importance and advantages of sampling crustal transects in the ophiolite in order to understand the nature and variability in magnetization directions. By systematically sampling the lower crustal sequence exposed in Wadi Abyad (Rustaq block) we resolve for the first time in a single section a pattern of remagnetized lowermost gabbros and retention of earlier magnetizations by uppermost gabbros and the overlying dyke-rooting zone. Results are supported by a positive fold test that shows that remagnetization of lower gabbros occurred prior to the Campanian structural disruption of the Moho. NW-directed remagnetized remanences in the lower units are consistent with those used by Weiler (2000, Mar. Geophys. Res.) to infer lack of significant rotation of the southern blocks and to argue, therefore, that rotation of the northern blocks was internal to the ophiolite. In contrast, E/ENE-directed remanences in the uppermost levels of Wadi Abyad imply a large, clockwise rotation of the Rustaq block, of a sense and magnitude consistent with intraoceanic rotations inferred from extrusive sections in the northern blocks. We conclude that without the control provided by systematic crustal sampling, the potential for different remanence directions being acquired at different times may lead to erroneous tectonic interpretation.

The Rovibronic Spectra of the Cyclopentadienyl Radical

NASA Astrophysics Data System (ADS)

Sharma, Ketan; Miller, Terry A.; Stanton, John F.; Nesbitt, David

2017-06-01

Cyclopentadienyl (Cp) radical has been subject to numerous studies for the greater part of half a century. Experimental work has involved photo-electron spectroscopy, laser induced fluorescence excitation and emission, infrared absorption spectroscopy, and recently rotationally resolved spectra in the CH stretch region taken at JILA. Even more theoretical works appear in the literature, but substantial advances in computation have occurred since their completion. Cp's highly symmetric (D_{5h}) structure and doubly degenerate electronic ground (˜{X}^2E_1^{''}), which is subject to linear Jahn-Teller distortion, have been a great motivation for work on it. We have commenced new computational work to obtain a broad understanding of the electronic, vibrational, and rotational, i.e. rovibronic, structure of the Cp radical as revealed by its spectra, with particular emphasis on the new infrared spectra. The goal is to guide experiments and their analyses and reconcile results from spectroscopy and quantum chemistry calculations. T. Ichino, et al. J. Chem. Phys. 129, 084310 (2008) L. Yu, S. C. Foster, J. M. Williamson, M. C. Heaven and T. A. Miller J. Phys. Chem. 92, 4263 (1988) B. E. Applegate, A. J. Bezant and T. A. Miller J. Chem. Phys 114, 4869 (2001) D. Leicht, M. Kaufmann, G. Schwaab, and M. Havenith J. Chem. Phys. 145, 7 (2016), 074304.

Stimulated emission pumping spectroscopy of the [X](1)A' state of CHF.

PubMed

Mukarakate, Calvin; Tao, Chong; Jordan, Christopher D; Polik, William F; Reid, Scott A

2008-01-24

We have recorded stimulated emission pumping (SEP) spectra of the A1A' ' 1A' system of CHF, which reveal rich detail concerning the rovibronic structure of the 1A' state up to approximately 7000 cm-1 above the vibrationless level. Using several intermediate A1A' ' state levels, we obtained rotationally resolved spectra for 16 of the 33 levels observed in our previous single vibronic level (SVL) emission study (Fan et al., J. Chem. Phys. 2005, 123, 014314), in addition to one new level. An anharmonic effective Hamiltonian model poorly reproduces the term energies even with the improved set of data because of the extensive interactions among levels in a given polyad (p) having combinations of nu1, nu2, nu3, which satisfy the relationship p = 2nu1 + nu2 + nu3. However, the precise A rotational constants determined from the SEP data were invaluable in clarifying the assignments for these strongly perturbed levels, and the data are well reproduced using a multiresonance effective Hamiltonian model. The derived vibrational parameters are in good agreement with high level ab initio calculations. The experimental frequencies were combined with those of CDF to derive a harmonic force field and average (rz,r(z)e) structures for the ground state.

Relativistic theory of nuclear spin-rotation tensor with kinetically balanced rotational London orbitals

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

Xiao, Yunlong; Zhang, Yong; Liu, Wenjian, E-mail: liuwjbdf@gmail.com

2014-10-28

Both kinetically balanced (KB) and kinetically unbalanced (KU) rotational London orbitals (RLO) are proposed to resolve the slow basis set convergence in relativistic calculations of nuclear spin-rotation (NSR) coupling tensors of molecules containing heavy elements [Y. Xiao and W. Liu, J. Chem. Phys. 138, 134104 (2013)]. While they perform rather similarly, the KB-RLO Ansatz is clearly preferred as it ensures the correct nonrelativistic limit even with a finite basis. Moreover, it gives rise to the same “direct relativistic mapping” between nuclear magnetic resonance shielding and NSR coupling tensors as that without using the London orbitals [Y. Xiao, Y. Zhang, andmore » W. Liu, J. Chem. Theory Comput. 10, 600 (2014)].« less

Vibration-rotation alchemy in acetylene (12C2H2), ? at low vibrational excitation: from high resolution spectroscopy to fast intramolecular dynamics

NASA Astrophysics Data System (ADS)

Perry, David S.; Miller, Anthony; Amyay, Badr; Fayt, André; Herman, Michel

2010-04-01

The link between energy-resolved spectra and time-resolved dynamics is explored quantitatively for acetylene (12C2H2), ? with up to 8600 cm-1 of vibrational energy. This comparison is based on the extensive and reliable knowledge of the vibration-rotation energy levels and on the model Hamiltonian used to fit them to high precision [B. Amyay, S. Robert, M. Herman, A. Fayt, B. Raghavendra, A. Moudens, J. Thiévin, B. Rowe, and R. Georges, J. Chem. Phys. 131, 114301 (2009)]. Simulated intensity borrowing features in high resolution absorption spectra and predicted survival probabilities in intramolecular vibrational redistribution (IVR) are first investigated for the v 4 + v 5 and v 3 bright states, for J = 2, 30 and 100. The dependence of the results on the rotational quantum number and on the choice of vibrational bright state reflects the interplay of three kinds of off-diagonal resonances: anharmonic, rotational l-type, and Coriolis. The dynamical quantities used to characterize the calculated time-dependent dynamics are the dilution factor φ d, the IVR lifetime τ IVR , and the recurrence time τ rec. For the two bright states v 3 + 2v 4 and 7v 4, the collisionless dynamics for thermally averaged rotational distributions at T = 27, 270 and 500 K were calculated from the available spectroscopic data. For the 7v 4 bright state, an apparent irreversible decay of is found. In all cases, the model Hamiltonian allows a detailed calculation of the energy flow among all of the coupled zeroth-order vibration-rotation states.

Resolved H I Observations of Local Analogs to z ∼ 1 Luminous Compact Blue Galaxies: Evidence for Rotation-supported Disks

NASA Astrophysics Data System (ADS)

Rabidoux, Katie; Pisano, D. J.; Garland, C. A.; Guzmán, Rafael; Castander, Francisco J.; Wolfe, Spencer A.

2018-01-01

While bright, blue, compact galaxies are common at z∼ 1, they are relatively rare in the local universe, and their evolutionary paths are uncertain. We have obtained resolved H I observations of nine z∼ 0 luminous compact blue galaxies (LCBGs) using the Giant Metrewave Radio Telescope and Very Large Array in order to measure their kinematic and dynamical properties and better constrain their evolutionary possibilities. We find that the LCBGs in our sample are rotating galaxies that tend to have nearby companions, relatively high central velocity dispersions, and can have disturbed velocity fields. We calculate rotation velocities for each galaxy by measuring half of the velocity gradient along their major axes and correcting for inclination using axis ratios derived from SDSS images of each galaxy. We compare our measurements to those previously made with single dishes and find that single-dish measurements tend to overestimate LCBGs’ rotation velocities and H I masses. We also compare the ratio of LCBGs’ rotation velocities and velocity dispersions to those of other types of galaxies and find that LCBGs are strongly rotationally supported at large radii, similar to other disk galaxies, though within their half-light radii the {V}{rot}/σ values of their H I are comparable to stellar {V}{rot}/σ values of dwarf elliptical galaxies. We find that LCBGs’ disks on average are gravitationally stable, though conditions may be conducive to local gravitational instabilities at the largest radii. Such instabilities could lead to the formation of star-forming gas clumps in the disk, resulting eventually in a small central bulge or bar.

Femtosecond electron diffraction and spectroscopic studies of a solid state organic chemical reaction

NASA Astrophysics Data System (ADS)

Jean-Ruel, Hubert

Photochromic diarylethene molecules are excellent model systems for studying electrocyclic reactions, in addition to having important technological applications in optoelectronics. The photoinduced ring-closing reaction in a crystalline photochromic diarylethene derivative was fully resolved using the complementary techniques of transient absorption spectroscopy and femtosecond electron crystallography. These studies are detailed in this thesis, together with the associated technical developments which enabled them. Importantly, the time-resolved crystallographic investigation reported here represents a highly significant proof-of-principle experiment. It constitutes the first study directly probing the molecular structural changes associated with an organic chemical reaction with sub-picosecond temporal and atomic spatial resolution---to follow the primary motions directing chemistry. In terms of technological development, the most important advance reported is the implementation of a radio frequency rebunching system capable of producing femtosecond electron pulses of exceptional brightness. The temporal resolution of this newly developed electron source was fully characterized using laser ponderomotive scattering, confirming a 435 +/- 75 fs instrument response time with 0.20 pC bunches. The ultrafast spectroscopic and crystallographic measurements were both achieved by exploiting the photoreversibility of diarylethene. The transient absorption study was first performed, after developing a novel robust acquisition scheme for thermally irreversible reactions in the solid state. It revealed the formation of an open-ring excited state intermediate, following photoexcitation of the open-ring isomer with an ultraviolet laser pulse, with a time constant of approximately 200 fs. The actual ring closing was found to occur from this intermediate with a time constant of 5.3 +/- 0.3 ps. The femtosecond diffraction measurements were then performed using multiple crystal orientations and a large number of different samples. To analyse the results, an innovative method was developed in which the apparently complex ring-closing reaction is distilled down to a small number of basic rotations. Immediately following photoexcitation, sub-picosecond structural changes associated with the formation of the intermediate are observed. The rotation of the thiophene rings is identified as the key motion. Subsequently, on the few picosecond time scale, the time-resolved diffraction patterns are observed to converge towards those associated with the closed-ring photoproduct. The formation of the closed-ring molecule is thus unambiguously witnessed.

Examination of Rotating Spoke Instability in a Cross-Field Discharge

DTIC Science & Technology

2013-07-08

leader), L. Balika, J. Vaudolon EMAU R. Schneider, K. Matyash PPPL Y. Raitses, A. Diallo, Y. Shi Distribution A: Approved for public...the spoke. The project was originally divided into three successive phases, namely: Phase 1: Time-averaged LIF study on the CHT at PPPL Phase 2...Time-resolved LIF study on the CHT at ICARE Phase 3: Time-resolved LIF study on a 2 kW HT at PPPL (Optional) Distribution A: Approved for public

Rovibronically selected and resolved two-color laser photoionization and photoelectron study of cobalt carbide cation.

PubMed

Huang, Huang; Chang, Yih Chung; Luo, Zhihong; Shi, Xiaoyu; Lam, Chow-Shing; Lau, Kai-Chung; Ng, C Y

2013-03-07

We have conducted a two-color visible-ultraviolet (VIS-UV) resonance-enhanced laser photoionization efficiency and pulsed field ionization-photoelectron (PFI-PE) study of gaseous cobalt carbide (CoC) near its ionization onset in the total energy range of 61,200-64,510 cm(-1). The cold gaseous CoC sample was prepared by a laser ablation supersonically cooled beam source. By exciting CoC molecules thus generated to single N' rotational levels of the intermediate CoC∗((2)Σ(+); v') state using a VIS dye laser prior to UV laser photoionization, we have obtained N(+) rotationally resolved PFI-PE spectra for the CoC(+)(X(1)Σ(+); v(+) = 0 and 1) ion vibrational bands free from interference by impurity species except Co atoms produced in the ablation source. The rotationally selected and resolved PFI-PE spectra have made possible unambiguous rotational assignments, yielding accurate values for the adiabatic ionization energy of CoC(X(2)Σ(+)), IE(CoC) = 62,384.3 ± 0.6 cm(-1) (7.73467 ± 0.00007 eV), the vibrational frequency ωe (+) = 985.6 ± 0.6 cm(-1), the anharmonicity constant ωe (+)χe (+) = 6.3 ± 0.6 cm(-1), the rotational constants (Be (+) = 0.7196 ± 0.0005 cm(-1), αe (+) = 0.0056 ± 0.0008 cm(-1)), and the equilibrium bond length re (+) = 1.534 Å for CoC(+)(X(1)Σ(+)). The observation of the N(+) = 0 level in the PFI-PE measurement indicates that the CoC(+) ground state is of (1)Σ(+) symmetry. Large ΔN(+) = N(+) - N' changes up to 6 are observed for the photoionization transitions CoC(+)(X(1)Σ(+); v(+) = 0-2; N(+)) ← CoC∗((2)Σ(+); v'; N' = 6, 7, 8, and 9). The highly precise energetic and spectroscopic data obtained in the present study have served as a benchmark for testing theoretical predictions based on state-of-the-art ab initio quantum calculations at the CCSDTQ∕CBS level of theory as presented in the companion article.

Galvanic vestibular stimulation combines with Earth-horizontal rotation in roll to induce the illusion of translation.

PubMed

Schneider, Erich; Bartl, Klaus; Glasauer, Stefan

2009-05-01

Human head rotation in roll around an earth-horizontal axis constitutes a vestibular stimulus that, by its rotational component, acts on the semicircular canals (SCC) and that, by its tilt of the gravity vector, also acts on the otoliths. Galvanic vestibular stimulation (GVS) is thought to resemble mainly a rotation in roll. A superposition of sinusoidal GVS with a natural earth-horizontal roll movement was therefore applied in order to cancel the rotation effects and to isolate the otolith activation. By self-adjusting the amplitude and phase of GVS, subjects were able to minimize their sensation of rotation and to generate the perception of a linear translation. The final adjustments are in the range of a model that predicts SCC activation during natural rotations and GVS. This indicates that the tilt-translation ambiguity of the otoliths is resolved by SCC-otolith interaction. It is concluded that GVS might be able to cancel rotations in roll and that the residual tilt of the gravitoinertial force is possibly interpreted as a linear translation.

Femtosecond/picosecond time-resolved fluorescence study of hydrophilic polymer fine particles.

PubMed

Nanjo, Daisuke; Hosoi, Haruko; Fujino, Tatsuya; Tahara, Tahei; Korenaga, Takashi

2007-03-22

Femtosecond/picosecond time-resolved fluorescence study of hydrophilic polymer fine particles (polyacrylamide, PAAm) was reported. Ultrafast fluorescence dynamics of polymer/water solution was monitored using a fluorescent probe molecule (C153). In the femtosecond time-resolved fluorescence measurement at 480 nm, slowly decay components having lifetimes of tau(1) approximately 53 ps and tau(2) approximately 5 ns were observed in addition to rapid fluorescence decay. Picosecond time-resolved fluorescence spectra of C153/PAAm/H2O solution were also measured. In the time-resolved fluorescence spectra of C153/PAAm/H2O, a peak shift from 490 to 515 nm was measured, which can be assigned to the solvation dynamics of polymer fine particles. The fluorescence peak shift was related to the solvation response function and two time constants were determined (tau(3) approximately 50 ps and tau(4) approximately 467 ps). Therefore, the tau(1) component observed in the femtosecond time-resolved fluorescence measurement was assigned to the solvation dynamics that was observed only in the presence of polymer fine particles. Rotational diffusion measurements were also carried out on the basis of the picosecond time-resolved fluorescence spectra. In the C153/PAAm/H2O solution, anisotropy decay having two different time constants was also derived (tau(6) approximately 76 ps and tau(7) approximately 676 ps), indicating the presence of two different microscopic molecular environments around the polymer surface. Using the Stokes-Einstein-Debye (SED) equation, microscopic viscosity around the polymer surface was evaluated. For the area that gave a rotational diffusion time of tau(6) approximately 76 ps, the calculated viscosity is approximately 1.1 cP and for tau(7) approximately 676 ps, it is approximately 10 cP. The calculated viscosity values clearly revealed that there are two different molecular environments around the polyacrylamide fine particles.

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

Triana, S. A.; Moravveji, E.; Pápics, P. I.

The internal angular momentum distribution of a star is the key to determining its evolution. Fortunately, stellar internal rotation can be probed through studies of rotationally split nonradial oscillation modes. In particular, the detection of nonradial gravity modes (g modes) in massive young stars has recently become feasible thanks to the Kepler space mission. Our goal is to derive the internal rotation profile of the Kepler B8V star KIC 10526294 through asteroseismology. We interpret the observed rotational splittings of its dipole g modes using four different approaches based on the best seismic models of the star and their rotational kernels.more » We show that these kernels can resolve differential rotation within the radiative envelope if a smooth rotational profile is assumed and if the observational errors are small. Based on Kepler data, we find that the rotation rate near the core-envelope boundary is well constrained to 163 ± 89 nHz. The seismic data are consistent with rigid rotation but a profile with counter-rotation within the envelope has a statistical advantage over constant rotation. Our study should be repeated for other massive stars with a variety of stellar parameters in order to determine the physical conditions that control the internal rotation profile of young massive stars, with the aim of improving the input physics of their models.« less

The pure rotational spectrum of TiF (X 4Φr): 3d transition metal fluorides revisited

NASA Astrophysics Data System (ADS)

Sheridan, P. M.; McLamarrah, S. K.; Ziurys, L. M.

2003-11-01

The pure rotational spectrum of TiF in its X 4Φr (v=0) ground state has been measured using millimeter/sub-millimeter wave direct absorption techniques in the range 140-530 GHz. In ten out of the twelve rotational transitions recorded, all four spin-orbit components were observed, confirming the 4Φr ground state assignment. Additional small splittings were resolved in several of the spin components in lower J transitions, which appear to arise from magnetic hyperfine interactions of the 19F nucleus. In contrast, no evidence for Λ-doubling was seen in the data. The rotational transitions of TiF were analyzed using a case (a) Hamiltonian, resulting in the determination of rotational and fine structure constants, as well as hyperfine parameters for the fluorine nucleus. The data were readily fit in a case (a) basis, indicating strong first order spin-orbit coupling and minimal second-order effects, as also evidenced by the small value of λ, the spin-spin parameter. Moreover, only one higher order term, η, the spin-orbit/spin-spin interaction term, was needed in the analysis, again suggesting limited perturbations in the ground state. The relative values of the a, b, and c hyperfine constants indicate that the three unpaired electrons in this radical lie in orbitals primarily located on the titanium atom and support the molecular orbital picture of TiF with a σ1δ1π1 single electron configuration. The bond length of TiF (1.8342 Å) is significantly longer than that of TiO, suggesting that there are differences in the bonding between 3d transition metal fluorides and oxides.

3D coherent X-ray diffractive imaging of an Individual colloidal crystal grain

NASA Astrophysics Data System (ADS)

Shabalin, A.; Meijer, J.-M.; Sprung, M.; Petukhov, A. V.; Vartanyants, I. A.

Self-assembled colloidal crystals represent an important model system to study nucleation phenomena and solid-solid phase transitions. They are attractive for applications in photonics and sensorics. We present results of a coherent x-ray diffractive imaging experiment performed on a single colloidal crystal grain. The full three-dimensional (3D) reciprocal space map measured by an azimuthal rotational scan contained several orders of Bragg reflections together with the coherent interference signal between them. Applying the iterative phase retrieval approach, the 3D structure of the crystal grain was reconstructed and positions of individual colloidal particles were resolved. We identified an exact stacking sequence of hexagonal close-packed layers including planar and linear defects. Our results open up a breakthrough in applications of coherent x-ray diffraction for visualization of the inner 3D structure of different mesoscopic materials, such as photonic crystals. Present address: University of California - San Diego, USA.

Fluorine substitution and nonconventional OH...pi intramolecular bond: high-resolution UV spectroscopy and ab initio calculations of 2-(p-fluorophenyl)ethanol.

PubMed

Karaminkov, Rosen; Chervenkov, Sotir; Neusser, Hans J

2008-05-21

The para-fluorinated flexible neurotransmitter analogue 2-phenylethanol has been investigated by highly resolved resonance-enhanced two-photon ionisation two-colour UV laser spectroscopy with mass resolution and ab initio structural optimisations and energy calculations. Two stable conformations, gauche and anti, separated by a high potential barrier have been identified in the cold molecular beam by rotational analysis of the vibronic band structures. The theoretically predicted higher-lying conformations most likely relax to these two structures during the adiabatic expansion. The lowest-energy gauche conformer is stabilised by an intramolecular nonconventional OH...pi-type hydrogen bond between the terminal OH group of the side chain and the pi electrons of the phenyl ring. The good agreement between the experimental and theoretical results demonstrates that even the substitution with a strongly electronegative atom of 2-phenylethanol at the para position has no noticeable effect on the strength and orientation of the OH...pi bond.

Intramolecular structure and dynamics of mequinol and guaiacol in the gas phase: Rotationally resolved electronic spectra of their S{sub 1} states

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

Ruiz-Santoyo, José Arturo; Rodríguez-Matus, Marcela; Álvarez-Valtierra, Leonardo, E-mail: leoav@fisica.ugto.mx, E-mail: gmerino@mda.cinvestav.mx

2015-09-07

The molecular structures of guaiacol (2-methoxyphenol) and mequinol (4-methoxyphenol) have been studied using high resolution electronic spectroscopy in a molecular beam and contrasted with ab initio computations. Mequinol exhibits two low frequency bands that have been assigned to electronic origins of two possible conformers of the molecule, trans and cis. Guaiacol also shows low frequency bands, but in this case, the bands have been assigned to the electronic origin and vibrational modes of a single conformer of the isolated molecule. A detailed study of these bands indicates that guaiacol has a vibrationally averaged planar structure in the ground state, butmore » it is distorted along both in-plane and out-of-plane coordinates in the first electronically excited state. An intramolecular hydrogen bond involving the adjacent   –OH and   –OCH{sub 3} groups plays a major role in these dynamics.« less

Optics of short-pitch deformed-helix ferroelectric liquid crystals: Symmetries, exceptional points, and polarization-resolved angular patterns

NASA Astrophysics Data System (ADS)

Kiselev, Alexei D.; Chigrinov, Vladimir G.

2014-10-01

In order to explore electric-field-induced transformations of polarization singularities in the polarization-resolved angular (conoscopic) patterns emerging after deformed-helix ferroelectric liquid crystal (DHFLC) cells with subwavelength helix pitch, we combine the transfer matrix formalism with the results for the effective dielectric tensor of biaxial FLCs evaluated using an improved technique of averaging over distorted helical structures. Within the framework of the transfer matrix method, we deduce a number of symmetry relations and show that the symmetry axis of L lines (curves of linear polarization) is directed along the major in-plane optical axis which rotates under the action of the electric field. When the angle between this axis and the polarization plane of incident linearly polarized light is above its critical value, the C points (points of circular polarization) appear in the form of symmetrically arranged chains of densely packed star-monstar pairs. We also emphasize the role of phase singularities of a different kind and discuss the enhanced electro-optic response of DHFLCs near the exceptional point where the condition of zero-field isotropy is fulfilled.

Sizing protein-templated gold nanoclusters by time resolved fluorescence anisotropy decay measurements.

PubMed

Soleilhac, Antonin; Bertorelle, Franck; Antoine, Rodolphe

2018-03-15

Protein-templated gold nanoclusters (AuNCs) are very attractive due to their unique fluorescence properties. A major problem however may arise due to protein structure changes upon the nucleation of an AuNC within the protein for any future use as in vivo probes, for instance. In this work, we propose a simple and reliable fluorescence based technique measuring the hydrodynamic size of protein-templated gold nanoclusters. This technique uses the relation between the time resolved fluorescence anisotropy decay and the hydrodynamic volume, through the rotational correlation time. We determine the molecular size of protein-directed AuNCs, with protein templates of increasing sizes, e.g. insulin, lysozyme, and bovine serum albumin (BSA). The comparison of sizes obtained by other techniques (e.g. dynamic light scattering and small-angle X-ray scattering) between bare and gold clusters containing proteins allows us to address the volume changes induced either by conformational changes (for BSA) or the formation of protein dimers (for insulin and lysozyme) during cluster formation and incorporation. Copyright © 2017 Elsevier B.V. All rights reserved.

Penrose process, superradiance, and ergoregion instabilities

NASA Astrophysics Data System (ADS)

Vicente, Rodrigo; Cardoso, Vitor; Lopes, Jorge C.

2018-04-01

Superradiant scattering is a radiation enhancement process that takes place in many contexts, and which has recently found exciting applications in astrophysics and particle physics. In the framework of curved spacetime physics, it has been associated with the classical Penrose process for particles. Superradiance is usually also associated with bosonic fields around geometries with ergoregions and horizons. These notions are in clear tension however: the Penrose process occurs for horizonless geometries, and particles are composed of fermions. Here, we resolve the tension in its different aspects, by showing that (i) superradiance occurs for self-interacting fermions on flat spacetime. (ii) Superradiance occurs also for horizonless geometries, where it leads to an ergoregion instability. Ultracompact, horizonless geometries will usually respond with echoes of growing amplitude, until rotational (or electrostatic) energy is extracted from the object. (iii) The Fourier-domain analysis leads to absence of superradiance when horizons are not present. We elucidate why this analysis fails to give meaningful results. (iv) Finally, we show that superradiant, ergoregion instabilities have a particle analog of similar growth timescales and which can power the formation of a structure outside a compact, rotating star.

Probing Buffer-Gas Cooled Molecules with Direct Frequency Comb Spectroscopy in the Mid-Infrrared

NASA Astrophysics Data System (ADS)

Spaun, Ben; Changala, Bryan; Bjork, Bryce J.; Heckl, Oliver H.; Patterson, David; Doyle, John M.; Ye, Jun

2015-06-01

We present the first demonstration of cavity-enhanced direct frequency comb spectroscopy on buffer-gas cooled molecules.By coupling a mid-infrared frequency comb to a high-finesse cavity surrounding a helium buffer-gas chamber, we can gather rotationally resolved absorption spectra with high sensitivity over a broad wavelength region. The measured ˜10 K rotational and translational temperatures of buffer-gas cooled molecules drastically simplify the observed spectra, compared to those of room temperature molecules, and allow for high spectral resolution limited only by Doppler broadening (10-100 MHz). Our system allows for the extension of high-resolution spectroscopy to larger molecules, enabling detailed analysis of molecular structure and dynamics, while taking full advantage of the powerful optical properties of frequency combs. A. Foltynowicz et al. Cavity-enhanced optical frequency comb spectroscopy in the mid-infrared application to trace detection of hydrogen peroxide. Applied Physics B, vol. 110, pp. 163-175, 2013. {D. Patterson and J. M. Doyle. Cooling molecules in a cell for FTMW spectroscopy. Molecular Physics 110, 1757-1766, 2012

Rotational energy transfer of SH(X2Π, v''=0, J''=0.5-10.5) by collision with Ar: Λ-doublet resolved transition propensity.

PubMed

Tsai, Po-Yu; Lin, King-Chuen

2012-01-16

The behavior of Λ-doublet resolved rotational energy transfer (RET) by Ar collisions within the SH(X(2)Π, v''=0) state is characterized. The matrix elements of terms in the interaction potential responsible for interference effects are calculated to explain the propensity rules for collision-induced transitions within and between spin-orbit manifolds. In this manner, the physical mechanisms responsible for the F(1)-F(1), F(2)-F(2), and F(1)-F(2) transitions may be reasonably identified. As collision energy increases, the propensity for collisional population of the final e or f level is replaced by the e/f-conserving propensity. Such a change in propensity rule can be predicted in terms of energy sudden approximation at high J limit for the pure Hund's case scheme. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Colloidal suspensions in external rotating electric field: experimental studies and prospective applications in physics, material science, and biomedicine

NASA Astrophysics Data System (ADS)

Yakovlev, Egor V.; Troshina, Anna V.; Korsakova, Sofia A.; Andronik, Mikhail; Rodionov, Ilya A.; Aliev, Ismail N.; Zaytsev, Kirill I.; Cherkasova, Olga P.; Tuchin, Valery V.; Yurchenko, Stanislav O.

2018-04-01

Colloidal suspensions and tunable self-assembly of colloidal particles attract a great interest in recent years. In this paper, we propose a new setup and technology for studies of self-assembly of colloidal particles, interection of which between themselves is tuned by external rotating electric fields. We reveal wide prospectives of electric field employment for tunable self-assembly, from suspensions of inorganic particles to ensembles of biological cells. These results make enable particle-resolved studies of various collective phenomena and fundamental processes in many-particle systems in equilibrium state and far from it, while the dynamics can be resolved at the level of individual particles using video microscopy. For the first time, we demonstrate that, apart from ability to prepare photonic crystalline films of inorganic silica particles, the tunable self-assembly provides a novel technological way for manipulation with ensembles of biological cells by control of interactions between them.

Nonlinear two-dimensional terahertz photon echo and rotational spectroscopy in the gas phase.

PubMed

Lu, Jian; Zhang, Yaqing; Hwang, Harold Y; Ofori-Okai, Benjamin K; Fleischer, Sharly; Nelson, Keith A

2016-10-18

Ultrafast 2D spectroscopy uses correlated multiple light-matter interactions for retrieving dynamic features that may otherwise be hidden under the linear spectrum; its extension to the terahertz regime of the electromagnetic spectrum, where a rich variety of material degrees of freedom reside, remains an experimental challenge. We report a demonstration of ultrafast 2D terahertz spectroscopy of gas-phase molecular rotors at room temperature. Using time-delayed terahertz pulse pairs, we observe photon echoes and other nonlinear signals resulting from molecular dipole orientation induced by multiple terahertz field-dipole interactions. The nonlinear time domain orientation signals are mapped into the frequency domain in 2D rotational spectra that reveal J-state-resolved nonlinear rotational dynamics. The approach enables direct observation of correlated rotational transitions and may reveal rotational coupling and relaxation pathways in the ground electronic and vibrational state.

Simultaneous detection of rotational and translational motion in optical tweezers by measurement of backscattered intensity.

PubMed

Roy, Basudev; Bera, Sudipta K; Banerjee, Ayan

2014-06-01

We describe a simple yet powerful technique of simultaneously measuring both translational and rotational motion of mesoscopic particles in optical tweezers by measuring the backscattered intensity on a quadrant photodiode (QPD). While the measurement of translational motion by taking the difference of the backscattered intensity incident on adjacent quadrants of a QPD is well known, we demonstrate that rotational motion can be measured very precisely by taking the difference between the diagonal quadrants. The latter measurement eliminates the translational component entirely and leads to a detection sensitivity of around 50 mdeg at S/N of 2 for angular motion of a driven microrod. The technique is also able to resolve the translational and rotational Brownian motion components of the microrod in an unperturbed trap and can be very useful in measuring translation-rotation coupling of micro-objects induced by hydrodynamic interactions.

Angular distributions for the inelastic scattering of NO(X2Π ) with O2(X3Σg-)

NASA Astrophysics Data System (ADS)

Brouard, M.; Gordon, S. D. S.; Nichols, B.; Squires, E.; Walpole, V.; Aoiz, F. J.; Stolte, S.

2017-05-01

The inelastic scattering of NO(X2Π ) by O2(X3Σg-) was studied at a mean collision energy of 550 cm-1 using velocity-map ion imaging. The initial quantum state of the NO(X2Π , v = 0, j = 0.5, Ω =0.5 , 𝜖 = -1 , f) molecule was selected using a hexapole electric field, and specific Λ-doublet levels of scattered NO were probed using (1 +1' ) resonantly enhanced multiphoton ionization. A modified "onion-peeling" algorithm was employed to extract angular scattering information from the series of "pancaked," nested Newton spheres arising as a consequence of the rotational excitation of the molecular oxygen collision partner. The extracted differential cross sections for NO(X) f →f and f →e Λ-doublet resolved, spin-orbit conserving transitions, partially resolved in the oxygen co-product rotational quantum state, are reported, along with O2 fragment pair-correlated rotational state population. The inelastic scattering of NO with O2 is shown to share many similarities with the scattering of NO(X) with the rare gases. However, subtle differences in the angular distributions between the two collision partners are observed.

Point Defects and Grain Boundaries in Rotationally Commensurate MoS 2 on Epitaxial Graphene

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

Liu, Xiaolong; Balla, Itamar; Bergeron, Hadallia

2016-03-28

With reduced degrees of freedom, structural defects are expected to play a greater role in two-dimensional materials in comparison to their bulk counterparts. In particular, mechanical strength, electronic properties, and chemical reactivity are strongly affected by crystal imperfections in the atomically thin limit. Here, ultrahigh vacuum (UHV) scanning tunneling microscopy (STM) and spectroscopy (STS) are employed to interrogate point and line defects in monolayer MoS2 grown on epitaxial graphene (EG) at the atomic scale. Five types of point defects are observed with the majority species showing apparent structures that are consistent with vacancy and interstitial models. The total defect densitymore » is observed to be lower than MoS2 grown on other substrates and is likely attributed to the van der Waals epitaxy of MoS2 on EG. Grain boundaries (GBs) with 30° and 60° tilt angles resulting from the rotational commensurability of MoS2 on EG are more easily resolved by STM than atomic force microscopy at similar scales due to the enhanced contrast from their distinct electronic states. For example, band gap reduction to ~0.8 and ~0.5 eV is observed with STS for 30° and 60° GBs, respectively. In addition, atomic resolution STM images of these GBs are found to agree well with proposed structure models. This work offers quantitative insight into the structure and properties of common defects in MoS2 and suggests pathways for tailoring the performance of MoS2/graphene heterostructures via defect engineering.« less

Accurate ab initio dipole moment surfaces of ozone: First principle intensity predictions for rotationally resolved spectra in a large range of overtone and combination bands.

PubMed

Tyuterev, Vladimir G; Kochanov, Roman V; Tashkun, Sergey A

2017-02-14

Ab initio dipole moment surfaces (DMSs) of the ozone molecule are computed using the MRCI-SD method with AVQZ, AV5Z, and VQZ-F12 basis sets on a dense grid of about 1950 geometrical configurations. The analytical DMS representation used for the fit of ab initio points provides better behavior for large nuclear displacements than that of previous studies. Various DMS models were derived and tested. Vibration-rotation line intensities of 16 O 3 were calculated from these ab initio surfaces by the variational method using two different potential functions determined in our previous works. For the first time, a very good agreement of first principle calculations with the experiment was obtained for the line-by-line intensities in rotationally resolved ozone spectra in a large far- and mid-infrared range. This includes high overtone and combination bands up to ΔV = 6. A particular challenge was a correct description of the B-type bands (even ΔV 3 values) that represented major difficulties for the previous ab initio investigations and for the empirical spectroscopic models. The major patterns of various B-type bands were correctly described without empirically adjusted dipole moment parameters. For the 10 μm range, which is of key importance for the atmospheric ozone retrievals, our ab initio intensity results are within the experimental error margins. The theoretical values for the strongest lines of the ν 3 band lie in general between two successive versions of HITRAN (HIgh-resolution molecular TRANsmission) empirical database that corresponded to most extended available sets of observations. The overall qualitative agreement in a large wavenumber range for rotationally resolved cold and hot ozone bands up to about 6000 cm -1 is achieved here for the first time. These calculations reveal that several weak bands are yet missing from available spectroscopic databases.

The Ordering and Electronic Structure of Multilayer Epitaxial Graphene on SiC

NASA Astrophysics Data System (ADS)

Conrad, Edward

2011-03-01

The structural definition of graphene as a single sheet of hexagonal carbon limits how we view this material. It is the electronic properties of a single isolated graphene sheet that actually defines and motivates current graphene research. Remarkably, the best example of the idealized band structure of graphene comes does not come from a single graphene layer but from multilayer films grown on SiC. Multilayer epitaxial graphene (MEG) not only shows all the 2D properties expected for an isolated graphene sheet, but it the scalability to large scale integrated carbon circuits. I will show that the reason for this remarkable property, i.e. that a multilayer graphene films behaving like a single graphene sheet, is due to MEG's unique stacking. MEG films have a quasi-ordered rotational stacking that breaks the Bernal stacking symmetry associated with graphite. Angle resolved photoemission spectroscopy (ARPES) data demonstrates that the bands are linear at the K-point of these films. We can also show that the rotated stacking is highly ordered and that less than 20% of the graphene sheets in the film are Bernal stacked. I will also show that ARPES measurements on MEG films demonstrate serious inadequacies with both tight binding and ab initio formalisms. In particular the data shows no reductions in the Fermi velocity or the formation of Van Hove singularity that have been consistently predicted for this material. I wish to acknowledge funding from the NSF under Grants No. DMR-0820382 and DMR-1005880.

THE RADIO CONTINUUM STRUCTURE OF CENTAURUS A AT 1.4 GHz

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

Feain, I. J.; Cornwell, T. J.; Ekers, R. D.

2011-10-10

A 45 deg{sup 2} radio continuum imaging campaign of the nearest radio galaxy, Centaurus A, is reported. Using the Australia Telescope Compact Array and the Parkes 64 m radio telescope at 1.4 GHz, the spatial resolution of the resultant image is {approx}600 pc ({approx}50''), resolving the {approx}>500 kpc giant radio lobes with approximately five times better physical resolution compared to any previous image, and making this the most detailed radio continuum image of any radio galaxy to date. In this paper, we present these new data and discuss briefly some of the most interesting morphological features that we have discoveredmore » in the images. The two giant outer lobes are highly structured and considerably distinct. The southern part of the giant northern lobe naturally extends out from the northern middle lobe with uniformly north-streaming emission. The well known northern loop is resolved into a series of semi-regular shells with a spacing of approximately 25 kpc. The northern part of the giant northern lobe also contains identifiable filaments and partial ring structures. As seen in previous single-dish images at lower angular resolution, the giant southern lobe is not physically connected to the core at radio wavelengths. Almost the entirety of the giant southern lobe is resolved into a largely chaotic and mottled structure which appears considerably different (morphologically) to the diffuse regularity of the northern lobe. We report the discovery of a vertex and a vortex near the western boundary of the southern lobe, two striking, high surface brightness features that are named based on their morphology and not their dynamics (which are presently unknown). The vortex and vertex are modeled as reaccelerated lobe emission due to shocks from the active galactic nucleus itself or from the passage of a dwarf elliptical galaxy through the lobe. Preliminary polarimetric and spectral index studies support a plasma reacceleration model and could explain the origin of the Faraday rotation structure detected in the southern lobe. In addition, there are a series of low surface brightness wisps detected around the edges of both the giant lobes.« less

Rates and timing of vertical-axis block rotations across the Sierra Nevada-Walker Lane transition in the Bodie Hills

NASA Astrophysics Data System (ADS)

Rood, D. H.; Herman, S.; Burbank, D.; Bogue, S.

2008-12-01

We use paleomagnetic data from Tertiary volcanic rocks to address the rates and timing of vertical-axis block rotation across the Sierra Nevada-Walker Lane transition in the Bodie Hills, California/Nevada. In zones of continental deformation, block rotations are an important mechanism for permanent stain accommodation, and thus may be crucial to testing geodetic block models and resolving geologic-geodetic slip discrepancies. In our study, data included in the paleomagetic site means are high quality AF demagnetization results (least squared fits that generally include 5-7 points with MAD values less than 1). Thermal demagnetization results match the AF directions, and both thermal demag and rockmag results indicate strong ChRM, mostly carried by single domain magnetite. The site means used to calculate the VGPs all have a95 values less than 10 (mostly 2-5) and include 6-11 sites each. Each site (and thus site mean) has a reasonably well-known structural correction. The VGP scatter values range from 12 to 16 degrees, indicating that they include appropriate secular variation. The mean declinations and 95 percent confidence limits for each VGP timeslice are statistically distinct from one another (71 ± 9, 39 ± 13, and 11 ± 11 degrees). The slope of a linear regression fit to the age versus declination data gives a rate of vertical axis block rotation of approximately 3-4 degrees/Myr. Fitting two separate lines to the age vs. declination data would indicate an increase in the rates of rotation since ~10 Ma. Two possible interpretations of the data are: (1) the rotations began during or before the Middle Miocene, or (2) rates of rotation were high initially (e.g. ~10 Ma) and decelerated until the Pliocene. These data have implications for the (1) timing and spatial extent of distributed strain accumulation related to the initiation of the San Andreas Fault-Eastern California Shear Zone-Walker Lane transform plate boundary, (2) transfer of transform plate boundary deformation into the maturing Walker Lane, and (3) the initiation of transtensional block rotations and bounding fault systems.

The high-resolution infrared spectrum of the ν3 +ν5 combination band of jet-cooled propyne

NASA Astrophysics Data System (ADS)

Doney, K. D.; Zhao, D.; Bouwman, J.; Linnartz, H.

2017-09-01

We present the first detection of the high-resolution ro-vibrational spectrum of the ν3 +ν5 combination band of propyne around 3070 cm-1. The fully resolved spectrum is recorded for supersonically jet-cooled propyne using continuous wave cavity ring-down spectroscopy (cw-CRDS). The assignments are supported with the help of accurate ab initio vibration-rotation interaction constants (αi) and anharmonic frequencies. A detailed analysis of the rotationally cold spectrum is given.

Ultrafast optical excitation of magnetic skyrmions

NASA Astrophysics Data System (ADS)

Ogawa, N.; Seki, S.; Tokura, Y.

2015-04-01

Magnetic skyrmions in an insulating chiral magnet Cu2OSeO3 were studied by all-optical spin wave spectroscopy. The spins in the conical and skyrmion phases were excited by the impulsive magnetic field from the inverse-Faraday effect, and resultant spin dynamics were detected by using time-resolved magneto-optics. Clear dispersions of the helimagnon were observed, which is accompanied by a distinct transition into the skyrmion phase, by sweeping temperature and magnetic field. In addition to the collective excitations of skyrmions, i.e., rotation and breathing modes, several spin precession modes were identified, which would be specific to optical excitation. The ultrafast, nonthermal, and local excitation of the spin systems by photons would lead to the efficient manipulation of nano-magnetic structures.

Spectroscopic Constants of the Known Electronic States of Lead Monofluoride

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

McRaven, C.P.; Sivakumar, P.; Shafer-Ray, N.E.

2010-08-01

Based on measurements made by mass-resolved 1 + 1{prime} + 1{double_prime} resonance-enhanced multiphoton ionization spectroscopy, we have determined new molecular constants describing the rotational and fine structure levels of the B, D, E, and F states of the most abundant isotopic variant {sup 208}Pb{sup 19}F, and we summarize the spectroscopic constants for all the know electronic states of the radical. Many spectroscopic constants for the isotopologues {sup 206}Pb{sup 19}F and {sup 207}Pb{sup 19}F have also been determined. The symmetry of the D-state is found to be {sup 2}{pi}{sub 1/2}, and the F-state is found to be an {Omega} = 3/2more » state.« less

NICER Packaging for SpaceX CRS-11

NASA Image and Video Library

2017-04-06

Inside the Space Station Processing Facility high bay at NASA's Kennedy Space Center in Florida, technicians assist as a crane is used to lift the Neutron star Interior Composition Explorer, or NICER, payload up from its carrier. NICER will be delivered to the International Space Station aboard the SpaceX Dragon cargo carrier on the company’s 11th commercial resupply services mission to the space station. NICER will study neutron stars through soft X-ray timing. NICER will enable rotation-resolved spectroscopy of the thermal and non-thermal emissions of neutron stars in the soft X-ray band with unprecedented sensitivity, probing interior structure, the origins of dynamic phenomena and the mechanisms that underlie the most powerful cosmic particle accelerators known.

NICER Transfer (for SpaceX CRS-11)

NASA Image and Video Library

2017-04-12

Inside the Space Station Processing Facility high bay at NASA's Kennedy Space Center in Florida, the Neutron star Interior Composition Explorer, or NICER, payload is secured inside a protective container and loaded onto a truck outside the high bay. NICER will be delivered to the International Space Station aboard the SpaceX Dragon cargo carrier on the company’s 11th commercial resupply services mission to the space station. NICER will study neutron stars through soft X-ray timing. NICER will enable rotation-resolved spectroscopy of the thermal and non-thermal emissions of neutron stars in the soft X-ray band with unprecedented sensitivity, probing interior structure, the origins of dynamic phenomena and the mechanisms that underlie the most powerful cosmic particle accelerators known.

Analysis/test correlation using VAWT-SDS on a step-relaxation test for the rotating Sandia 34 m test bed

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

Argueello, J.G.; Dohrmann, C.R.; Carne, T.G.

The combined analysis/test effort described in this paper compares predictions with measured data from a step-relaxation test in the absence of significant wind-driven aerodynamic loading. The process described here is intended to illustrate a method for validation of time domain codes for structural analysis of wind turbine structures. Preliminary analyses were performed to investigate the transient dynamic response that the rotating Sandia 34 m Vertical Axis Wind Turbine (VAWT) would undergo when one of the two blades was excited by step-relaxation. The calculations served two purposes. The first was for pretest planning to evaluate the relative importance of the variousmore » forces that would be acting on the structure during the test and to determine if the applied force in the step-relaxation would be sufficient to produce an excitation that was distinguishable from that produced by the aerodynamic loads. The second was to provide predictions that could subsequently be compared to the data from the test. The test was carried out specifically to help in the validation of the time-domain structural dynamics code, VAWT-SDS, which predicts the dynamic response of VAWTs subject to transient events. Post-test comparisons with the data were performed and showed a qualitative agreement between pretest predictions and measured response. However, they also showed that there was significantly more damping in the measurements than included in the predictions. Efforts to resolve this difference, including post-test analyses, were undertaken and are reported herein. The overall effort described in this paper represents a major step in the process of arriving at a validated structural dynamics code.« less

Combined UHV/high-pressure catalysis setup for depth-resolved near-surface spectroscopic characterization and catalytic testing of model catalysts

NASA Astrophysics Data System (ADS)

Mayr, Lukas; Rameshan, Raffael; Klötzer, Bernhard; Penner, Simon; Rameshan, Christoph

2014-05-01

An ultra-high vacuum (UHV) setup for "real" and "inverse" model catalyst preparation, depth-resolved near-surface spectroscopic characterization, and quantification of catalytic activity and selectivity under technologically relevant conditions is described. Due to the all-quartz reactor attached directly to the UHV-chamber, transfer of the catalyst for in situ testing without intermediate contact to the ambient is possible. The design of the UHV-compatible re-circulating batch reactor setup allows the study of reaction kinetics under close to technically relevant catalytic conditions up to 1273 K without contact to metallic surfaces except those of the catalyst itself. With the attached differentially pumped exchangeable evaporators and the quartz-microbalance thickness monitoring equipment, a reproducible, versatile, and standardised sample preparation is possible. For three-dimensional near-surface sample characterization, the system is equipped with a hemispherical analyser for X-ray photoelectron spectroscopy (XPS), electron-beam or X-ray-excited Auger-electron spectroscopy, and low-energy ion scattering measurements. Due the dedicated geometry of the X-ray gun (54.7°, "magic angle") and the rotatable sample holder, depth analysis by angle-resolved XPS measurements can be performed. Thus, by the combination of characterisation methods with different information depths, a detailed three-dimensional picture of the electronic and geometric structure of the model catalyst can be obtained. To demonstrate the capability of the described system, comparative results for depth-resolved sample characterization and catalytic testing in methanol steam reforming on PdGa and PdZn near-surface intermetallic phases are shown.

Paleomagnetic and geochronologic constraints on the geodynamic evolution of the Central Dinarides

PubMed Central

de Leeuw, Arjan; Mandic, Oleg; Krijgsman, Wout; Kuiper, Klaudia; Hrvatović, Hazim

2012-01-01

The geodynamic evolution of the Dinaride Mountains of southeastern Europe is relatively poorly understood, especially in comparison with the neighboring Alps and Carpathians. Here, we construct a new chronostratigraphy for the post-orogenic intra-montane basins of the Central Dinarides based on paleomagnetic and 40Ar/39Ar age data. A first phase of basin formation occurred in the late Oligocene. A second phase of basin formation took place between 18 and 13 Ma, concurrent with profound extension in the neighboring Pannonian Basin. Our paleomagnetic results further indicate that the Dinarides have not experienced any significant tectonic rotation since the late Oligocene. This implies that the Dinarides were decoupled from the adjacent Adria and the Tisza–Dacia Mega-Units that both underwent major rotation during the Miocene. The Dinaride orogen must consequently have accommodated significant shortening. This is corroborated by our AMS data that indicate post-Middle Miocene shortening in the frontal zone, wrenching in the central part of the orogen, and compression in the hinterland. A review of paleomagnetic data from the Adria plate, which plays a major role in the evolution of the Dinarides as well as the Alps, constrains rotation since the Early Cretaceous to 48 ± 10° counterclockwise and indicates 20° of this rotation took place since the Miocene. It also shows that Adria behaved as an independent plate from the Late Jurassic to the Eocene. From the Eocene onwards, coupling between Adria and Africa was stronger than between Adria and Europe. Adria continued to behave as an independent plate. The amount of rotation within the Adria-Dinarides collision zone increases with age and proximity of the sampled sediments to undeformed Adria. These results significantly improve our insight in the post-orogenic evolution of the Dinarides and resolve an apparent controversy between structural geological and paleomagnetic rotation estimates for the Dinarides as well as Adria. PMID:27065500

Rydberg Spectroscopy of Zeeman-Decelerated Beams of Metastable Helium Molecules

NASA Astrophysics Data System (ADS)

Jansen, Paul; Motsch, Michael; Sprecher, Daniel; Merkt, Frederic

2014-06-01

Having three and four electrons, respectively, He_2^+ and He_2 represent systems for which highly accurate ab-initio calculations might become feasible in the near future. With the goal of performing accurate measurements of the rovibrational energy-level structure of He_2^+ by Rydberg spectroscopy of He_2 and multichannel quantum-defect theory extrapolation techniques, we have produced samples of helium molecules in the a ^3Σu^+ state in supersonic beams with velocities tunable down to 100 m/s by combining a cryogenic supersonic-beam source with a multistage Zeeman decelerator. The molecules are formed at an initial velocity of 500 m/s by striking a discharge in the pulsed expansion of helium gas from a reservoir kept at a cryogenic temperature of 10 K. Using rotationally-resolved PFI-ZEKE (pulsed-field-ionization zero-kinetic-energy) photoelectron spectroscopy, we have probed the rotational-state distribution of the molecules produced in the discharge and found vibrational levels up to ν" = 2 and rotational levels up to N"=21 to be populated. The molecular beam is coupled to a multistage Zeeman decelerator that employs pulsed inhomogeneous magnetic fields to further reduce the beam velocity. By measuring the quantum-state distribution of the decelerated sample using photoelectron and photoionization spectroscopy we observed no rotational or vibrational state-selectivity of the deceleration process, but found that one of the three spin-rotation components of the He_2 a ^3Σu^+ rotational levels is eliminated. W.-C. Tung, M. Pavanello, L. Adamowicz, J. Chem. Phys. 136, 104309 (2012). D. Sprecher, J. Liu, T. Krähenmann, M. Schäfer, and F. Merkt, J. Chem. Phys. 140, 064304 (2014). M. Motsch, P. Jansen, J. A. Agner, H. Schmutz, and F. Merkt, arXiv:1401.7774. N. Vanhaecke, U. Meier, M. Andrist, B. H. Meier, and F. Merkt, Phys. Rev. A 75, 031402(R) (2007).

Rotational Spectrum of 1,1-Difluoroethane: Internal Rotation Analysis and Structure

NASA Astrophysics Data System (ADS)

Villamanan, R. M.; Chen, W. D.; Wlodarczak, G.; Demaison, J.; Lesarri, A. G.; Lopez, J. C.; Alonso, J. L.

1995-05-01

The rotational spectrum of CH3CHF2 in its ground state was measured up to 653 GHz. Accurate rotational and centrifugal distortion constants were determined. The internal rotation splittings were analyzed using the internal axis method. An ab initio structure has been calculated and a near-equilibrium structure has been estimated using offsets derived empirically. This structure was compared to an experimental r0 structure. The four lowest excited states (including the methyl torsion) have also been assigned.

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

Arnold, Jacob A.; Romanowsky, Aaron J.; Brodie, Jean P.

We present stellar kinematics of 22 nearby early-type galaxies (ETGs), based on two-dimensional (2D) absorption line stellar spectroscopy out to ∼2-4 R {sub e} (effective radii), as part of the ongoing SLUGGS Survey. The galaxies span a factor of 20 in intrinsic luminosity, as well as a full range of environment and ETG morphology. Our data consist of good velocity resolution (σ{sub inst} ∼ 25 km s{sup –1}) integrated stellar-light spectra extracted from the individual slitlets of custom made Keck/DEIMOS slitmasks. We extract stellar kinematics measurements (V, σ, h {sub 3}, and h {sub 4}) for each galaxy. Combining withmore » literature values from smaller radii, we present 2D spatially resolved maps of the large-scale kinematic structure in each galaxy. We find that the kinematic homogeneity found inside 1 R {sub e} often breaks down at larger radii, where a variety of kinematic behaviors are observed. While central slow rotators remain slowly rotating in their halos, central fast rotators show more diversity, ranging from rapidly increasing to rapidly declining specific angular momentum profiles in the outer regions. There are indications that the outer trends depend on morphological type, raising questions about the proposed unification of the elliptical and lenticular (S0) galaxy families in the ATLAS{sup 3D} survey. Several galaxies in our sample show multiple lines of evidence for distinct disk components embedded in more slowly rotating spheroids, and we suggest a joint photometric-kinematic approach for robust bulge-disk decomposition. Our observational results appear generally consistent with a picture of two-phase (in-situ plus accretion) galaxy formation.« less

Contributions of different degrees of freedom to thermal transport in the C60 molecular crystal

NASA Astrophysics Data System (ADS)

Kumar, Sushant; Shao, Cheng; Lu, Simon; McGaughey, Alan J. H.

2018-03-01

Three models of the C60 molecular crystal are studied using molecular dynamics simulations to resolve the roles played by intermolecular and intramolecular degrees of freedom (DOF) in its structural, mechanical, and thermal properties at temperatures between 35 and 400 K. In the full DOF model, all DOF are active. In the rigid body model, the intramolecular DOF are frozen, such that only center of mass (COM) translations and molecular rotations/librations are active. In the point mass model, the molecule is replaced by a point mass, such that only COM translations are active. The zero-pressure lattice constants and bulk moduli predicted from the three models fall within ranges of 0.15 and 20%. The thermal conductivity of the point mass model is the largest across the temperature range, showing a crystal-like temperature dependence (i.e., it decreases with increasing temperature) due to the presence of phonon modes associated with the COM translations. The rigid body model thermal conductivity is the smallest and follows two distinct regimes. It is crystal-like at low temperatures and becomes temperature invariant at high temperatures. The latter is typical of the behavior of an amorphous material. By calculating the rotational diffusion coefficient, the transition between the two regimes is found to occur at the temperature where the molecules begin to rotate freely. Above this temperature, phonons related to COM translations are scattered by the rotational DOF. The full DOF model thermal conductivity is larger than that of the rigid body model, indicating that intramolecular DOF contribute to thermal transport.

Dissection of Rovibronic Structure by Polarization-Resolved Two-Color Resonant Four-Wave Mixing Spectroscopy

NASA Astrophysics Data System (ADS)

Murdock, Daniel; Burns, Lori A.; Vaccaro, Patrick H.

2009-08-01

A synergistic theoretical and experimental investigation of stimulated emission pumping (SEP) as implemented in the coherent framework of two-color resonant four-wave mixing (TC-RFWM) spectroscopy is presented, with special emphasis directed toward the identification of polarization geometries that can distinguish spectral features according to their attendant changes in rotational quantum numbers. A vector-recoupling formalism built upon a perturbative treatment of matter-field interactions and a state-multipole expansion of the density operator allowed the weak-field signal intensity to be cast in terms of a TC-RFWM response tensor, RQ(K)(ɛ4*ɛ3ɛ2*ɛ1;Jg,Je,Jh,Jf), which separates the transverse characteristics of the incident and generated electromagnetic waves (ɛ4*ɛ3ɛ2*ɛ1) from the angular momentum properties of the PUMP and DUMP resonances (Jg,Je,Jh,Jf). For an isolated SEP process induced in an isotropic medium, the criteria needed to discriminate against subsets of rovibronic structure were encoded in the roots of a single tensor element, R0(0)(ɛ4*ɛ3ɛ2*ɛ1;Jg,Je,Jh,Je). By assuming all optical fields to be polarized linearly and invoking the limit of high quantum numbers, specific angles of polarization for the detected signal field were found to suppress DUMP resonances selectively according to the nature of their rotational branch and the rotational branch of the meshing PUMP line. These predictions were corroborated by performing SEP measurements on the ground electronic potential energy surface of tropolone in two distinct regimes of vibrational excitation, with the near-ultraviolet Ã1B2-X˜1A1 (π* ← π) absorption system affording the requisite PUMP and DUMP transitions.

Dissection of rovibronic structure by polarization-resolved two-color resonant four-wave mixing spectroscopy.

PubMed

Murdock, Daniel; Burns, Lori A; Vaccaro, Patrick H

2009-11-26

A synergistic theoretical and experimental investigation of stimulated emission pumping (SEP) as implemented in the coherent framework of two-color resonant four-wave mixing (TC-RFWM) spectroscopy is presented, with special emphasis directed toward the identification of polarization geometries that can distinguish spectral features according to their attendant changes in rotational quantum numbers. A vector-recoupling formalism built upon a perturbative treatment of matter-field interactions and a state-multipole expansion of the density operator allowed the weak-field signal intensity to be cast in terms of a TC-RFWM response tensor, RQ(K)(epsilon4*epsilon3epsilon2*epsilon1;Jg,Je,Jh,Jf), which separates the transverse characteristics of the incident and generated electromagnetic waves (epsilon4*epsilon3epsilon2*epsilon1) from the angular momentum properties of the PUMP and DUMP resonances (Jg,Je,Jh,Jf). For an isolated SEP process induced in an isotropic medium, the criteria needed to discriminate against subsets of rovibronic structure were encoded in the roots of a single tensor element, R0(0)(epsilon4*epsilon3epsilon2*epsilon1;Jg,Je,Jh,Je). By assuming all optical fields to be polarized linearly and invoking the limit of high quantum numbers, specific angles of polarization for the detected signal field were found to suppress DUMP resonances selectively according to the nature of their rotational branch and the rotational branch of the meshing PUMP line. These predictions were corroborated by performing SEP measurements on the ground electronic potential energy surface of tropolone in two distinct regimes of vibrational excitation, with the near-ultraviolet 1B2-1A1 (pi*<--pi) absorption system affording the requisite PUMP and DUMP transitions.

Millimeter/Submillimeter Spectroscopy of TiO (X3Δr): The Rare Titanium Isotopologues

NASA Astrophysics Data System (ADS)

Lincowski, A. P.; Halfen, D. T.; Ziurys, L. M.

2016-12-01

Pure rotational spectra of the rare isotopologues of titanium oxide, 46TiO, 47TiO, 49TiO, and 50TiO, have been recorded using a combination of Fourier transform millimeter-wave (FTmmW) and millimeter/submillimeter direct absorption techniques in the frequency range 62-538 GHz. This study is the first complete spectroscopic characterization of these species in their X 3Δ r ground electronic states. The isotopologues were created by the reaction of N2O or O2 and titanium vapor, produced either by laser ablation or in a Broida-type oven, and observed in the natural Ti isotopic abundances. Between 10 and 11 rotational transitions J + 1 ≤ftrightarrow J were measured for each species, typically in all 3 spin-orbit ladders Ω = 1, 2, and 3. For 47TiO and 49TiO, hyperfine structure was resolved, originating from the titanium-47 and titanium-49 nuclear spins of I = 5/2 and 7/2, respectively. For the Ω = 1 and 3 components, the hyperfine structure was found to follow a classic Landé pattern, while that for Ω = 2 appeared to be perturbed, likely a result of mixing with the nearby isoconfigurational a 1Δ state. The spectra were analyzed with a case (a) Hamiltonian, and rotational, spin-orbit, and spin-spin parameters were determined for each species, as well as magnetic hyperfine and electric quadrupole constants for the two molecules with nuclear spins. The most abundant species, 48TiO, has been detected in circumstellar envelopes. These measurements will enable other titanium isotopologues to be studied at millimeter wavelengths, providing Ti isotope ratios that can test models of nucleosynthesis.

Resolving the negative potential side (n-side) water-accessible proton pathway of F-type ATP synthase by molecular dynamics simulations.

PubMed

Gohlke, Holger; Schlieper, Daniel; Groth, Georg

2012-10-19

The rotation of F(1)F(o)-ATP synthase is powered by the proton motive force across the energy-transducing membrane. The protein complex functions like a turbine; the proton flow drives the rotation of the c-ring of the transmembrane F(o) domain, which is coupled to the ATP-producing F(1) domain. The hairpin-structured c-protomers transport the protons by reversible protonation/deprotonation of a conserved Asp/Glu at the outer transmembrane helix (TMH). An open question is the proton transfer pathway through the membrane at atomic resolution. The protons are thought to be transferred via two half-channels to and from the conserved cAsp/Glu in the middle of the membrane. By molecular dynamics simulations of c-ring structures in a lipid bilayer, we mapped a water channel as one of the half-channels. We also analyzed the suppressor mutant cP24D/E61G in which the functional carboxylate is shifted to the inner TMH of the c-protomers. Current models concentrating on the "locked" and "open" conformations of the conserved carboxylate side chain are unable to explain the molecular function of this mutant. Our molecular dynamics simulations revealed an extended water channel with additional water molecules bridging the distance of the outer to the inner TMH. We suggest that the geometry of the water channel is an important feature for the molecular function of the membrane part of F(1)F(o)-ATP synthase. The inclination of the proton pathway isolates the two half-channels and may contribute to a favorable clockwise rotation in ATP synthesis mode.

Theory of retrieving orientation-resolved molecular information using time-domain rotational coherence spectroscopy

NASA Astrophysics Data System (ADS)

Wang, Xu; Le, Anh-Thu; Zhou, Zhaoyan; Wei, Hui; Lin, C. D.

2017-08-01

We provide a unified theoretical framework for recently emerging experiments that retrieve fixed-in-space molecular information through time-domain rotational coherence spectroscopy. Unlike a previous approach by Makhija et al. (V. Makhija et al., arXiv:1611.06476), our method can be applied to the retrieval of both real-valued (e.g., ionization yield) and complex-valued (e.g., induced dipole moment) molecular response information. It is also a direct retrieval method without using iterations. We also demonstrate that experimental parameters, such as the fluence of the aligning laser pulse and the rotational temperature of the molecular ensemble, can be quite accurately determined using a statistical method.

The Distribution and Excitation of CH3CN in a Solar Nebula Analog

NASA Astrophysics Data System (ADS)

Loomis, Ryan A.; Cleeves, L. Ilsedore; Öberg, Karin I.; Aikawa, Yuri; Bergner, Jennifer; Furuya, Kenji; Guzman, V. V.; Walsh, Catherine

2018-06-01

Cometary studies suggest that the organic composition of the early Solar Nebula was rich in complex nitrile species such CH3CN. Recent ALMA detections in protoplanetary disks suggest that these species may be common during planet and comet formation, but connecting gas-phase measurements to cometary abundances first requires constraints on formation chemistry and distributions of these species. We present here the detection of seven spatially resolved transitions of CH3CN in the protoplanetary disk around the T-Tauri star TW Hya. Using a rotational diagram analysis, we find a disk-averaged column density of {N}T={1.45}-0.15+0.19× {10}12 cm‑2 and a rotational temperature of {T}rot}={32.7}-3.4+3.9 K. A radially resolved rotational diagram shows the rotational temperature to be constant across the disk, suggesting that the CH3CN emission originates from a layer at z/r ∼ 0.3. Through comparison of the observations with predictions from a disk chemistry model, we find that grain-surface reactions likely dominate CH3CN formation and that in situ disk chemistry is sufficient to explain the observed CH3CN column density profile without invoking inheritance from the protostellar phase. However, the same model fails to reproduce a solar system cometary abundance of CH3CN relative to H2O in the midplane, suggesting that either vigorous vertical mixing or some degree of inheritance from interstellar ices occurred in the Solar Nebula.

Rotational relaxation of AlO+(1Σ+) in collision with He

NASA Astrophysics Data System (ADS)

Denis-Alpizar, O.; Trabelsi, T.; Hochlaf, M.; Stoecklin, T.

2018-03-01

The rate coefficients for the rotational de-excitation of AlO+ by collisions with He are determined. The possible production mechanisms of the AlO+ ion in both diffuse and dense molecular clouds are first discussed. A set of ab initio interaction energies is computed at the CCSD(T)-F12 level of theory, and a three-dimensional analytical model of the potential energy surface is obtained using a linear combination of reproducing kernel Hilbert space polynomials together with an analytical long range potential. The nuclear spin free close-coupling equations are solved and the de-excitation rotational rate coefficients for the lower 15 rotational states of AlO+ are reported. A propensity rule to favour Δj = -1 transitions is obtained while the hyperfine resolved state-to-state rate coefficients are also discussed.

Quantum state-resolved energy transfer dynamics at gas-liquid interfaces: IR laser studies of CO2 scattering from perfluorinated liquids.

PubMed

Perkins, Bradford G; Häber, Thomas; Nesbitt, David J

2005-09-01

An apparatus for detailed study of quantum state-resolved inelastic energy transfer dynamics at the gas-liquid interface is described. The approach relies on supersonic jet-cooled molecular beams impinging on a continuously renewable liquid surface in a vacuum and exploits sub-Doppler high-resolution laser absorption methods to probe rotational, vibrational, and translational distributions in the scattered flux. First results are presented for skimmed beams of jet-cooled CO(2) (T(beam) approximately 15 K) colliding at normal incidence with a liquid perfluoropolyether (PFPE) surface at E(inc) = 10.6(8) kcal/mol. The experiment uses a tunable Pb-salt diode laser for direct absorption on the CO(2) nu(3) asymmetric stretch. Measured rotational distributions in both 00(0)0 and 01(1)0 vibrational manifolds indicate CO(2) inelastically scatters from the liquid surface into a clearly non-Boltzmann distribution, revealing nonequilibrium dynamics with average rotational energies in excess of the liquid (T(s) = 300 K). Furthermore, high-resolution analysis of the absorption profiles reveals that Doppler widths correspond to temperatures significantly warmer than T(s) and increase systematically with the J rotational state. These rotational and translational distributions are consistent with two distinct gas-liquid collision pathways: (i) a T approximately 300 K component due to trapping-desorption (TD) and (ii) a much hotter distribution (T approximately 750 K) due to "prompt" impulsive scattering (IS) from the gas-liquid interface. By way of contrast, vibrational populations in the CO(2) bending mode are inefficiently excited by scattering from the liquid, presumably reflecting much slower T-V collisional energy transfer rates.

Quantum State-Resolved Collision Dynamics of Nitric Oxide at Ionic Liquid and Molten Metal Surfaces

NASA Astrophysics Data System (ADS)

Zutz, Amelia Marie

Detailed molecular scale interactions at the gas-liquid interface are explored with quantum state-to-state resolved scattering of a jet-cooled beam of NO(2pi1/2; N = 0) from ionic liquid and molten metal surfaces. The scattered distributions are probed via laser-induced fluorescence methods, which yield rotational and spin-orbit state populations that elucidate the dynamics of energy transfer at the gas-liquid interface. These collision dynamics are explored as a function of incident collision energy, surface temperature, scattering angle, and liquid identity, all of which are found to substantially affect the degree of rotational, electronic and vibrational excitation of NO via collisions at the liquid surface. Rotational distributions observed reveal two distinct scattering pathways, (i) molecules that trap, thermalize and eventually desorb from the surface (trapping-desorption, TD), and (ii) those that undergo prompt recoil (impulsive scattering, IS) prior to complete equilibration with the liquid surface. Thermally desorbing NO molecules are found to have rotational temperatures close to, but slightly cooler than the surface temperature, indicative of rotational dependent sticking probabilities on liquid surfaces. Nitric oxide is a radical with multiple low-lying electronic states that serves as an ideal candidate for exploring nonadiabatic state-changing collision dynamics at the gas-liquid interface, which induce significant excitation from ground (2pi1/2) to excited (2pi 3/2) spin-orbit states. Molecular beam scattering of supersonically cooled NO from hot molten metals (Ga and Au, Ts = 300 - 1400 K) is also explored, which provide preliminary evidence for vibrational excitation of NO mediated by thermally populated electron-hole pairs in the hot, conducting liquid metals. The results highlight the presence of electronically nonadiabatic effects and build toward a more complete characterization of energy transfer dynamics at gas-liquid interfaces.

Rotational characterization of methyl methacrylate: Internal dynamics and structure determination

NASA Astrophysics Data System (ADS)

Herbers, Sven; Wachsmuth, Dennis; Obenchain, Daniel A.; Grabow, Jens-Uwe

2018-01-01

Rotational constants, Watson's S centrifugal distortion coefficients, and internal rotation parameters of the two most stable conformers of methyl methacrylate were retrieved from the microwave spectrum. Splittings of rotational energy levels were caused by two non equivalent methyl tops. Constraining the centrifugal distortion coefficients and internal rotation parameters to the values of the main isotopologues, the rotational constants of all single substituted 13C and 18O isotopologues were determined. From these rotational constants the substitution structures and semi-empirical zero point structures of both conformers were precisely determined.

Rotating plug bearing and seal

DOEpatents

Wade, Elman E.

1977-01-01

A bearing and seal structure for nuclear reactors utilizing rotating plugs above the nuclear reactor vessel. The structure permits lubrication of bearings and seals of the rotating plugs without risk of the lubricant draining into the reactor vessel below. The structure permits lubrication by utilizing a rotating outer race bearing.

Broadband mid-infrared and THz chemical detection with quantum cascade laser multi-heterodyne spectrometers (Conference Presentation)

NASA Astrophysics Data System (ADS)

Westberg, Jonas; Sterczewski, Lukasz A.; Patrick, Link; Wysocki, Gerard

2017-05-01

Majority of chemical species of interest in security and safety applications (e.g. explosives) have complex molecular structures that produce unresolved rotational-vibrational spectroscopic signatures in the mid-infrared. This requires spectroscopic techniques that can provide broadband coverage in the mid-IR region to target broadband absorbers and high resolution to address small molecules that exhibit well-resolved spectral lines. On the other hand, many broadband mid-IR absorbers exhibit well-resolved rotational components in the THz spectral region. Thus, development of spectroscopic sensing technologies that can address both spectral regions is of great importance. Here we demonstrate recent progress towards broadband high-resolution spectroscopic sensing applications with Fabry-Perot quantum cascade lasers (QCLs) and frequency combs using multi-heterodyne spectroscopy (MHS) techniques. In this paper, we will present spectroscopic sensing of large and small molecules in the mid-IR region using QCLs operating at 8.5µm. An example high-resolution, broadband MHS of ammonia (small molecule) and isobutane (broadband absorber) at atmospheric pressure in the 1165-1190 cm^-1 range will be discussed. We have developed a balanced MHS system for mitigation of the laser intensity fluctuations. Absorption spectroscopy as well as dispersion spectroscopy with minimum fractional absorption down to 10^-4/Hz1/2 and fast spectral acquisition capabilities down to 10 µs/spectrum range will be demonstrated. In order to mitigate the shortcomings of the limited chemical selectivity in the mid-IR, THz QCL based spectrometer is currently under development to provide spectral de-congestion and thus significantly improve chemical identification. Preliminary characterization of the performance of THZ QCL combs for the THz QCL-MHS will be presented.

Haloes gone MAD: The Halo-Finder Comparison Project

NASA Astrophysics Data System (ADS)

Knebe, Alexander; Knollmann, Steffen R.; Muldrew, Stuart I.; Pearce, Frazer R.; Aragon-Calvo, Miguel Angel; Ascasibar, Yago; Behroozi, Peter S.; Ceverino, Daniel; Colombi, Stephane; Diemand, Juerg; Dolag, Klaus; Falck, Bridget L.; Fasel, Patricia; Gardner, Jeff; Gottlöber, Stefan; Hsu, Chung-Hsing; Iannuzzi, Francesca; Klypin, Anatoly; Lukić, Zarija; Maciejewski, Michal; McBride, Cameron; Neyrinck, Mark C.; Planelles, Susana; Potter, Doug; Quilis, Vicent; Rasera, Yann; Read, Justin I.; Ricker, Paul M.; Roy, Fabrice; Springel, Volker; Stadel, Joachim; Stinson, Greg; Sutter, P. M.; Turchaninov, Victor; Tweed, Dylan; Yepes, Gustavo; Zemp, Marcel

2011-08-01

We present a detailed comparison of fundamental dark matter halo properties retrieved by a substantial number of different halo finders. These codes span a wide range of techniques including friends-of-friends, spherical-overdensity and phase-space-based algorithms. We further introduce a robust (and publicly available) suite of test scenarios that allow halo finder developers to compare the performance of their codes against those presented here. This set includes mock haloes containing various levels and distributions of substructure at a range of resolutions as well as a cosmological simulation of the large-scale structure of the universe. All the halo-finding codes tested could successfully recover the spatial location of our mock haloes. They further returned lists of particles (potentially) belonging to the object that led to coinciding values for the maximum of the circular velocity profile and the radius where it is reached. All the finders based in configuration space struggled to recover substructure that was located close to the centre of the host halo, and the radial dependence of the mass recovered varies from finder to finder. Those finders based in phase space could resolve central substructure although they found difficulties in accurately recovering its properties. Through a resolution study we found that most of the finders could not reliably recover substructure containing fewer than 30-40 particles. However, also here the phase-space finders excelled by resolving substructure down to 10-20 particles. By comparing the halo finders using a high-resolution cosmological volume, we found that they agree remarkably well on fundamental properties of astrophysical significance (e.g. mass, position, velocity and peak of the rotation curve). We further suggest to utilize the peak of the rotation curve, vmax, as a proxy for mass, given the arbitrariness in defining a proper halo edge. Airport code for Madrid, Spain

ALMA Resolves the Nuclear Disks of Arp 220

NASA Astrophysics Data System (ADS)

Scoville, Nick; Murchikova, Lena; Walter, Fabian; Vlahakis, Catherine; Koda, Jin; Vanden Bout, Paul; Barnes, Joshua; Hernquist, Lars; Sheth, Kartik; Yun, Min; Sanders, David; Armus, Lee; Cox, Pierre; Thompson, Todd; Robertson, Brant; Zschaechner, Laura; Tacconi, Linda; Torrey, Paul; Hayward, Christopher C.; Genzel, Reinhard; Hopkins, Phil; van der Werf, Paul; Decarli, Roberto

2017-02-01

We present 90 mas (37 pc) resolution ALMA imaging of Arp 220 in the CO (1-0) line and continuum at λ =2.6 {mm}. The internal gas distribution and kinematics of both galactic nuclei are well resolved for the first time. In the west nucleus, the major gas and dust emission extends out to 0.″2 radius (74 pc); the central resolution element shows a strong peak in the dust emission but a factor of 3 dip in the CO line emission. In this nucleus, the dust is apparently optically thick ({τ }2.6{mm}˜ 1) at λ =2.6 {mm} with a dust brightness temperature of ˜147 K. The column of interstellar matter at this nucleus is {N}{{H}2}≥slant 2× {10}26 cm-2, corresponding to ˜900 gr cm-2. The east nucleus is more elongated with radial extent 0.″3 or ˜111 pc. The derived kinematics of the nuclear disks provide a good fit to the line profiles, yielding the emissivity distributions, the rotation curves, and velocity dispersions. In the west nucleus, there is evidence of a central Keplerian component requiring a central mass of 8 × 108 {M}⊙ . The intrinsic widths of the emission lines are {{Δ }}v({FWHM})=250 (west) and 120 (east) km s-1. Given the very short dissipation timescales for turbulence (≲105 years), we suggest that the line widths may be due to semicoherent motions within the nuclear disks. The symmetry of the nuclear disk structures is impressive, implying the merger timescale is significantly longer than the rotation period of the disks.

Paleomagnetic and structural evidence for oblique slip in a fault-related fold, Grayback monocline, Colorado

USGS Publications Warehouse

Tetreault, J.; Jones, C.H.; Erslev, E.; Larson, S.; Hudson, M.; Holdaway, S.

2008-01-01

Significant fold-axis-parallel slip is accommodated in the folded strata of the Grayback monocline, northeastern Front Range, Colorado, without visible large strike-slip displacement on the fold surface. In many cases, oblique-slip deformation is partitioned; fold-axis-normal slip is accommodated within folds, and fold-axis-parallel slip is resolved onto adjacent strike-slip faults. Unlike partitioning strike-parallel slip onto adjacent strike-slip faults, fold-axis-parallel slip has deformed the forelimb of the Grayback monocline. Mean compressive paleostress orientations in the forelimb are deflected 15??-37?? clockwise from the regional paleostress orientation of the northeastern Front Range. Paleomagnetic directions from the Permian Ingleside Formation in the forelimb are rotated 16??-42?? clockwise about a bedding-normal axis relative to the North American Permian reference direction. The paleostress and paleomagnetic rotations increase with the bedding dip angle and decrease along strike toward the fold tip. These measurements allow for 50-120 m of fold-axis-parallel slip within the forelimb, depending on the kinematics of strike-slip shear. This resolved horizontal slip is nearly equal in magnitude to the ???180 m vertical throw across the fold. For 200 m of oblique-slip displacement (120 m of strike slip and 180 m of reverse slip), the true shortening direction across the fold is N90??E, indistinguishable from the regionally inferred direction of N90??E and quite different from the S53??E fold-normal direction. Recognition of this deformational style means that significant amounts of strike slip can be accommodated within folds without axis-parallel surficial faulting. ?? 2008 Geological Society of America.

Helium ignition in rotating magnetized CO white dwarfs leading to fast and faint rather than classical Type Ia supernovae

NASA Astrophysics Data System (ADS)

Neunteufel, P.; Yoon, S.-C.; Langer, N.

2017-06-01

Context. Based mostly on stellar models that do not include rotation, CO white dwarfs that accrete helium at rates of about 10-8M⊙/ yr have been put forward as candidate progenitors for a number of transient astrophysical phenomena, including Type Ia supernovae and the peculiar and fainter Type Iax supernovae. Aims: Here we study the impact of accretion-induced spin-up including the subsequent magnetic field generation, angular momentum transport, and viscous heating on the white dwarf evolution up to the point of helium ignition. Methods: We resolve the structure of the helium accreting white dwarf models with a one-dimensional Langrangian hydrodynamic code, modified to include rotational and magnetic effects, in 315 model sequences adopting different mass-transfer rates (10-8-10-7M⊙/ yr), and initial white dwarf masses (0.54-1.10 M⊙) and luminosities (0.01-1 L⊙). Results: We find magnetic angular momentum transport, which leads to quasi-solid-body rotation, profoundly impacts the evolution of the white dwarf models, and the helium ignition conditions. Our rotating lower mass (0.54 and 0.82 M⊙) models accrete up to 50% more mass up to ignition than the non-rotating case, while it is the opposite for our more massive models. Furthermore, we find that rotation leads to helium ignition densities that are up to ten times smaller, except for the lowest adopted initial white dwarf mass. Ignition densities on the order of 106 g/cm3 are only found for the lowest accretion rates and for large amounts of accreted helium (≳0.4M⊙). However, correspondingly massive donor stars would transfer mass at much higher rates. We therefore expect explosive He-shell burning to mostly occur as deflagrations and at Ṁ > 2 × 10-8M⊙/ yr, regardless of white dwarf mass. Conclusions: Our results imply that helium accretion onto CO white dwarfs at the considered rates is unlikely to lead to the explosion of the CO core or to classical Type Ia supernovae, but may instead produce events that belong to the recently identified classes of faint and fast hydrogen-free supernovae.

A MEMS-based high frequency x-ray chopper.

PubMed

Siria, A; Dhez, O; Schwartz, W; Torricelli, G; Comin, F; Chevrier, J

2009-04-29

Time-resolved x-ray experiments require intensity modulation at high frequencies (advanced rotating choppers have nowadays reached the kHz range). We here demonstrate that a silicon microlever oscillating at 13 kHz with nanometric amplitude can be used as a high frequency x-ray chopper. We claim that using micro-and nanoelectromechanical systems (MEMS and NEMS), it will be possible to achieve higher frequencies in excess of hundreds of megahertz. Working at such a frequency can open a wealth of possibilities in chemistry, biology and physics time-resolved experiments.

Measuring the Distribution and Excitation of Cometary CH3OH Using ALMA

NASA Astrophysics Data System (ADS)

Cordiner, M. A.; Charnley, S. B.; Mumma, M. J.; Bockelée-Morvan, D.; Biver, N.; Villanueva, G.; Paganini, L.; Milam, S. N.; Remijan, A. J.; Lis, D. C.; Crovisier, J.; Boissier, J.; Kuan, Y.-J.; Coulson, I. M.

2016-10-01

The Atacama Large Millimeter/submillimeter Array (ALMA) was used to obtain measurements of spatially and spectrally resolved CH3OH emission from comet C/2012 K1 (PanSTARRS) on 28-29 June 2014. Detection of 12-14 emission lines of CH3OH on each day permitted the derivation of spatially-resolved rotational temperature profiles (averaged along the line of sight), for the innermost 5000 km of the coma. On each day, the CH3OH distribution was centrally peaked and approximately consistent with spherically symmetric, uniform outflow. The azimuthally-averaged CH3OH rotational temperature (T rot) as a function of sky-projected nucleocentric distance (ρ), fell by about 40 K between ρ= 0 and 2500 km on 28 June, whereas on 29 June, T rot fell by about 50 K between ρ =0 km and 1500 km. A remarkable (~50 K) rise in T rot at ρ = 1500-2500 km on 29 June was not present on 28 June. The observed variations in CH3OH rotational temperature are interpreted primarily as a result of variations in the coma kinetic temperature due to adiabatic cooling, and heating through Solar irradiation, but collisional and radiative non-LTE excitation processes also play a role.

Laboratory detection of the C3N an C4H free radicals

NASA Technical Reports Server (NTRS)

Gottlieb, C. A.; Gottlieb, E. W.; Thaddeus, P.; Kawamura, H.

1983-01-01

The millimeter-wave spectra of the linear carbon chain free radicals C3N and C4H, first identified in IRC + 10216 and hitherto observed only in a few astronomical sources, have been detected with a Zeeman-modulated spectrometer in laboratory glow discharges through low pressure flowing mixtures of N2 + HC3N and He + HCCH, respectively. Four successive rotational transitions between 168 and 198 GHz have been measured for C3N, and five rotational transitions between 143 and 200 GHz for C4H; each is a well-resolved spin doublet owing to the unpaired electron present in both species. Precise values for the rotational, centrifugal distortion, and spin doubling constants have been obtained, which, with hyperfine constants derived from observations of the lower rotational transitions in the astronomical source TMC 1, allow all the rotational transitions of C3N and C4H at frequencies less than 300 GHz to be calculated to an absolute accuracy exceeding 1 ppm.

Doppler-resolved kinetics of saturation recovery

DOE PAGES

Forthomme, Damien; Hause, Michael L.; Yu, Hua -Gen; ...

2015-04-08

Frequency modulated laser transient absorption has been used to monitor the ground state rotational energy transfer rates of CN radicals in a double-resonance, depletion recovery experiment. When a pulsed laser is used to burn a hole in the equilibrium ground state population of one rotational state without velocity selection, the population recovery rate is found to depend strongly on the Doppler detuning of a narrow-band probe laser. Similar effects should be apparent for any relaxation rate process that competes effectively with velocity randomization. Alternative methods of extracting thermal rate constants in the presence of these non-thermal conditions are evaluated. Totalmore » recovery rate constants, analogous to total removal rate constants in an experiment preparing a single initial rotational level, are in good agreement with quantum scattering calculations, but are slower than previously reported experiments and show qualitatively different rotational state dependence between Ar and He collision partners. As a result, quasi-classical trajectory studies confirm that the differing rotational state dependence is primarily a kinematic effect.« less

The Dependence of Tropical Cyclone Count and Size on Rotation Rate

NASA Astrophysics Data System (ADS)

Chavas, D. R.; Reed, K. A.

2017-12-01

Both theory and idealized equilibrium modeling studies indicate that tropical cyclone size decreases with background rotation rate. In contrast, in real-world observations size tends to increase with latitude. Here we seek to resolve this apparent contradiction via a set of reduced-complexity global aquaplanet simulations with varying planetary rotation rates using the NCAR Community Atmosphere Model 5. The latitudinal distribution of both storm count and size are found to vary markedly with rotation rate, yielding insight into the dynamical constraints on tropical cyclone activity on a rotating planet. Moreover, storm size is found to vary non-monotonically with latitude, indicating that non-equilibrium effects are crucial to the life-cycle evolution of size in nature. Results are then compared to experiments in idealized, time-dependent limited-area modeling simulations using CM1 in axisymmetric and three-dimensional geometry. Taken together, this hierarchy of models is used to quantify the role of equilibrium versus transient controls on storm size and the relevance of each to real storms in nature.

Drift kinetic effects on the plasma response in high beta spherical tokamak experiments

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

Wang, Zhirui; Park, Jong-Kyu; Menard, Jonathan E.

The high β plasma response to rotating n = 1 external magnetic perturbations is numerically studied and compared with the National Spherical Torus Experiment (NSTX). The hybrid magnetohydrodynamic(MHD)-kinetic modeling shows that drift kinetic effects are important in resolving the disagreement of plasma response between the ideal MHD prediction and the NSTX experimental observation when plasma pressure reaches and exceeds the no-wall limit. Since the external rotating fields and high plasma rotation are presented in the NSTX experiments, the importance of the resistive wall effect and plasma rotation in determining the plasma response is also identified, where the resistive wall suppressesmore » the plasma response through the wall eddy current. The inertial energy due to plasma rotation destabilizes the plasma. In conclusion, the complexity of the plasma response in this study indicates that MHD modeling, including comprehensive physics, e.g. the drift kinetic effects, resistive wall and plasma rotation, are essential in order to reliably predict the plasma behavior in a high beta spherical tokamak device.« less

Drift kinetic effects on plasma response in high beta spherical tokamak experiments

NASA Astrophysics Data System (ADS)

Wang, Zhirui; Park, Jong-Kyu; Menard, Jonathan E.; Liu, Yueqiang; Kaye, Stanley M.; Gerhardt, Stefan

2018-01-01

The high β plasma response to rotating n=1 external magnetic perturbations is numerically studied and compared with the National Spherical Torus Experiment (NSTX). The hybrid magnetohydrodynamic(MHD)-kinetic modeling shows that drift kinetic effects are important in resolving the disagreement of plasma response between the ideal MHD prediction and the NSTX experimental observation when plasma pressure reaches and exceeds the no-wall limit (Troyon et al 1984 Plasma Phys. Control. Fusion 26 209). Since the external rotating fields and high plasma rotation are presented in the NSTX experiments, the importance of the resistive wall effect and plasma rotation in determining the plasma response is also identified, where the resistive wall suppresses the plasma response through the wall eddy current. The inertial energy due to plasma rotation destabilizes the plasma. The complexity of the plasma response in this study indicates that MHD modeling, including comprehensive physics, e.g. the drift kinetic effects, resistive wall and plasma rotation, are essential in order to reliably predict the plasma behavior in a high beta spherical tokamak device.

Drift kinetic effects on the plasma response in high beta spherical tokamak experiments

DOE PAGES

Wang, Zhirui; Park, Jong-Kyu; Menard, Jonathan E.; ...

2017-09-21

The high β plasma response to rotating n = 1 external magnetic perturbations is numerically studied and compared with the National Spherical Torus Experiment (NSTX). The hybrid magnetohydrodynamic(MHD)-kinetic modeling shows that drift kinetic effects are important in resolving the disagreement of plasma response between the ideal MHD prediction and the NSTX experimental observation when plasma pressure reaches and exceeds the no-wall limit. Since the external rotating fields and high plasma rotation are presented in the NSTX experiments, the importance of the resistive wall effect and plasma rotation in determining the plasma response is also identified, where the resistive wall suppressesmore » the plasma response through the wall eddy current. The inertial energy due to plasma rotation destabilizes the plasma. In conclusion, the complexity of the plasma response in this study indicates that MHD modeling, including comprehensive physics, e.g. the drift kinetic effects, resistive wall and plasma rotation, are essential in order to reliably predict the plasma behavior in a high beta spherical tokamak device.« less

Frequency and time resolved measurements at rotating ring-disk electrodes for studying localized corrosion

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

Huet, F.; Keddam, M.; Takenouti, H.

1993-07-01

By conferring frequency and time resolution on the rotating rink-disk electrode technique, original information can be obtained on the mechanism of corrosion processes involving the formation of intermediate, passive, or corrosion product layers. The methodology that allows the measurement of the actual flux of chemical species generated by a localized corrosion site is described which takes into account the usual parameters of the RRDE and the location of the active spot on the disk surface. Application to pitting corrosion of iron by Cl[sup [minus

Triaxial ellipsoid dimensions and rotational poles of seven asteroids from Lick Observatory adaptive optics images, and of Ceres

NASA Astrophysics Data System (ADS)

Drummond, Jack; Christou, Julian

2008-10-01

Seven main belt asteroids, 2 Pallas, 3 Juno, 4 Vesta, 16 Psyche, 87 Sylvia, 324 Bamberga, and 707 Interamnia, were imaged with the adaptive optics system on the 3 m Shane telescope at Lick Observatory in the near infrared, and their triaxial ellipsoid dimensions and rotational poles have been determined with parametric blind deconvolution. In addition, the dimensions and pole for 1 Ceres are derived from resolved images at multiple epochs, even though it is an oblate spheroid.

Tomographic reconstruction of heat release rate perturbations induced by helical modes in turbulent swirl flames

NASA Astrophysics Data System (ADS)

Moeck, Jonas P.; Bourgouin, Jean-François; Durox, Daniel; Schuller, Thierry; Candel, Sébastien

2013-04-01

Swirl flows with vortex breakdown are widely used in industrial combustion systems for flame stabilization. This type of flow is known to sustain a hydrodynamic instability with a rotating helical structure, one common manifestation of it being the precessing vortex core. The role of this unsteady flow mode in combustion is not well understood, and its interaction with combustion instabilities and flame stabilization remains unclear. It is therefore important to assess the structure of the perturbation in the flame that is induced by this helical mode. Based on principles of tomographic reconstruction, a method is presented to determine the 3-D distribution of the heat release rate perturbation associated with the helical mode. Since this flow instability is rotating, a phase-resolved sequence of projection images of light emitted from the flame is identical to the Radon transform of the light intensity distribution in the combustor volume and thus can be used for tomographic reconstruction. This is achieved with one stationary camera only, a vast reduction in experimental and hardware requirements compared to a multi-camera setup or camera repositioning, which is typically required for tomographic reconstruction. Different approaches to extract the coherent part of the oscillation from the images are discussed. Two novel tomographic reconstruction algorithms specifically tailored to the structure of the heat release rate perturbations related to the helical mode are derived. The reconstruction techniques are first applied to an artificial field to illustrate the accuracy. High-speed imaging data acquired in a turbulent swirl-stabilized combustor setup with strong helical mode oscillations are then used to reconstruct the 3-D structure of the associated perturbation in the flame.

Diffractive imaging of a rotational wavepacket in nitrogen molecules with femtosecond megaelectronvolt electron pulses

DOE PAGES

Yang, Jie; Guehr, Markus; Vecchione, Theodore; ...

2016-04-05

Imaging changes in molecular geometries on their natural femtosecond timescale with sub-Angström spatial precision is one of the critical challenges in the chemical sciences, as the nuclear geometry changes determine the molecular reactivity. For photoexcited molecules, the nuclear dynamics determine the photoenergy conversion path and efficiency. Here we report a gas-phase electron diffraction experiment using megaelectronvolt (MeV) electrons, where we captured the rotational wavepacket dynamics of nonadiabatically laser-aligned nitrogen molecules. We achieved a combination of 100 fs root-mean-squared temporal resolution and sub-Angstrom (0.76 Å) spatial resolution that makes it possible to resolve the position of the nuclei within the molecule.more » In addition, the diffraction patterns reveal the angular distribution of the molecules, which changes from prolate (aligned) to oblate (anti-aligned) in 300 fs. Lastly, our results demonstrate a significant and promising step towards making atomically resolved movies of molecular reactions.« less

Rotationally resolved spectroscopy of Jupiter Trojans (624) Hektor and (911) Agamemnon

NASA Astrophysics Data System (ADS)

Perna, D.; Bott, N.; Hromakina, T.; Mazzotta Epifani, E.; Dotto, E.; Doressoundiram, A.

2018-03-01

We present the first-ever rotationally resolved spectroscopic investigation of (624) Hektor and (911) Agamemnon, the two largest Jupiter Trojans. The visible and near-infrared spectra that we have obtained at the TNG telescope (La Palma, Spain) do not show any feature or hints of heterogeneity. In particular, we found no hints of water-related absorptions. No cometary activity was detected down to ˜23.5 R mag arcsec-2 based on the complementary photometric data. We estimated upper limits on the dust production rates of Hektor and Agamemnon to be ≈30 and ≈24 kg s-1, respectively. We modelled complete visible and near-infrared spectra of our targets using the Shkuratov formalism to define the upper limit to the presence of water ice and more in general to constrain their surface composition. For both objects, successful models include amorphous carbon, magnesium-rich pyroxene, and kerogen, with an upper limit to the amount of water ice of a few per cent.

Evidence for disks at an early stage in class 0 protostars?

NASA Astrophysics Data System (ADS)

Gerin, M.; Pety, J.; Commerçon, B.; Fuente, A.; Cernicharo, J.; Marcelino, N.; Ciardi, A.; Lis, D. C.; Roueff, E.; Wootten, H. A.; Chapillon, E.

2017-10-01

Aims: The formation epoch of protostellar disks is debated because of the competing roles of rotation, turbulence, and magnetic fields in the early stages of low-mass star formation. Magnetohydrodynamics simulations of collapsing cores predict that rotationally supported disks may form in strongly magnetized cores through ambipolar diffusion or misalignment between the rotation axis and the magnetic field orientation. Detailed studies of individual sources are needed to cross check the theoretical predictions. Methods: We present 0.06-0.1'' resolution images at 350 GHz toward B1b-N and B1b-S, which are young class 0 protostars, possibly first hydrostatic cores. The images have been obtained with ALMA, and we compare these data with magnetohydrodynamics simulations of a collapsing turbulent and magnetized core. Results: The submillimeter continuum emission is spatially resolved by ALMA. Compact structures with optically thick 350 GHz emission are detected toward both B1b-N and B1b-S, with 0.2 and 0.35'' radii (46 and 80 au at the Perseus distance of 230 pc), within a more extended envelope. The flux ratio between the compact structure and the envelope is lower in B1b-N than in B1b-S, in agreement with its earlier evolutionary status. The size and orientation of the compact structure are consistent with 0.2'' resolution 32 GHz observations obtained with the Very Large Array as a part of the VANDAM survey, suggesting that grains have grown through coagulation. The morphology, temperature, and densities of the compact structures are consistent with those of disks formed in numerical simulations of collapsing cores. Moreover, the properties of B1b-N are consistent with those of a very young protostar, possibly a first hydrostatic core. These observations provide support for the early formation of disks around low-mass protostars. The reduced images and datacubes are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/606/A35

Rotating Connection for Electrical Cables

NASA Technical Reports Server (NTRS)

Manges, D. R.

1986-01-01

Cable reel provides electrical connections between fixed structure and rotating one. Reel carries power and signal lines while allowing rotating structure to turn up to 360 degrees with respect to fixed structure. Reel replaces sliprings. Can be used to electrically connect arm of robot with body. Reel releases cable to rotating part as it turns and takes up cable as rotating part comes back to its starting position, without tangling, twisting, or kinking.

Observation of Pure Rotational Spectra of SiCCN by Fourier-Transform Microwave Spectroscopy

NASA Astrophysics Data System (ADS)

Umeki, Hiroya; Nakajima, Masakazu; Endo, Yasuki

2014-06-01

Pure rotational spectra of SiCCN ( ˜{X} 2Π3/2) have been observed using Fourier-transform microwave (FTMW) spectroscopy in the frequency region 13 to 35 GHz. The SiCCN radical was produced in a supersonic jet by discharging a mixture gas, 0.2% SiCl4 and 0.2% CH3CN diluted in Ar. The effective rotational constant Beff,3/2, the centrifugal distortion constant D, and the hyperfine coupling constants, a + (b + c)/2 and eQq0, were determined with a standard deviation of the fit to be 6 kHz. Determined B and eQq0 are consistent with those derived from ab initio calculations. Λ-type doublings were not resolved for the observed spectra.

Hydration Dynamics of Hyaluronan and Dextran

PubMed Central

Hunger, Johannes; Bernecker, Anja; Bakker, Huib J.; Bonn, Mischa; Richter, Ralf P.

2012-01-01

Hyaluronan is a polysaccharide, which is ubiquitous in vertebrates and has been reported to be strongly hydrated in a biological environment. We study the hydration of hyaluronan in solution using the rotational dynamics of water as a probe. We measure these dynamics with polarization-resolved femtosecond-infrared and terahertz time-domain spectroscopies. Both experiments reveal that a subensemble of water molecules is slowed down in aqueous solutions of hyaluronan amounting to ∼15 water molecules per disaccharide unit. This quantity is consistent with what would be expected for the first hydration shell. Comparison of these results to the water dynamics in aqueous dextran solution, a structurally similar polysaccharide, yields remarkably similar results. This suggests that the observed interaction with water is a common feature for hydrophilic polysaccharides and is not specific to hyaluronan. PMID:22828349

Internal state control of a dense sample of ultracold 23Na87Rb molecules

NASA Astrophysics Data System (ADS)

Ye, Xin; Guo, Mingyang; He, Junyu; Wang, Dajun; Quemener, Goulven; Gonzalez-Martinez, Maykel; Dulieu, Oliver

2017-04-01

We report the optimized production of ultracold 23Na87Rb molecules with completely controlled population distribution among internal states. Starting from a sample of 104 weakly bound Feshbach molecules, we achieved a hyperfine-structure-resolved STIRAP transfer to the ground state with an efficiency up to 95%. By tuning the frequency difference between the Raman lasers and applying an additional microwave signal, we realized the preparation of NaRb samples in different vibrational, rotational, and hyperfine levels. Based on this achievement, some results on molecular collisions with a range of possible loss channels will also be reported. This work was supported by the French ANR/Hong Kong RGC COPOMOL project (Grant No. A-CUHK403/13), the RGC General Research Fund (Grant No. CUHK14301815).

An Orbital Trap Mass Analyzer Using a Hybrid Magnetic-Electric Field: A Simulation Study

NASA Astrophysics Data System (ADS)

Xu, Chongsheng; Wu, Fangling; Ding, Li; Ding, Chuan-Fan

2018-03-01

An orbital ion trap mass analyzer employing hybrid magnetic-electric field was designed and simulated. The trap has a rotational symmetrical structure and the hybrid trapping field was created in a toroidal space between 12 pairs of sector detection electrodes. Ion injection and ion orbital motion inside the trap were simulated using SIMION 8.1 with a user Lua program, and the required electric and magnetic field were investigated. The image charge signal can be picked up by the 12 pairs of detection electrodes and the mass resolution was evaluated using FFT. The simulated resolving power for the optimized configuration over 79,000 FWHM was obtained at the magnetic induction intensity of 0.5 Tesla in the simulation. [Figure not available: see fulltext.

Disks, Young Stars, and Radio Waves: The Quest for Forming Planetary Systems

NASA Astrophysics Data System (ADS)

Chandler, C. J.; Shepherd, D. S.

2008-08-01

Kant and Laplace suggested the Solar System formed from a rotating gaseous disk in the 18th century, but convincing evidence that young stars are indeed surrounded by such disks was not presented for another 200 years. As we move into the 21st century the emphasis is now on disk formation, the role of disks in star formation, and on how planets form in those disks. Radio wavelengths play a key role in these studies, currently providing some of the highest-spatial-resolution images of disks, along with evidence of the growth of dust grains into planetesimals. The future capabilities of EVLA and ALMA provide extremely exciting prospects for resolving disk structure and kinematics, studying disk chemistry, directly detecting protoplanets, and imaging disks in formation.

NICER Transfer (for SpaceX CRS-11)

NASA Image and Video Library

2017-04-12

Inside the Space Station Processing Facility high bay at NASA's Kennedy Space Center in Florida, the Neutron star Interior Composition Explorer, or NICER, payload is secured inside a protective container. A technician uses a Hyster forklift to pick up the container and move it outside of the high bay. NICER will be delivered to the International Space Station aboard the SpaceX Dragon cargo carrier on the company’s 11th commercial resupply services mission to the space station. NICER will study neutron stars through soft X-ray timing. NICER will enable rotation-resolved spectroscopy of the thermal and non-thermal emissions of neutron stars in the soft X-ray band with unprecedented sensitivity, probing interior structure, the origins of dynamic phenomena and the mechanisms that underlie the most powerful cosmic particle accelerators known.

15N NMR study of nitrate ion structure and dynamics in hydrotalcite-like compounds

USGS Publications Warehouse

Hou, X.; James, Kirkpatrick R.; Yu, P.; Moore, D.; Kim, Y.

2000-01-01

We report here the first nuclear magnetic resonance (NMR) spectroscopic study of the dynamical and structural behavior of nitrate on the surface and in the interlayer of hydrotalcite-like compounds (15NO3--HT). Spectroscopically resolvable surface-absorbed and interlayer NO3- have dramatically different dynamical characteristics. The interlayer nitrate shows a well defined, temperature independent uniaxial chemical shift anisotropy (CS A) powder pattern. It is rigidly held or perhaps undergoes rotation about its threefold axis at all temperatures between -100 ??C and +80 ??C and relative humidities (R.H.) from 0 to 100% at room temperature. For surface nitrate, however, the dynamical behavior depends substantially on temperature and relative humidity. Analysis of the temperature and R.H. dependences of the peak width yields reorieritational frequencies which increase from essentially 0 at -100 ??C to 2.6 ?? 105 Hz at 60 ??C and an activation energy of 12.6 kJ/mol. For example, for samples at R.H. = 33%, the surface nitrate is isotropically mobile at frequencies greater than 105 Hz at room temperature, but it becomes rigid or only rotates on its threefold axis at -100 ??C. For dry samples and samples heated at 200 ??C (R.H. near 0%), the surface nitrate is not isotropically averaged at room temperature. In contrast to our previous results for 35Cl--containing hydrotalcite (35Cl--HT), no NMR detectable structural phase transition is observed for 15NO3--HT. The mobility of interlayer nitrate in HT is intermediate between that of carbonate and chloride.

On curve veering and flutter of rotating blades

NASA Technical Reports Server (NTRS)

Afolabi, Dare; Mehmed, Oral

1993-01-01

The eigenvalues of rotating blades usually change with rotation speed according to the Stodola-Southwell criterion. Under certain circumstances, the loci of eigenvalues belonging to two distinct modes of vibration approach each other very closely, and it may appear as if the loci cross each other. However, our study indicates that the observable frequency loci of an undamped rotating blade do not cross, but must either repel each other (leading to 'curve veering'), or attract each other (leading to 'frequency coalescence'). Our results are reached by using standard arguments from algebraic geometry--the theory of algebraic curves and catastrophe theory. We conclude that it is important to resolve an apparent crossing of eigenvalue loci into either a frequency coalescence or a curve veering, because frequency coalescence is dangerous since it leads to flutter, whereas curve veering does not precipitate flutter and is, therefore, harmless with respect to elastic stability.

Combined Néel and Brown rotational Langevin dynamics in magnetic particle imaging, sensing, and therapy

NASA Astrophysics Data System (ADS)

Reeves, Daniel B.; Weaver, John B.

2015-11-01

Magnetic nanoparticles have been studied intensely because of their possible uses in biomedical applications. Biosensing using the rotational freedom of particles has been used to detect biomarkers for cancer, hyperthermia therapy has been used to treat tumors, and magnetic particle imaging is a promising new imaging modality that can spatially resolve the concentration of nanoparticles. There are two mechanisms by which the magnetization of a nanoparticle can rotate, a fact that poses a challenge for applications that rely on precisely one mechanism. The challenge is exacerbated by the high sensitivity of the dominant mechanism to applied fields. Here, we demonstrate stochastic Langevin equation simulations for the combined rotation in magnetic nanoparticles exposed to oscillating applied fields typical to these applications to both highlight the existing relevant theory and quantify which mechanism should occur in various parameter ranges.

Calculation of Expectation Values of Operators in the Complex Scaling Method

DOE PAGES

Papadimitriou, G.

2016-06-14

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

Exploratory Bi-factor Analysis: The Oblique Case.

PubMed

Jennrich, Robert I; Bentler, Peter M

2012-07-01

Bi-factor analysis is a form of confirmatory factor analysis originally introduced by Holzinger and Swineford (Psychometrika 47:41-54, 1937). The bi-factor model has a general factor, a number of group factors, and an explicit bi-factor structure. Jennrich and Bentler (Psychometrika 76:537-549, 2011) introduced an exploratory form of bi-factor analysis that does not require one to provide an explicit bi-factor structure a priori. They use exploratory factor analysis and a bifactor rotation criterion designed to produce a rotated loading matrix that has an approximate bi-factor structure. Among other things this can be used as an aid in finding an explicit bi-factor structure for use in a confirmatory bi-factor analysis. They considered only orthogonal rotation. The purpose of this paper is to consider oblique rotation and to compare it to orthogonal rotation. Because there are many more oblique rotations of an initial loading matrix than orthogonal rotations, one expects the oblique results to approximate a bi-factor structure better than orthogonal rotations and this is indeed the case. A surprising result arises when oblique bi-factor rotation methods are applied to ideal data.

Time-resolved spectroscopic measurements behind incident and reflected shock waves in air and xenon

NASA Technical Reports Server (NTRS)

Yoshinaga, T.

1973-01-01

Time-resolved spectra have been obtained behind incident and reflected shock waves in air and xenon at initial pressures of 0.1 and 1.0 torr using a rotating drum spectrograph and the OSU (The Ohio State University) arc-driven shock tube. These spectra were used to determine the qualitative nature of the flow as well as for making estimates of the available test time. The (n+1,n) and (n,n) band spectra of N2(+) (1st negative) were observed in the test gas behind incident shock waves in air at p1=1.0 torr and Us=9-10 km/sec. Behind reflected shock waves in air, the continuum of spectra appeared to cover almost the entire wavelength of 2,500-7,000 A for the shock-heated test gas. For xenon, the spectra for the incident shock wave cases for p1=0.1 torr show an interesting structure in which two intensely bright regions are witnessed in the time direction. The spectra obtained behind reflected shock waves in xenon were also dominated by continuum radiation but included strong absorption spectra due to FeI and FeII from the moment the reflected shock passed and on.

Structure and Dynamics of Urea/Water Mixtures Investigated by Vibrational Spectroscopy and Molecular Dynamics Simulation

PubMed Central

Carr, J. K.; Buchanan, L. E.; Schmidt, J. R.; Zanni, M. T.; Skinner, J. L.

2013-01-01

Urea/water is an archetypical “biological” mixture, and is especially well known for its relevance to protein thermodynamics, as urea acts as a protein denaturant at high concentration. This behavior has given rise to an extended debate concerning urea’s influence on water structure. Based on a variety of methods and of definitions of water structure, urea has been variously described as a structure-breaker, a structure-maker, or as remarkably neutral towards water. Because of its sensitivity to microscopic structure and dynamics, vibrational spectroscopy can help resolve these debates. We report experimental and theoretical spectroscopic results for the OD stretch of HOD/H2O/urea mixtures (linear IR, 2DIR, and pump-probe anisotropy decay) and for the CO stretch of urea-D4/D2O mixtures (linear IR only). Theoretical results are obtained using existing approaches for water, and a modification of a frequency map developed for acetamide. All absorption spectra are remarkably insensitive to urea concentration, consistent with the idea that urea only very weakly perturbs water structure. Both this work and experiments by Rezus and Bakker, however, show that water’s rotational dynamics are slowed down by urea. Analysis of the simulations casts doubt on the suggestion that urea immobilizes particular doubly hydrogen bonded water molecules. PMID:23841646

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.

Micron Scale Mineralogy

NASA Astrophysics Data System (ADS)

Caldwell, W. A.; Tamura, N.; Celestre, R. S.; Padmore, H. A.; Patel, J. R.

2002-12-01

Although x-ray diffraction has been used for nearly a century as the mineralogist's definitive tool in determining crystalline structures, it has proved impossible to use this technique to spatially resolve the highly heterogeneous nature of many minerals at the mesoscopic level. Due to recent revolutions in the brightness of x-ray sources and in our ability to focus x-rays, we can now carry out conventional monochromatic rotation crystallography as well as Laue diffraction with sub-micron spatial resolution and produce maps of orientation, strain, mineral type, and even chemical speciation over tens of microns in a short amount of time. We have pioneered the development of these techniques at the 3rd generation synchrotron radiation source (Advanced Light Source) in Berkeley, and will describe their application to understanding the structure of a quartz-geode. Our results show the manner in which grain structure and texture change as a function of distance from the cavity wall and are compared with models of crystal growth in such systems. This example highlights the great utility of a synchrotron based x-ray micro-diffraction beamline and the possibilities it opens to the mineralogist.

A strong magnetic field around the supermassive black hole at the centre of the Galaxy.

PubMed

Eatough, R P; Falcke, H; Karuppusamy, R; Lee, K J; Champion, D J; Keane, E F; Desvignes, G; Schnitzeler, D H F M; Spitler, L G; Kramer, M; Klein, B; Bassa, C; Bower, G C; Brunthaler, A; Cognard, I; Deller, A T; Demorest, P B; Freire, P C C; Kraus, A; Lyne, A G; Noutsos, A; Stappers, B; Wex, N

2013-09-19

Earth's nearest candidate supermassive black hole lies at the centre of the Milky Way. Its electromagnetic emission is thought to be powered by radiatively inefficient accretion of gas from its environment, which is a standard mode of energy supply for most galactic nuclei. X-ray measurements have already resolved a tenuous hot gas component from which the black hole can be fed. The magnetization of the gas, however, which is a crucial parameter determining the structure of the accretion flow, remains unknown. Strong magnetic fields can influence the dynamics of accretion, remove angular momentum from the infalling gas, expel matter through relativistic jets and lead to synchrotron emission such as that previously observed. Here we report multi-frequency radio measurements of a newly discovered pulsar close to the Galactic Centre and show that the pulsar's unusually large Faraday rotation (the rotation of the plane of polarization of the emission in the presence of an external magnetic field) indicates that there is a dynamically important magnetic field near the black hole. If this field is accreted down to the event horizon it provides enough magnetic flux to explain the observed emission--from radio to X-ray wavelengths--from the black hole.

A strong magnetic field around the supermassive black hole at the centre of the Galaxy

NASA Astrophysics Data System (ADS)

Eatough, R. P.; Falcke, H.; Karuppusamy, R.; Lee, K. J.; Champion, D. J.; Keane, E. F.; Desvignes, G.; Schnitzeler, D. H. F. M.; Spitler, L. G.; Kramer, M.; Klein, B.; Bassa, C.; Bower, G. C.; Brunthaler, A.; Cognard, I.; Deller, A. T.; Demorest, P. B.; Freire, P. C. C.; Kraus, A.; Lyne, A. G.; Noutsos, A.; Stappers, B.; Wex, N.

2013-09-01

Earth's nearest candidate supermassive black hole lies at the centre of the Milky Way. Its electromagnetic emission is thought to be powered by radiatively inefficient accretion of gas from its environment, which is a standard mode of energy supply for most galactic nuclei. X-ray measurements have already resolved a tenuous hot gas component from which the black hole can be fed. The magnetization of the gas, however, which is a crucial parameter determining the structure of the accretion flow, remains unknown. Strong magnetic fields can influence the dynamics of accretion, remove angular momentum from the infalling gas, expel matter through relativistic jets and lead to synchrotron emission such as that previously observed. Here we report multi-frequency radio measurements of a newly discovered pulsar close to the Galactic Centre and show that the pulsar's unusually large Faraday rotation (the rotation of the plane of polarization of the emission in the presence of an external magnetic field) indicates that there is a dynamically important magnetic field near the black hole. If this field is accreted down to the event horizon it provides enough magnetic flux to explain the observed emission--from radio to X-ray wavelengths--from the black hole.

Broadband integrated polarization rotator using three-layer metallic grating structures

DOE PAGES

Fan, Ren -Hao; Liu, Dong; Peng, Ru -Wen; ...

2018-01-05

In this work, we demonstrate broadband integrated polarization rotator (IPR) with a series of three-layer rotating metallic grating structures. This transmissive optical IPR can conveniently rotate the polarization of linearly polarized light to any desired directions at different spatial locations with high conversion efficiency, which is nearly constant for different rotation angles. The linear polarization rotation originates from multi-wave interference in the three-layer grating structure. As a result, we anticipate that this type of IPR will find wide applications in analytical chemistry, biology, communication technology, imaging, etc.

Broadband integrated polarization rotator using three-layer metallic grating structures

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

Fan, Ren -Hao; Liu, Dong; Peng, Ru -Wen

In this work, we demonstrate broadband integrated polarization rotator (IPR) with a series of three-layer rotating metallic grating structures. This transmissive optical IPR can conveniently rotate the polarization of linearly polarized light to any desired directions at different spatial locations with high conversion efficiency, which is nearly constant for different rotation angles. The linear polarization rotation originates from multi-wave interference in the three-layer grating structure. As a result, we anticipate that this type of IPR will find wide applications in analytical chemistry, biology, communication technology, imaging, etc.

Rotation of the asymptotic giant branch star R Doradus

NASA Astrophysics Data System (ADS)

Vlemmings, W. H. T.; Khouri, T.; Beck, E. De; Olofsson, H.; García-Segura, G.; Villaver, E.; Baudry, A.; Humphreys, E. M. L.; Maercker, M.; Ramstedt, S.

2018-05-01

High-resolution observations of the extended atmospheres of asymptotic giant branch (AGB) stars can now directly be compared to the theories that describe stellar mass loss. Using Atacama Large Millimeter/submillimeter Array (ALMA) high angular resolution (30 × 42 mas) observations, we have for the first time resolved stellar rotation of an AGB star, R Dor. We measure an angular rotation velocity of ωR sin i = (3.5 ± 0.3) × 10-9 rad s-1, which indicates a rotational velocity of |υrot sin i| = 1.0 ± 0.1 km s-1 at the stellar surface (R* = 31.2 mas at 214 GHz). The rotation axis projected on the plane of the sky has a position angle Φ = 7 ± 6°. We find that the rotation of R Dor is two orders of magnitude faster than expected for a solitary AGB star that will have lost most of its angular momentum. Its rotational velocity is consistent with angular momentum transfer from a close companion. As a companion has not been directly detected, we suggest R Dor has a low-mass, close-in companion. The rotational velocity approaches the critical velocity, set by the local sound speed in the extended envelope, and is thus expected to affect the mass-loss characteristics of R Dor.

Remote Sensing Classification of Grass Seed Cropping Practices in Western Oregon

USDA-ARS?s Scientific Manuscript database

Multiband Landsat images and multi-temporal MODIS 16-day composite NDVI were classified into 16 categories representing the primary crop rotation options and stand establishment conditions present in western Oregon grass seed fields. Mismatch in resolution between MODIS and Landsat data was resolved...

Basin geometry and cumulative offsets in the Eastern Transverse Ranges, southern California: Implications for transrotational deformation along the San Andreas fault system

USGS Publications Warehouse

Langenheim, V.E.; Powell, R.E.

2009-01-01

The Eastern Transverse Ranges, adjacent to and southeast of the big left bend of the San Andreas fault, southern California, form a crustal block that has rotated clockwise in response to dextral shear within the San Andreas system. Previous studies have indicated a discrepancy between the measured magnitudes of left slip on through-going east-striking fault zones of the Eastern Transverse Ranges and those predicted by simple geometric models using paleomagnetically determined clockwise rotations of basalts distributed along the faults. To assess the magnitude and source of this discrepancy, we apply new gravity and magnetic data in combination with geologic data to better constrain cumulative fault offsets and to define basin structure for the block between the Pinto Mountain and Chiriaco fault zones. Estimates of offset from using the length of pull-apart basins developed within left-stepping strands of the sinistral faults are consistent with those derived by matching offset magnetic anomalies and bedrock patterns, indicating a cumulative offset of at most ???40 km. The upper limit of displacements constrained by the geophysical and geologic data overlaps with the lower limit of those predicted at the 95% confidence level by models of conservative slip located on margins of rigid rotating blocks and the clockwise rotation of the paleomagnetic vectors. Any discrepancy is likely resolved by internal deformation within the blocks, such as intense deformation adjacent to the San Andreas fault (that can account for the absence of basins there as predicted by rigid-block models) and linkage via subsidiary faults between the main faults. ?? 2009 Geological Society of America.

Detection of Rotational Spectral Variation on the M-type Asteroid (16) Psyche

NASA Astrophysics Data System (ADS)

Sanchez, Juan A.; Reddy, Vishnu; Shepard, Michael K.; Thomas, Cristina; Cloutis, Edward A.; Takir, Driss; Conrad, Albert; Kiddell, Cain; Applin, Daniel

2017-01-01

The asteroid (16) Psyche is of scientific interest because it contains ˜1% of the total mass of the asteroid belt and is thought to be the remnant metallic core of a protoplanet. Radar observations have indicated the significant presence of metal on the surface with a small percentage of silicates. Prior ground-based observations showed rotational variations in the near-infrared (NIR) spectra and radar albedo of this asteroid. However, no comprehensive study that combines multi-wavelength data has been conducted so far. Here we present rotationally resolved NIR spectra (0.7-2.5 μm) of (16) Psyche obtained with the NASA Infrared Telescope Facility. These data have been combined with shape models of the asteroid for each rotation phase. Spectral band parameters extracted from the NIR spectra show that the pyroxene band center varies from ˜0.92 to 0.94 μm. Band center values were used to calculate the pyroxene chemistry of the asteroid, whose average value was found to be Fs30En65Wo5. Variations in the band depth (BD) were also observed, with values ranging from 1.0% to 1.5%. Using a new laboratory spectral calibration method, we estimated an average orthopyroxene content of 6% ± 1%. The mass-deficit region of Psyche, which exhibits the highest radar albedo, also shows the highest value for the spectral slope and the minimum BD. The spectral characteristics of Psyche suggest that its parent body did not have the typical structure expected for a differentiated body or that the sequence of events that led to its current state was more complex than previously thought.

DETECTION OF ROTATIONAL SPECTRAL VARIATION ON THE M-TYPE ASTEROID (16) PSYCHE

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

Sanchez, Juan A.; Thomas, Cristina; Reddy, Vishnu

The asteroid (16) Psyche is of scientific interest because it contains ∼1% of the total mass of the asteroid belt and is thought to be the remnant metallic core of a protoplanet. Radar observations have indicated the significant presence of metal on the surface with a small percentage of silicates. Prior ground-based observations showed rotational variations in the near-infrared (NIR) spectra and radar albedo of this asteroid. However, no comprehensive study that combines multi-wavelength data has been conducted so far. Here we present rotationally resolved NIR spectra (0.7–2.5 μ m) of (16) Psyche obtained with the NASA Infrared Telescope Facility.more » These data have been combined with shape models of the asteroid for each rotation phase. Spectral band parameters extracted from the NIR spectra show that the pyroxene band center varies from ∼0.92 to 0.94 μ m. Band center values were used to calculate the pyroxene chemistry of the asteroid, whose average value was found to be Fs{sub 30}En{sub 65}Wo{sub 5}. Variations in the band depth (BD) were also observed, with values ranging from 1.0% to 1.5%. Using a new laboratory spectral calibration method, we estimated an average orthopyroxene content of 6% ± 1%. The mass-deficit region of Psyche, which exhibits the highest radar albedo, also shows the highest value for the spectral slope and the minimum BD. The spectral characteristics of Psyche suggest that its parent body did not have the typical structure expected for a differentiated body or that the sequence of events that led to its current state was more complex than previously thought.« less

Resolving mantle structure beneath the Pacific Northwest

NASA Astrophysics Data System (ADS)

Darold, A. P.; Humphreys, E.; Schmandt, B.; Gao, H.

2011-12-01

Cenozoic tectonics of the Pacific Northwest (PNW) and the associated mantle structures are remarkable, the latter revealed only recently by EarthScope seismic data. Over the last ~66 Ma this region experienced a wide range of tectonic and magmatic conditions: Laramide compression, ~75-53 Ma, involving Farallon flat-slab subduction, regional uplift, and magmatic quiescence. With the ~53 Ma accretion of Siletzia ocean lithosphere within the Columbia Embayment, westward migration of subduction beginning Cascadia, along with initiation of the Cascade volcanic arc. Within the continental interior the Laramide orogeny was quickly followed by a period of extension involving metamorphic core complexes and the associated initial ignimbrite flare-up (both in northern Washington, Idaho, and western Montana); interior magmo-tectonic activity is attributed to flat-slab removal and (to the south) slab rollback. Rotation of Siletzia created new crust on SE Oregon and, at ~16 Ma, the Columbia River Flood Basalt (CRB) eruptions renewed vigorous magmatism. We have united several EarthScope studies in the Pacific Northwest and have focused on better resolving the major mantle structures that have been discovered. We have tomographically modeled the body waves with teleseismic, finite-frequency code under the constraints of ambient noise tomography and teleseismic receiver function models of Gao et al. (2011), and teleseismic anisotropy models of Long et al. (2009) in order to resolve structures continuously from the surface to the base of the upper mantle. We now have clear imaging of two episodes of subduction: Juan De Fuca slab deeper than ~250 km is absent across much of the PNW, and it has an E-W tear located beneath northern Oregon; Farallon slab (the "Siletzia curtain") is still present, hanging vertically just inboard of the core complexes, and with a basal tear causing the structure to extend deeper (~600 km) beneath north-central Idaho than beneath south-central Idaho and northern Washington (~300 km). Lying just west of the Siletzia curtain, beneath NE Oregon, is a prominent high-velocity body centered on 250 km depth. Its nearly circular plan view corresponds with the area of intense Columbia River Basalt eruptions and with the circular topographic bull's eye centered on the recently uplifted (post CRB) Wallowa Mountains. Finally, we are investigating a very low-velocity volume of mantle present between the E-W Juan de Fuca tear and the high-velocity body beneath the Wallowa Mountains. At 250 km depth this is the strongest low-velocity anomaly beneath the western U.S. Presently we are completing resolution testing on the structures revealed through our imaging in order to resolve their structural details. These synthetic resolution tests along with the high resolution imaging of the crust and upper mantle will clarify several previously cited structures as well as strengthen our conclusions on the tectonic history and geodynamical evolution of the mantle while aiding in putting together a comprehensive story for the area.

Molecular spectroscopy of CH Cygni in the 1998-2000 active phas

NASA Astrophysics Data System (ADS)

Kotnik-Karuza, D.; Jurdana-Sepic, R.; Majlinger, Z.

The subject of this study is the very peculiar symbiotic binary CH Cygni, in particular the physical conditions in the photosphere of its cool component. The latter has been classified as an M late type giant due to its spectral appearance in the optical and near IR spectral region during quiescent and active phases. Several consecutive spectra obtained with different exposure times covering the region lambda 4800-9000 A were obtained on 24/25 November 1999 which means that they belong to the 1998-2000 active phase. We have concentrated our investigations on the TiO absorption bands which are the most outstanding feature in these spectra. The bands, some of which give evidence of a partly resolved rotational structure, have been identified as members of the alpha, gamma, gamma prim, beta, delta, phi and epsilon band systems. Measurement of the band head relative intensities and some other features in their structure have led to determination of temperatures of the coolest layers in the red giant's photosphere.

Threefold rotational symmetry in hexagonally shaped core-shell (In,Ga)As/GaAs nanowires revealed by coherent X-ray diffraction imaging.

PubMed

Davtyan, Arman; Krause, Thilo; Kriegner, Dominik; Al-Hassan, Ali; Bahrami, Danial; Mostafavi Kashani, Seyed Mohammad; Lewis, Ryan B; Küpers, Hanno; Tahraoui, Abbes; Geelhaar, Lutz; Hanke, Michael; Leake, Steven John; Loffeld, Otmar; Pietsch, Ullrich

2017-06-01

Coherent X-ray diffraction imaging at symmetric hhh Bragg reflections was used to resolve the structure of GaAs/In 0.15 Ga 0.85 As/GaAs core-shell-shell nanowires grown on a silicon (111) substrate. Diffraction amplitudes in the vicinity of GaAs 111 and GaAs 333 reflections were used to reconstruct the lost phase information. It is demonstrated that the structure of the core-shell-shell nanowire can be identified by means of phase contrast. Interestingly, it is found that both scattered intensity in the (111) plane and the reconstructed scattering phase show an additional threefold symmetry superimposed with the shape function of the investigated hexagonal nanowires. In order to find the origin of this threefold symmetry, elasticity calculations were performed using the finite element method and subsequent kinematic diffraction simulations. These suggest that a non-hexagonal (In,Ga)As shell covering the hexagonal GaAs core might be responsible for the observation.

Virus maturation: dynamics and mechanism of a stabilizing structural transition that leads to infectivity.

PubMed

Steven, Alasdair C; Heymann, J Bernard; Cheng, Naiqian; Trus, Benes L; Conway, James F

2005-04-01

For many viruses, the final stage of assembly involves structural transitions that convert an innocuous precursor particle into an infectious agent. This process -- maturation -- is controlled by proteases that trigger large-scale conformational changes. In this context, protease inhibitor antiviral drugs act by blocking maturation. Recent work has succeeded in determining the folds of representative examples of the five major proteins -- major capsid protein, scaffolding protein, portal, protease and accessory protein -- that are typically involved in capsid assembly. These data provide a framework for detailed mechanistic investigations and elucidation of mutations that affect assembly in various ways. The nature of the conformational change has been elucidated: it entails rigid-body rotations and translations of the arrayed subunits that transfer the interactions between them to different molecular surfaces, accompanied by refolding and redeployment of local motifs. Moreover, it has been possible to visualize maturation at the submolecular level in movies based on time-resolved cryo-electron microscopy.

Single Hit Energy-resolved Laue Diffraction

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

Patel, Shamim; Suggit, Matthew J.; Stubley, Paul G.

2015-05-15

In situ white light Laue diffraction has been successfully used to interrogate the structure of single crystal materials undergoing rapid (nanosecond) dynamic compression up to megabar pressures. However, information on strain state accessible via this technique is limited, reducing its applicability for a range of applications. We present an extension to the existing Laue diffraction platform in which we record the photon energy of a subset of diffraction peaks. This allows for a measurement of the longitudinal and transverse strains in situ during compression. Consequently, we demonstrate measurement of volumetric compression of the unit cell, in addition to the limitedmore » aspect ratio information accessible in conventional white light Laue. We present preliminary results for silicon, where only an elastic strain is observed. VISAR measurements show the presence of a two wave structure and measurements show that material downstream of the second wave does not contribute to the observed diffraction peaks, supporting the idea that this material may be highly disordered, or has undergone large scale rotation.« less

Nuclear pore assembly proceeds by an inside-out extrusion of the nuclear envelope

PubMed Central

Otsuka, Shotaro; Bui, Khanh Huy; Schorb, Martin; Hossain, M Julius; Politi, Antonio Z; Koch, Birgit; Eltsov, Mikhail; Beck, Martin; Ellenberg, Jan

2016-01-01

The nuclear pore complex (NPC) mediates nucleocytoplasmic transport through the nuclear envelope. How the NPC assembles into this double membrane boundary has remained enigmatic. Here, we captured temporally staged assembly intermediates by correlating live cell imaging with high-resolution electron tomography and super-resolution microscopy. Intermediates were dome-shaped evaginations of the inner nuclear membrane (INM), that grew in diameter and depth until they fused with the flat outer nuclear membrane. Live and super-resolved fluorescence microscopy revealed the molecular maturation of the intermediates, which initially contained the nuclear and cytoplasmic ring component Nup107, and only later the cytoplasmic filament component Nup358. EM particle averaging showed that the evagination base was surrounded by an 8-fold rotationally symmetric ring structure from the beginning and that a growing mushroom-shaped density was continuously associated with the deforming membrane. Quantitative structural analysis revealed that interphase NPC assembly proceeds by an asymmetric inside-out extrusion of the INM. DOI: http://dx.doi.org/10.7554/eLife.19071.001 PMID:27630123

In situ synthesis and characterization of uranium carbide using high temperature neutron diffraction

NASA Astrophysics Data System (ADS)

Reiche, H. Matthias; Vogel, Sven C.; Tang, Ming

2016-04-01

We investigated the formation of UCx from UO2+x and graphite in situ using neutron diffraction at high temperatures with particular focus on resolving the conflicting reports on the crystal structure of non-quenchable cubic UC2. The agents were UO2 nanopowder, which closely imitates nano grains observed in spent reactor fuels, and graphite powder. In situ neutron diffraction revealed the onset of the UO2 + 2C → UC + CO2 reaction at 1440 °C, with its completion at 1500 °C. Upon further heating, carbon diffuses into the uranium carbide forming C2 groups at the octahedral sites. This resulting high temperature cubic UC2 phase is similar to the NaCl-type structure as proposed by Bowman et al. Our novel experimental data provide insights into the mechanism and kinetics of formation of UC as well as characteristics of the high temperature cubic UC2 phase which agree with proposed rotational rehybridization found from simulations by Wen et al.

Pre-treatment factor structures of the Montgomery and Åsberg Depression Rating scale as predictors of response to escitalopram in Indian patients with non-psychotic major depressive disorder.

PubMed

Basu, Aniruddha; Chadda, Rakesh; Sood, Mamta; Rizwan, S A

2017-08-01

Major Depressive Disorder (MDD) is a broad heterogeneous construct resolving into several symptom-clusters by factor analysis. The aim was to find the factor structures of MDD as per Montgomery and Asberg Depression Rating Scale (MADRS) and whether they predict escitalopram response. In a longitudinal study at a tertiary institute in north India, 116 adult out-patients with non-psychotic unipolar MDD were assessed with MADRS before and after treatment with escitalopram (10-20mg) over 6-8 weeks for drug response. For total 116 patients pre-treatment four factor structures of MADRS extracted by principal component analysis with varimax rotation altogether explained a variance of 57%: first factor 'detachment' (concentration difficulty, lassitude, inability to feel); second factor 'psychic anxiety' (suicidal thoughts and inner tension); third 'mood-pessimism' (apparent sadness, reported sadness, pessimistic thoughts) and fourth 'vegetative' (decreased sleep, appetite). Eighty patients (68.9%) who completed the study had mean age 35.37±10.9 yrs, majority were male (57.5%), with mean pre-treatment MADRS score 28.77±5.18 and majority (65%) having moderate severity (MADRS <30). Among them 56 (70%) responded to escitalopram. At the end of the treatment there were significant changes in all the 4 factor structures (p<0.01). Vegetative function was an important predictor of response (p<0.01, odd's ratio: 1.3 [1.1-1.6] 95% CI). Melancholia significantly predicted non-response (p=0.04). Non-psychotic unipolar major depression having moderate severity in north Indian patients as per MADRS resolved into four factor-structures all significantly improved with adequate escitalopram treatment. Understanding the factor structure is important as they can be important predictor of escitalopram response. Copyright © 2017 Elsevier B.V. All rights reserved.

Structure and mechanism of the ATP synthase membrane motor inferred from quantitative integrative modeling.

PubMed

Leone, Vanessa; Faraldo-Gómez, José D

2016-12-01

Two subunits within the transmembrane domain of the ATP synthase-the c-ring and subunit a-energize the production of 90% of cellular ATP by transducing an electrochemical gradient of H + or Na + into rotational motion. The nature of this turbine-like energy conversion mechanism has been elusive for decades, owing to the lack of definitive structural information on subunit a or its c-ring interface. In a recent breakthrough, several structures of this complex were resolved by cryo-electron microscopy (cryo-EM), but the modest resolution of the data has led to divergent interpretations. Moreover, the unexpected architecture of the complex has cast doubts on a wealth of earlier biochemical analyses conducted to probe this structure. Here, we use quantitative molecular-modeling methods to derive a structure of the a-c complex that is not only objectively consistent with the cryo-EM data, but also with correlated mutation analyses of both subunits and with prior cross-linking and cysteine accessibility measurements. This systematic, integrative approach reveals unambiguously the topology of subunit a and its relationship with the c-ring. Mapping of known Cd 2+ block sites and conserved protonatable residues onto the structure delineates two noncontiguous pathways across the complex, connecting two adjacent proton-binding sites in the c-ring to the space on either side of the membrane. The location of these binding sites and of a strictly conserved arginine on subunit a, which serves to prevent protons from hopping between them, explains the directionality of the rotary mechanism and its strict coupling to the proton-motive force. Additionally, mapping of mutations conferring resistance to oligomycin unexpectedly reveals that this prototypical inhibitor may bind to two distinct sites at the a-c interface, explaining its ability to block the mechanism of the enzyme irrespective of the direction of rotation of the c-ring. In summary, this study is a stepping stone toward establishing the mechanism of the ATP synthase at the atomic level.

Microwave Spectrum and Structure of the Methane-Propane Complex

NASA Astrophysics Data System (ADS)

Peterson, Karen I.; Lin, Wei; Arsenault, Eric A.; Choi, Yoon Jeong; Novick, Stewart E.

2017-06-01

Methane is exceptional in its solid-phase orientational disorder that persists down to 24 K. Only below that temperature does the structure become partially ordered, and full crystallinity requires even lower temperatures and high pressures. Not surprisingly, methane appears to freely rotate in most van der Waals complexes, although two notable exceptions are CH_4-HF and CH_4-C_5H_5N. Of interest to us is how alkane interactions affect the methane rotation. Except for CH_4-CH_4, rotationally-resolved spectra of alkane-alkane complexes have not been studied. To fill this void, we present the microwave spectrum of CH_4-C_3H_8 which is the smallest alkane complex with a practical dipole moment. The microwave spectrum of CH_4-C_3H_8 was measured using the Fourier Transform microwave spectrometer at Wesleyan University. In the region between 7100 and 25300 MHz, we observed approximately 70 transitions that could plausibly be attributed to the CH_4-C_3H_8 complex (requiring high power and the proper mixture of gases). Of these, 16 were assigned to the A-state (lowest internal rotor state of methane) and four to the F-state. The A-state transitions were fitted with a Watson Hamiltonian using nine spectroscopic constants of which A = 7553.8144(97) MHz, B = 2483.9183(35) MHz, and C = 2041.8630(21) MHz. The A rotational constant is only 1.5 MHz higher than that of Ar-C_3H_8 and, since the a-axis of the complex passes approximately through the centers of mass of the subunits, this indicates a similar relative orientation. Thus, we find that the CH_4 is located above the plane of the propane. The center-of-mass separation of the subunits in CH_4-C_3H_8 is calculated to be 3.993 Å, 0.16 Å longer than the Ar-C_3H_8 distance of 3.825 Å, a reasonable difference considering the larger van der Waals radius of CH_4. The four F-state lines, which were about twice as strong as the A-state lines, could be fitted to A, B, and C rotational constants, and further analysis is in progress.

Density Effects on Post-shock Turbulence Structure

NASA Astrophysics Data System (ADS)

Tian, Yifeng; Jaberi, Farhad; Livescu, Daniel; Li, Zhaorui; Michigan State University Collaboration; Los Alamos National Laboratory Collaboration; Texas A&M University-Corpus Christi Collaboration

2017-11-01

The effects of density variations due to mixture composition on post-shock turbulence structure are studied using turbulence-resolving shock-capturing simulations. This work extends the canonical Shock-Turbulence Interaction (STI) problem to involve significant variable density effects. The numerical method has been verified using a series of grid and LIA convergence tests, and is used to generate accurate post-shock turbulence data for a detailed flow study. Density effects on post-shock turbulent statistics are shown to be significant, leading to an increased amplification of turbulent kinetic energy (TKE). Eulerian and Lagrangian analyses show that the increase in the post-shock correlation between rotation and strain is weakened in the case with significant density variations (referred to as the ``multi-fluid'' case). Similar to previous single-fluid results and LIA predictions, the shock wave significantly changes the topology of the turbulent structures, exhibiting a symmetrization of the joint PDF of second and third invariant of the deviatoric part of velocity gradient tensor. In the multi-fluid case, this trend is more significant and mainly manifested in the heavy fluid regions. Lagrangian data are also used to study the evolution of turbulence structure away from the shock wave and assess the accuracy of Lagrangian dynamical models.

Geometric approach to the design of an imaging probe to evaluate the iridocorneal angle structures

NASA Astrophysics Data System (ADS)

Hong, Xun Jie Jeesmond; V. K., Shinoj; Murukeshan, V. M.; Baskaran, M.; Aung, Tin

2017-06-01

Photographic imaging methods allow the tracking of anatomical changes in the iridocorneal angle structures and the monitoring of treatment responses overtime. In this work, we aim to design an imaging probe to evaluate the iridocorneal angle structures using geometrical optics. We first perform an analytical analysis on light propagation from the anterior chamber of the eye to the exterior medium using Snell's law. This is followed by adopting a strategy to achieve uniform near field irradiance, by simplifying the complex non-rotational symmetric irradiance distribution of LEDs tilted at an angle. The optimization is based on the geometric design considerations of an angled circular ring array of 4 LEDs (or a 2 × 2 square LED array). The design equation give insights on variable parameters such as the illumination angle of the LEDs, ring array radius, viewing angle of the LEDs, and the working distance. A micro color CCD video camera that has sufficient resolution to resolve the iridocorneal angle structures at the required working distance is then chosen. The proposed design aspects fulfil the safety requirements recommended by the International Commission on Non-ionizing Radiation Protection.

Cooling for a rotating anode X-ray tube

DOEpatents

Smither, Robert K.

1998-01-01

A method and apparatus for cooling a rotating anode X-ray tube. An electromagnetic motor is provided to rotate an X-ray anode with cooling passages in the anode. These cooling passages are coupled to a cooling structure located adjacent the electromagnetic motor. A liquid metal fills the passages of the cooling structure and electrical power is provided to the motor to rotate the anode and generate a rotating magnetic field which moves the liquid metal through the cooling passages and cooling structure.

Solute Dynamics In Liquid Systems: Experiments and Molecular Dynamics Simulations

NASA Astrophysics Data System (ADS)

Rumble, Christopher A.

This work reports on explorations into the effect of the liquid environment on the dynamics and kinetics of a range solute processes. The first study (Chapter 3) explores the photoisomerization of the rotor probe 9-(2-carboxy-2-cyanovinyl)julolidine, or CCVJ. Rotor probes are a class of fluorophores that undergo photo-induced isomerization reactions resulting in non-radiative relaxation out of the excited state. Literature reports had suggested that CCVJ exhibited a 'flow effect,' in which the emission intensity of CCVJ increases when the fluorophore solution is flowed at modest rates. Using steady-state and time-resolved fluorescence and 1H-NMR spectroscopy we show that the flow effect can be attributed to creation of a mixture of fluorescent and non-fluorescent CCVJ isomers by the excitation. The next study, Chapter 4, examines the the fluorescence of DNA G-quadruplex structures (GQSs), non-helical single-stranded DNA structures that exhibit quantum yields significantly higher than helical DNA or its constituent bases. By using a constant GQS core sequence we show that the addition of 'dangling' nucleotides can modulate emission from the GQS whereas conventional quenchers do not. The emission can also be altered by changes in temperature and addition of crowding reagents such as poly(ethylene glycol). Using time-resolved emission spectroscopy we show that GQS emission can be approximately dissected into two emitting populations with distinct kinetics. Chapters 5 and 6 report on the effects of solvation on charge transfer reactions in conventional molecular solvents and ionic liquid/conventional solvent mixtures. In Chapter 5 the excited state intramolecular proton transfer reaction of 40-N,N-diethylamino-3-hydroxyflavone (DEAHF) is studied using sub-picosecond Kerr-gated emission spectroscopy in mixtures of acetonitrile and propylene carbonate. Previous studies of DEAHF tautomerization had shown that the proton transfer rate and equilibrium constant are highly dependent on both solvation dynamics and solvent polarity. Using acetonitrile/propylene carbonate mixtures, which have nearly identical polarity but have solvation times that vary over an order of magnitude, we were able to demonstrate that fast solvation dynamics introduces a barrier to the reaction and slows down the proton transfer rate. In Chapter 6 the intramolecular electron transfer reaction of 9-(4-biphenyl)-10-methylacridinium (BPAc+) is studied in mixtures of an ionic liquid and acetonitrile. Using KGE and picosecond time-correlated single photon counting measurements we show that the BPAc+ electron transfer rate is highly correlated with the mixture solvation time, consistent with rates observed in conventional solvents. Finally, Chapters 7 and 8 are an exploration of solute rotational dynamics in ionic liquids (ILs). Solute rotations in these unique solvents have been shown to be non-diffusive and poorly predicted by hydrodynamic theories of friction. We set out to explore the mechanisms of solute rotation in ILs using a combination of experimental methods and molecular dynamics (MD) simulations. In Chapter 7 the rotational dynamics of benzene and the IL cation 1- ethyl-3-methylimidizolium are studied using a combination of 2H longitudinal spin relaxation (T1) measurements and MD simulations. Using the simulations for guidance, we were able to interpret T1 measurements outside of the extreme narrowing limit. After the realism of the simulations was validated, they were then used to show that benzene exhibits markedly different dynamics for 'spinning' about the C6 symmetry axis and 'tumbling' (rotation of the C6 axis), and that large amplitude jump motions and orientational caging are prominent features of benzene's rotations in ILs. Chapter 8 extends the benzene work to examine the effect of molecular size and charge distribution on solute rotational dynamics in ILs. Combining fluorescence anisotropy and T1 relaxation measurements with MD simulations of a carefully chosen set of probe molecules we show that molecular charge has only a modest effect of friction experienced by a rotating solute, whereas an increase in molecular size results in a substantial increase in rotation times. After validation of the simulations, we showed that large amplitude jumps and orientational caging dynamics, similar to what was observed with benzene, are also present in these solutes.

Digital resolver for helicopter model blade motion analysis

NASA Technical Reports Server (NTRS)

Daniels, T. S.; Berry, J. D.; Park, S.

1992-01-01

The paper reports the development and initial testing of a digital resolver to replace existing analog signal processing instrumentation. Radiometers, mounted directly on one of the fully articulated blades, are electrically connected through a slip ring to analog signal processing circuitry. The measured signals are periodic with azimuth angle and are resolved into harmonic components, with 0 deg over the tail. The periodic nature of the helicopter blade motion restricts the frequency content of each flapping and yaw signal to the fundamental and harmonics of the rotor rotational frequency. A minicomputer is employed to collect these data and then plot them graphically in real time. With this and other information generated by the instrumentation, a helicopter test pilot can then adjust the helicopter model's controls to achieve the desired aerodynamic test conditions.

Interference-free gas-phase thermometry at elevated pressure using hybrid femtosecond/picosecond rotational coherent anti-Stokes Raman scattering.

PubMed

Miller, Joseph D; Dedic, Chloe E; Roy, Sukesh; Gord, James R; Meyer, Terrence R

2012-02-27

Rotational-level-dependent dephasing rates and nonresonant background can lead to significant uncertainties in coherent anti-Stokes Raman scattering (CARS) thermometry under high-pressure, low-temperature conditions if the gas composition is unknown. Hybrid femtosecond/picosecond rotational CARS is employed to minimize or eliminate the influence of collisions and nonresonant background for accurate, frequency-domain thermometry at elevated pressure. The ability to ignore these interferences and achieve thermometric errors of <5% is demonstrated for N2 and O2 at pressures up to 15 atm. Beyond 15 atm, the effects of collisions cannot be ignored but can be minimized using a short probe delay (~6.5 ps) after Raman excitation, thereby improving thermometric accuracy with a time- and frequency-resolved theoretical model.

Sex differences in mental rotation tasks: Not just in the mental rotation process!

PubMed

Boone, Alexander P; Hegarty, Mary

2017-07-01

The paper-and-pencil Mental Rotation Test (Vandenberg & Kuse, 1978) consistently produces large sex differences favoring men (Voyer, Voyer, & Bryden, 1995). In this task, participants select 2 of 4 answer choices that are rotations of a probe stimulus. Incorrect choices (i.e., foils) are either mirror reflections of the probe or structurally different. In contrast, in the mental rotation experimental task (Shepard & Metzler, 1971) participants judge whether 2 stimuli are the same but rotated or different by mirror reflection. The goal of the present research was to examine sources of sex differences in mental rotation, including the ability to capitalize on the availability of structure foils. In 2 experiments, both men and women had greater accuracy and faster reaction times (RTs) for structurally different compared with mirror foils in different versions of the Vandenberg and Kuse Mental Rotation Test (Experiment 1) and the Shepard and Metzler experimental task (Experiment 2). A significant male advantage in accuracy but not response time was found for both trial types. The male advantage was evident when all foils were structure foils so that mental rotation was not necessary (Experiment 3); however, when all foils were structure foils and participants were instructed to look for structure foils a significant sex difference was no longer evident (Experiment 4). Results suggest that the mental rotation process is not the only source of the sex difference in mental rotation tasks. Alternative strategy use is another source of sex differences in these tasks. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

Synchronizing Photography For High-Speed-Engine Research

NASA Technical Reports Server (NTRS)

Chun, K. S.

1989-01-01

Light flashes when shaft reaches predetermined angle. Synchronization system facilitates visualization of flow in high-speed internal-combustion engines. Designed for cinematography and holographic interferometry, system synchronizes camera and light source with predetermined rotational angle of engine shaft. 10-bit resolution of absolute optical shaft encoder adapted, and 2 to tenth power combinations of 10-bit binary data computed to corresponding angle values. Pre-computed angle values programmed into EPROM's (erasable programmable read-only memories) to use as angle lookup table. Resolves shaft angle to within 0.35 degree at rotational speeds up to 73,240 revolutions per minute.

Bifurcation of rotating liquid drops: Results from USML-1 experiments in space

NASA Technical Reports Server (NTRS)

Wang, Taylor G.; Anilkumar, A. V.; Lee, C. P.; Lin, K. C.

1994-01-01

Experiments on rotational bifurcation of liquid drops, in which the drops were levitated and spun using acoustic fields in a low-gravity environment, were conducted during the first United States Microgravity Laboratory (USML-1) Space Shuttle flight. The experiments have successfully resolved the discrepancies existing between the previous experimental results and the theoretical predictions. In the case of a spherical drop, for which theory exists, the results agree well with the predictions. In the case of flattened drops, the experiments have extablished a family of curves, with the spherical drop as the limiting case.

Stellar Ro

NASA Astrophysics Data System (ADS)

Featherstone, Nicholas

2017-05-01

Our understanding of the interior dynamics that give rise to a stellar dynamo draws heavily from investigations of similar dynamics in the solar context. Unfortunately, an outstanding gap persists in solar dynamo theory. Convection, an indispensable component of the dynamo, occurs in the midst of rotation, and yet we know little about how the influence of that rotation manifests across the broad range of convective scales present in the Sun. We are nevertheless well aware that the interaction of rotation and convection profoundly impacts many aspects of the dynamo, including the meridional circulation, the differential rotation, and the helicity of turbulent EMF. The rotational constraint felt by solar convection ultimately hinges on the characteristic amplitude of deep convective flow speeds, and such flows are difficult to measure helioseismically. Those measurements of deep convective power which do exist disagree by orders of magnitude, and until this disagreement is resolved, we are left with the results of models and those less ambiguous measurements derived from surface observations of solar convection. I will present numerical results from a series of nonrotating and rotating convection simulations conducted in full 3-D spherical geometry. This presentation will focus on how convective spectra differ between the rotating and non-rotating models and how that behavior changes as simulations are pushed toward more turbulent and/or more rotationally-constrained regimes. I will discuss how the surface signature of rotationally-constrained interior convection might naturally lead to observable signatures in the surface convective pattern, such as supergranulation and a dearth of giant cells.

An advanced NMR protocol for the structural characterization of aluminophosphate glasses.

PubMed

van Wüllen, Leo; Tricot, Grégory; Wegner, Sebastian

2007-10-01

In this work a combination of complementary advanced solid-state nuclear magnetic resonance (NMR) strategies is employed to analyse the network organization in aluminophosphate glasses to an unprecedented level of detailed insight. The combined results from MAS, MQMAS and (31)P-{(27)Al}-CP-heteronuclear correlation spectroscopy (HETCOR) NMR experiments allow for a detailed speciation of the different phosphate and aluminate species present in the glass. The interconnection of these local building units to an extended three-dimensional network is explored employing heteronuclear dipolar and scalar NMR approaches to quantify P-O-Al connectivity by (31)P{(27)Al}-heteronuclear multiple quantum coherence (HMQC), -rotational echo adiabatic passage double resonance (REAPDOR) and -HETCOR NMR as well as (27)Al{(31)P}-rotational echo double resonance (REDOR) NMR experiments, complemented by (31)P-2D-J-RESolved MAS NMR experiments to probe P-O-P connectivity utilizing the through bond scalar J-coupling. The combination of the results from the various NMR approaches enables us to not only quantify the phosphate units present in the glass but also to identify their respective structural environments within the three-dimensional network on a medium length scale employing a modified Q notation, Q(n)(m),(AlO)(x), where n denotes the number of connected tetrahedral phosphate, m gives the number of aluminate species connected to a central phosphate unit and x specifies the nature of the bonded aluminate species (i.e. 4, 5 or 6 coordinate aluminium).

A relation between the characteristic stellar ages of galaxies and their intrinsic shapes

NASA Astrophysics Data System (ADS)

van de Sande, Jesse; Scott, Nicholas; Bland-Hawthorn, Joss; Brough, Sarah; Bryant, Julia J.; Colless, Matthew; Cortese, Luca; Croom, Scott M.; d'Eugenio, Francesco; Foster, Caroline; Goodwin, Michael; Konstantopoulos, Iraklis S.; Lawrence, Jon S.; McDermid, Richard M.; Medling, Anne M.; Owers, Matt S.; Richards, Samuel N.; Sharp, Rob

2018-06-01

Stellar population and stellar kinematic studies provide unique but complementary insights into how galaxies build-up their stellar mass and angular momentum1-3. A galaxy's mean stellar age reveals when stars were formed, but provides little constraint on how the galaxy's mass was assembled. Resolved stellar dynamics4 trace the change in angular momentum due to mergers, but major mergers tend to obscure the effect of earlier interactions5. With the rise of large multi-object integral field spectroscopic surveys, such as SAMI6 and MaNGA7, and single-object integral field spectroscopic surveys (for example, ATLAS3D (ref. 8), CALIFA9, MASSIVE10), it is now feasible to connect a galaxy's star formation and merger history on the same resolved physical scales, over a large range in galaxy mass, morphology and environment4,11,12. Using the SAMI Galaxy Survey, here we present a combined study of spatially resolved stellar kinematics and global stellar populations. We find a strong correlation of stellar population age with location in the (V/σ, ɛe) diagram that links the ratio of ordered rotation to random motions in a galaxy to its observed ellipticity. For the large majority of galaxies that are oblate rotating spheroids, we find that characteristic stellar age follows the intrinsic ellipticity of galaxies remarkably well.

Beyond Conceptual Knowledge: The Impact of Children’s Theory-of-Mind on Dyadic Spatial Tasks

PubMed Central

Viana, Karine M. P.; Zambrana, Imac M.; Karevold, Evalill B.; Pons, Francisco

2016-01-01

Recent studies show that Theory of Mind (ToM) has implications for children’s social competences and psychological well-being. Nevertheless, although it is well documented that children overall take advantage when they have to resolve cognitive problems together with a partner, whether individual difference in ToM is one of the mechanisms that could explain cognitive performances produced in social interaction has received little attention. This study examines to what extent ToM explains children’s spatial performances in a dyadic situation. The sample includes 66 boys and girls between the ages of 5–9 years, who were tested for their ToM and for their competence to resolve a Spatial task involving mental rotation and spatial perspective taking, first individually and then in a dyadic condition. Results showed, in accordance with previous research, that children performed better on the Spatial task when they resolved it with a partner. Specifically, children’s ToM was a better predictor of their spatial performances in the dyadic condition than their age, gender, and spatial performances in the individual setting. The findings are discussed in terms of the relation between having a conceptual understanding of the mind and the practical implications of this knowledge for cognitive performances in social interaction regarding mental rotation and spatial perspective taking. PMID:27812344

A relation between the characteristic stellar ages of galaxies and their intrinsic shapes

NASA Astrophysics Data System (ADS)

van de Sande, Jesse; Scott, Nicholas; Bland-Hawthorn, Joss; Brough, Sarah; Bryant, Julia J.; Colless, Matthew; Cortese, Luca; Croom, Scott M.; d'Eugenio, Francesco; Foster, Caroline; Goodwin, Michael; Konstantopoulos, Iraklis S.; Lawrence, Jon S.; McDermid, Richard M.; Medling, Anne M.; Owers, Matt S.; Richards, Samuel N.; Sharp, Rob

2018-04-01

Stellar population and stellar kinematic studies provide unique but complementary insights into how galaxies build-up their stellar mass and angular momentum1-3. A galaxy's mean stellar age reveals when stars were formed, but provides little constraint on how the galaxy's mass was assembled. Resolved stellar dynamics4 trace the change in angular momentum due to mergers, but major mergers tend to obscure the effect of earlier interactions5. With the rise of large multi-object integral field spectroscopic surveys, such as SAMI6 and MaNGA7, and single-object integral field spectroscopic surveys (for example, ATLAS3D (ref. 8), CALIFA9, MASSIVE10), it is now feasible to connect a galaxy's star formation and merger history on the same resolved physical scales, over a large range in galaxy mass, morphology and environment4,11,12. Using the SAMI Galaxy Survey, here we present a combined study of spatially resolved stellar kinematics and global stellar populations. We find a strong correlation of stellar population age with location in the (V/σ, ɛe) diagram that links the ratio of ordered rotation to random motions in a galaxy to its observed ellipticity. For the large majority of galaxies that are oblate rotating spheroids, we find that characteristic stellar age follows the intrinsic ellipticity of galaxies remarkably well.

A rigidly rotating magnetosphere model for circumstellar emission from magnetic OB stars

NASA Astrophysics Data System (ADS)

Townsend, R. H. D.; Owocki, S. P.

2005-02-01

We present a semi-analytical approach for modelling circumstellar emission from rotating hot stars with a strong dipole magnetic field tilted at an arbitrary angle to the rotation axis. By assuming the rigid-field limit in which material driven (e.g. in a wind outflow) from the star is forced to remain in strict rigid-body corotation, we are able to solve for the effective centrifugal-plus-gravitational potential along each field line, and thereby identify the location of potential minima where material is prone to accumulate. Applying basic scalings for the surface mass flux of a radiatively driven stellar wind, we calculate the circumstellar density distribution that obtains once ejected plasma settles into hydrostatic stratification along field lines. The resulting accumulation surface resembles a rigidly rotating, warped disc, tilted such that its average surface normal lies between the rotation and magnetic axes. Using a simple model of the plasma emissivity, we calculate time-resolved synthetic line spectra for the disc. Initial comparisons show an encouraging level of correspondence with the observed rotational phase variations of Balmer-line emission profiles from magnetic Bp stars such as σ Ori E.

DETECTING EXOMOONS AROUND SELF-LUMINOUS GIANT EXOPLANETS THROUGH POLARIZATION.

PubMed

Sengupta, Sujan; Marley, Mark S

2016-01-01

Many of the directly imaged self-luminous gas giant exoplanets have been found to have cloudy atmospheres. Scattering of the emergent thermal radiation from these planets by the dust grains in their atmospheres should locally give rise to significant linear polarization of the emitted radiation. However, the observable disk averaged polarization should be zero if the planet is spherically symmetric. Rotation-induced oblateness may yield a net non-zero disk averaged polarization if the planets have sufficiently high spin rotation velocity. On the other hand, when a large natural satellite or exomoon transits a planet with cloudy atmosphere along the line of sight, the asymmetry induced during the transit should give rise to a net non-zero, time resolved linear polarization signal. The peak amplitude of such time dependent polarization may be detectable even for slowly rotating exoplanets. Therefore, we suggest that large exomoons around directly imaged self-luminous exoplanets may be detectable through time resolved imaging polarimetry. Adopting detailed atmospheric models for several values of effective temperature and surface gravity which are appropriate for self-luminous exoplanets, we present the polarization profiles of these objects in the infrared during transit phase and estimate the peak amplitude of polarization that occurs during the inner contacts of the transit ingress/egress phase. The peak polarization is predicted to range between 0.1 and 0.3 % in the infrared.

DETECTING EXOMOONS AROUND SELF-LUMINOUS GIANT EXOPLANETS THROUGH POLARIZATION

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

Sengupta, Sujan; Marley, Mark S., E-mail: sujan@iiap.res.in, E-mail: Mark.S.Marley@NASA.gov

Many of the directly imaged self-luminous gas-giant exoplanets have been found to have cloudy atmospheres. Scattering of the emergent thermal radiation from these planets by the dust grains in their atmospheres should locally give rise to significant linear polarization of the emitted radiation. However, the observable disk-averaged polarization should be zero if the planet is spherically symmetric. Rotation-induced oblateness may yield a net non-zero disk-averaged polarization if the planets have sufficiently high spin rotation velocity. On the other hand, when a large natural satellite or exomoon transits a planet with a cloudy atmosphere along the line of sight, the asymmetrymore » induced during the transit should give rise to a net non-zero, time-resolved linear polarization signal. The peak amplitude of such time-dependent polarization may be detectable even for slowly rotating exoplanets. Therefore, we suggest that large exomoons around directly imaged self-luminous exoplanets may be detectable through time-resolved imaging polarimetry. Adopting detailed atmospheric models for several values of effective temperature and surface gravity that are appropriate for self-luminous exoplanets, we present the polarization profiles of these objects in the infrared during the transit phase and estimate the peak amplitude of polarization that occurs during the inner contacts of the transit ingress/egress phase. The peak polarization is predicted to range between 0.1% and 0.3% in the infrared.« less

Detecting Exomoons Around Self-Luminous Giant Exoplanets Through Polarization

NASA Technical Reports Server (NTRS)

Sengupta, Sujan; Marley, Mark Scott

2016-01-01

Many of the directly imaged self-luminous gas giant exoplanets have been found to have cloudy atmo- spheres. Scattering of the emergent thermal radiation from these planets by the dust grains in their atmospheres should locally give rise to significant linear polarization of the emitted radiation. However, the observable disk averaged polarization should be zero if the planet is spherically symmetric. Rotation-induced oblateness may yield a net non-zero disk averaged polarization if the planets have sufficiently high spin rotation velocity. On the other hand, when a large natural satellite or exomoon transits a planet with cloudy atmosphere along the line of sight, the asymmetry induced during the transit should give rise to a net non-zero, time resolved linear polarization signal. The peak amplitude of such time dependent polarization may be detectable even for slowly rotating exoplanets. Therefore, we suggest that large exomoons around directly imaged self-luminous exoplanets may be detectable through time resolved imaging polarimetry. Adopting detailed atmospheric models for several values of effective temperature and surface gravity which are appropriate for self-luminous exoplanets, we present the polarization profiles of these objects in the infrared during transit phase and estimate the peak amplitude of polarization that occurs during the the inner contacts of the transit ingress/egress phase. The peak polarization is predicted to range between 0.1 and 0.3 % in the infrared.

DETECTING EXOMOONS AROUND SELF-LUMINOUS GIANT EXOPLANETS THROUGH POLARIZATION

PubMed Central

Sengupta, Sujan; Marley, Mark S.

2017-01-01

Many of the directly imaged self-luminous gas giant exoplanets have been found to have cloudy atmospheres. Scattering of the emergent thermal radiation from these planets by the dust grains in their atmospheres should locally give rise to significant linear polarization of the emitted radiation. However, the observable disk averaged polarization should be zero if the planet is spherically symmetric. Rotation-induced oblateness may yield a net non-zero disk averaged polarization if the planets have sufficiently high spin rotation velocity. On the other hand, when a large natural satellite or exomoon transits a planet with cloudy atmosphere along the line of sight, the asymmetry induced during the transit should give rise to a net non-zero, time resolved linear polarization signal. The peak amplitude of such time dependent polarization may be detectable even for slowly rotating exoplanets. Therefore, we suggest that large exomoons around directly imaged self-luminous exoplanets may be detectable through time resolved imaging polarimetry. Adopting detailed atmospheric models for several values of effective temperature and surface gravity which are appropriate for self-luminous exoplanets, we present the polarization profiles of these objects in the infrared during transit phase and estimate the peak amplitude of polarization that occurs during the inner contacts of the transit ingress/egress phase. The peak polarization is predicted to range between 0.1 and 0.3 % in the infrared. PMID:29430024

Clockwise rotation and implications for northward drift of the western Transverse Ranges from paleomagnetism of the Piuma Member, Sespe Formation, near Malibu, California

USGS Publications Warehouse

Hillhouse, John W.

2010-01-01

New paleomagnetic results from mid-Tertiary sedimentary beds in the Santa Monica Mountains reinforce the evidence for large-scale rotation of the western Transverse Ranges, and anisotropy measurements indicate that compaction-induced inclination flattening may resolve a long-standing controversy regarding the original paleolatitude of the rotated block. Previously published paleomagnetic data indicate that post-Oligocene rotation amounts to 70°–110° clockwise, affecting the Channel Islands, Santa Monica Mountains, and Santa Ynez Mountains. The Sespe Formation near Malibu consists of a lower member dominated by nonmarine sandstone and conglomerate and an upper section, the Piuma Member, which consists of gray-red sandstone and mudstone interbedded with minor tuff and limestone beds. The Piuma Member has a paleomagnetic pole at 36.6°N, 326.7°E (A95min = 5.0°, A95max = 9.6°), obtained by thermal demagnetization of 34 oriented cores from Oligocene and early Miocene beds. After correcting for plunge of the geologic structure, the data are consistent with significant clockwise rotation (77° ± 7°) of the region relative to stable North America. Rotation of the western Transverse Ranges is generally viewed as a consequence of Pacific–North American plate interactions after 28 Ma, when east–west subduction gave way to northwest transform motion in southern California. Inclinations from the Piuma study indicate a paleolatitude anomaly of 11° ± 7° and are consistent with a mean northward drift that exceeds generally accepted San Andreas fault displacement by a factor of 3. However, sedimentary inclination error may accentuate the anomaly. Anisotropy of isothermal remanent magnetization indicates inclination flattening of approximately 8°, and correction for the effect reduces the paleolatitude anomaly to 5.3° ± 5.8°. Compaction may explain the inclination flattening in these sedimentary rocks, but the process does not adequately explain lower-than-expected inclinations found in previous studies of Miocene volcanic rocks of the western Transverse Ranges.

Influence of solute charge and pyrrolidinium ionic liquid alkyl chain length on probe rotational reorientation dynamics.

PubMed

Guo, Jianchang; Mahurin, Shannon M; Baker, Gary A; Hillesheim, Patrick C; Dai, Sheng; Shaw, Robert W

2014-01-30

In recent years, the effect of molecular charge on the rotational dynamics of probe solutes in room-temperature ionic liquids (RTILs) has been a subject of growing interest. For the purpose of extending our understanding of charged solute behavior within RTILs, we have studied the rotational dynamics of three illustrative xanthene fluorescent probes within a series of N-alkylpyrrolidinium bis(trifluoromethylsulfonyl)imide ([Cnmpyr][Tf2N]) RTILs with different n-alkyl chain lengths (n = 3, 4, 6, 8, or 10) using time-resolved fluorescence anisotropy decay. The rotational dynamics of the neutral probe rhodamine B (RhB) dye lies between the stick and slip boundary conditions due to the influence of specific hydrogen bonding interactions. The rotation of the negatively charged sulforhodamine 640 (SR640) is slower than that of its positively charged counterpart rhodamine 6G (R6G). An analysis based upon Stokes-Einstein-Debye hydrodynamics indicates that SR640 adheres to stick boundary conditions due to specific interactions, whereas the faster rotation of R6G is attributed to weaker electrostatic interactions. No significant dependence of the rotational dynamics on the solvent alkyl chain length was observed for any of the three dyes, suggesting that the specific interactions between dyes and RTILs are relatively independent of this solvent parameter.

Translation and Rotation Trade Off in Human Visual Heading Estimation

NASA Technical Reports Server (NTRS)

Stone, Leland S.; Perrone, John A.; Null, Cynthia H. (Technical Monitor)

1996-01-01

We have previously shown that, during simulated curvilinear motion, humans can make reasonably accurate and precise heading judgments from optic flow without either oculomotor or static-depth cues about rotation. We now systematically investigate the effect of varying the parameters of self-motion. We visually simulated 400 ms of self-motion along curved paths (constant rotation and translation rates, fixed retinocentric heading) towards two planes of random dots at 10.3 m and 22.3 m at mid-trial. Retinocentric heading judgments of 4 observers (2 naive) were measured for 12 different combinations of translation (T between 4 and 16 m/s) and rotation (R either 8 or 16 deg/s). In the range tested, heading bias and uncertainty decrease quasilinearly with T/R, but the bias also appears to depend on R. If depth is held constant, the ratio T/R can account for much of the variation in the accuracy and precision of human visual heading estimation, although further experiments are needed to resolve whether absolute rotation rate, total flow rate, or some other factor can account for the observed -2 deg shift between the bias curves.

Vertical Shear of the Galactic Interstellar Medium

NASA Technical Reports Server (NTRS)

Benjamin, Robert A.

2000-01-01

The detection of UV absorption, 21 cm, H alpha and other diffuse optical emission lines from gas up to ten kiloparsecs above the plane of the Milky Way and other galaxies provides the first, opportunity to probe the rotational properties of the ionized "atmospheres" of galaxies. This rotation has implications for our understanding of the Galactic gravitational potential, angular momentum transport in the Galactic disk, and the maintenance of a Galactic dynamo. The available evidence indicates that gas rotates nearly cylindrically up to a few kiloparsecs. This is in contrast to the expectation that there should be a significant gradient in rotation speed as a function of height assuming a reasonable mass model for the Galaxy. For example, for a vertical cut at galactocentric radius R = 5 kpc in NGC 891 by Rand, the rotation speed is observed to drop by approximately 30 kilometers per second from z = 1 to 5 kpc and is expected to drop by 80 kilometers per second. Magnetic tension forces may resolve this discrepancy. Other possibilities will be examined in the near future.

Highly Resolved Studies of Vacuum Ultraviolet Photoionization Dynamics

NASA Astrophysics Data System (ADS)

Kakar, Sandeep

We use measurements of dispersed fluorescence from electronically excited photoions to study fundamental aspects of intramolecular dynamics. Our experimental innovations make it possible to obtain highly resolved photoionization data that offer qualitative insights into molecular scattering. In particular, we obtain vibrationally resolved data to probe coupling between the electronic and nuclear degrees of freedom by studying the distribution of vibrational energy among photoions. Vibrationally resolved branching ratios are measured over a broad spectral range of excitation energy and their non-Franck-Condon behavior is used as a tool to investigate two diverse aspects of shape resonant photoionization. First, vibrational branching ratios are obtained for the SiF_4 5a _1^{-1} and CS_2 5sigma_{rm u} ^{-1} photoionization channels to help elucidate the microscopic aspects of shape resonant wavefunction for polyatomic molecules. It is shown that in such molecules the shape resonant wavefunction is not necessarily attributable to a specific bond in the molecule. Second, the multichannel aspect of shape resonant photoionization dynamics, reflected in continuum channel coupling, is investigated by obtaining vibrational branching ratios for the 2 sigma_{rm u}^{ -1} and 4sigma^{ -1} photoionization of the isoelectronic molecules N_2 and CO, respectively. These data indicate that effects of continuum coupling may be widespread. We also present the first set of rotationally resolved data over a wide energy range for the 2 sigma_{rm u}^{ -1} photoionization of N_2. These data probe the partitioning of the angular momentum between the photoelectron and photoion, and highlight the multicenter nature of the molecular potential. These case studies illustrate the utility of dispersed fluorescence measurements as a complement to photoelectron spectroscopy for obtaining highly resolved data for molecular photoionization. These measurements makes it possible to probe intrinsically molecular aspects, such as the vibration and rotation, of photoionization dynamics over an extended spectral range when used in conjunction with synchrotron radiation as the exciting source. Furthermore, the high resolution made possible by this technique provides high selectivity for accessing weaker ionization channels which are the ones strongly affected by resonant activity, and the present study repeatedly stresses the importance of this capability in discovering and deciphering new trends in resonant molecular ionization dynamics.

Jupiter Down Under

NASA Image and Video Library

2016-09-02

This image from NASA's Juno spacecraft provides a never-before-seen perspective on Jupiter's south pole. The JunoCam instrument acquired the view on August 27, 2016, when the spacecraft was about 58,700 miles (94,500 kilometers) above the polar region. At this point, the spacecraft was about an hour past its closest approach, and fine detail in the south polar region is clearly resolved. Unlike the equatorial region's familiar structure of belts and zones, the poles are mottled by clockwise and counterclockwise rotating storms of various sizes, similar to giant versions of terrestrial hurricanes. The south pole has never been seen from this viewpoint, although the Cassini spacecraft was able to observe most of the polar region at highly oblique angles as it flew past Jupiter on its way to Saturn in 2000. http://photojournal.jpl.nasa.gov/catalog/PIA21032

Right Heart Vorticity and Right Ventricular Diastolic Dysfunction

NASA Astrophysics Data System (ADS)

Browning, James; Hertzberg, Jean; Fenster, Brett; Schroeder, Joyce

2015-11-01

Recent advances in cardiac magnetic resonance imaging (CMR) have allowed for the 3-dimensional characterization of blood flow in the right ventricle (RV) and right atrium (RA). In this study, we investigate and quantify differences in the characteristics of coherent rotating flow structures (vortices) in the RA and RV between subjects with right ventricular diastolic dysfunction (RVDD) and normal controls. Fifteen RVDD subjects and 10 age-matched controls underwent same day 3D time resolved CMR and echocardiography. Echocardiography was used to determine RVDD stage as well as pulmonary artery systolic pressure (PASP). CMR data was used for RA and RV vortex quantification and visualization during early ventricular diastole and the results are compared between healthy subjects and those with RVDD. The resulting trends are discussed and hypotheses are presented regarding differences in vortex characteristics between healthy and RVDD subjects cohorts.

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.

High-resolution mid-infrared spectroscopy of buffer-gas-cooled methyltrioxorhenium molecules

NASA Astrophysics Data System (ADS)

Tokunaga, S. K.; Hendricks, R. J.; Tarbutt, M. R.; Darquié, B.

2017-05-01

We demonstrate cryogenic buffer-gas cooling of gas-phase methyltrioxorhenium (MTO). This molecule is closely related to chiral organometallic molecules where the parity-violating energy differences between enantiomers is measurable. The molecules are produced with a rotational temperature of approximately 6 K by laser ablation of an MTO pellet inside a cryogenic helium buffer gas cell. Facilitated by the low temperature, we demonstrate absorption spectroscopy of the 10.2 μm antisymmetric Re=O stretching mode of MTO with a resolution of 8 MHz and a frequency accuracy of 30 MHz. We partially resolve the hyperfine structure and measure the nuclear quadrupole coupling of the excited vibrational state. Our ability to produce dense samples of complex molecules of this type at low temperatures represents a key step towards a precision measurement of parity violation in a chiral species.

Nucleotide-induced conformational dynamics in ABC transporters from structure-based coarse grained modelling.

NASA Astrophysics Data System (ADS)

Flechsig, Holger

2016-02-01

ATP-binding cassette (ABC) transporters are integral membrane proteins which mediate the exchange of diverse substrates across membranes powered by ATP molecules. Our understanding of their activity is still hampered since the conformational dynamics underlying the operation of such proteins cannot yet be resolved in detailed molecular dynamics studies. Here a coarse grained model which allows to mimic binding of nucleotides and follow subsequent conformational motions of full-length transporter structures in computer simulations is proposed and implemented. To justify its explanatory quality, the model is first applied to the maltose transporter system for which multiple conformations are known and we find that the model predictions agree remarkably well with the experimental data. For the MalK subunit the switching from open to the closed dimer configuration upon ATP binding is reproduced and, moreover, for the full-length maltose transporter, progression from inward-facing to the outward-facing state is correctly obtained. For the heme transporter HmuUV, for which only the free structure could yet be determined, the model was then applied to predict nucleotide-induced conformational motions. Upon binding of ATP-mimicking ligands the structure changed from a conformation in which the nucleotide-binding domains formed an open shape, to a conformation in which they were found in tight contact, while, at the same time, a pronounced rotation of the transmembrane domains was observed. This finding is supported by normal mode analysis, and, comparison with structural data of the homologous vitamin B12 transporter BtuCD suggests that the observed rotation mechanism may contribute a common functional aspect for this class of ABC transporters. Although in HmuuV noticeable rearrangement of essential transmembrane helices was detected, there are no indications from our simulations that ATP binding alone may facilitate propagation of substrate molecules in this transporter. Possible explanations are discussed in the light of currently debated transport scenarios of ABC transporters.

Two-color vibrational, femtosecond, fully resonant electronically enhanced CARS (FREE-CARS) of gas-phase nitric oxide.

PubMed

Stauffer, Hans U; Roy, Sukesh; Schmidt, Jacob B; Wrzesinski, Paul J; Gord, James R

2016-09-28

A resonantly enhanced, two-color, femtosecond time-resolved coherent anti-Stokes Raman scattering (CARS) approach is demonstrated and used to explore the nature of the frequency- and time-dependent signals produced by gas-phase nitric oxide (NO). Through careful selection of the input pulse wavelengths, this fully resonant electronically enhanced CARS (FREE-CARS) scheme allows rovibronic-state-resolved observation of time-dependent rovibrational wavepackets propagating on the vibrationally excited ground-state potential energy surface of this diatomic species. Despite the use of broadband, ultrafast time-resolved input pulses, high spectral resolution of gas-phase rovibronic transitions is observed in the FREE-CARS signal, dictated by the electronic dephasing timescales of these states. Analysis and computational simulation of the time-dependent spectra observed as a function of pump-Stokes and Stokes-probe delays provide insight into the rotationally resolved wavepacket motion observed on the excited-state and vibrationally excited ground-state potential energy surfaces of NO, respectively.

The Envelope Kinematics and a Possible Disk around the Class 0 Protostar within BHR7

NASA Astrophysics Data System (ADS)

Tobin, John J.; Bos, Steven P.; Dunham, Michael M.; Bourke, Tyler L.; van der Marel, Nienke

2018-04-01

We present a characterization of the protostar embedded within the BHR7 dark cloud, based on both photometric measurements from the near-infrared to millimeter and interferometric continuum and molecular line observations at millimeter wavelengths. We find that this protostar is a Class 0 system, the youngest class of protostars, measuring its bolometric temperature to be 50.5 K, with a bolometric luminosity of 9.3 L ⊙. The near-infrared and Spitzer imaging show a prominent dark lane from dust extinction separating clear bipolar outflow cavities. Observations of 13CO (J=2\\to 1), C18O (J=2\\to 1), and other molecular lines with the Submillimeter Array (SMA) exhibit a clear rotation signature on scales <1300 au. The rotation can be traced to an inner radius of ∼170 au and the rotation curve is consistent with an R ‑1 profile, implying that angular momentum is being conserved. Observations of the 1.3 mm dust continuum with the SMA reveal a resolved continuum source, extended in the direction of the dark lane, orthogonal to the outflow. The deconvolved size of the continuum indicates a radius of ∼100 au for the continuum source at the assumed distance of 400 pc. The visibility amplitude profile of the continuum emission cannot be reproduced by an envelope alone and needs a compact component. Thus, we posit that the resolved continuum source could be tracing a Keplerian disk in this very young system. If we assume that the continuum radius traces a Keplerian disk (R ∼ 120 au) the observed rotation profile is consistent with a protostar mass of 1.0 M ⊙.

Time-resolved deposition in the remote region of the JET-ILW divertor: measurements and modelling

NASA Astrophysics Data System (ADS)

Catarino, N.; Widdowson, A.; Baron-Wiechec, A.; Coad, J. P.; Heinola, K.; Rubel, M.; Alves, E.; Contributors, JET

2017-12-01

One crucial requirement for the development of fusion power is to know where, and how much, impurities collect in the machine, and how much of the fuelling isotope tritium will be trapped therein. The most relevant information on this issue comes from the operation of the Joint European Tokamak (JET), which is the world’s largest operating tokamak and has the same interior plasma-facing materials as the next step machine, ITER. Much of the information gained so far has been from post-mortem analysis of samples collected after whole campaigns involving varied types of operation. This paper describes time-resolved measurements of the deposition rate using rotating collectors (RC) placed in remote areas of the JET divertor during the 2013-2014 campaign with the ITER-like Wall (ILW). These techniques allow the effects of different types of operation to be distinguished. Rotating collectors made of silicon discs housed behind an aperture are exposed to the plasma. Each time the magnetic field coils are ramped up for a discharge the disc rotates, providing a linear relationship between the exposed region and the discharge number. Post-mortem ion beam analyses provide information on the deposit composition as a function of the discharge number. The results show that the Be deposition average for the RC in the corners of the inner and outer divertor are 4.9 × 1016 cm-2 and 1.8 × 1017 cm-2, respectively, accumulated over an average of ˜25 pulses. Data from the rotating collector below Tile 5 in the central region of divertor indicate a Be deposition rate of 9.3 × 1015 cm-2, per ˜25 pulses.

Multiscale diffusion of a molecular probe in a crowded environment: a concept

NASA Astrophysics Data System (ADS)

Currie, Megan; Thao, Chang; Timerman, Randi; Welty, Robb; Berry, Brenden; Sheets, Erin D.; Heikal, Ahmed A.

2015-08-01

Living cells are crowded with macromolecules and organelles. Yet, it is not fully understood how macromolecular crowding affects the myriad of biochemical reactions, transport and the structural stability of biomolecules that are essential to cellular function and survival. These molecular processes, with or without electrostatic interactions, in living cells are therefore expected to be distinct from those carried out in test tube in dilute solutions where excluded volumes are absent. Thus there is an urgent need to understand the macromolecular crowding effects on cellular and molecular biophysics towards quantitative cell biology. In this report, we investigated how biomimetic crowding affects both the rotational and translation diffusion of a small probe (rhodamine green, RhG). For biomimetic crowding agents, we used Ficoll-70 (synthetic polymer), bovine serum albumin and ovalbumin (proteins) at various concentrations in a buffer at room temperature. As a control, we carried out similar measurements on glycerolenriched buffer as an environment with homogeneous viscosity as a function of glycerol concentration. The corresponding bulk viscosity was measured independently to test the validity of the Stokes-Einstein model of a diffusing species undergoing a random walk. For rotational diffusion (ps-ns time scale), we used time-resolved anisotropy measurements to examine potential binding of RhG as a function of the crowding agents (surface structure and size). For translational diffusion (μs-s time scale), we used fluorescence correlation spectroscopy for single-molecule fluctuation analysis. Our results allow us to examine the diffusion model of a molecular probe in crowded environments as a function of concentration, length scale, homogeneous versus heterogeneous viscosity, size and surface structures. These biomimetic crowding studies, using non-invasive fluorescence spectroscopy methods, represent an important step towards understanding cellular biophysics and quantitative cell biology.

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.

A Comparative Study of the Influence of Sugars Sucrose, Trehalose, and Maltose on the Hydration and Diffusion of DMPC Lipid Bilayer at Complete Hydration: Investigation of Structural and Spectroscopic Aspect of Lipid-Sugar Interaction.

PubMed

Roy, Arpita; Dutta, Rupam; Kundu, Niloy; Banik, Debasis; Sarkar, Nilmoni

2016-05-24

It is well-known that sugars protect membrane structures against fusion and leakage. Here, we have investigated the interaction between different sugars (sucrose, trehalose, and maltose) and phospholipid membrane of 1,2-dimyristoyl-sn-glycero-3-phoshpocholine (DMPC) using dynamic light scattering (DLS), transmission electron microscopy (TEM), and other various spectroscopic techniques. DLS measurement reveals that the addition of sugar molecule results a significant increase of the average diameter of DMPC membrane. We have also noticed that in the presence of different sugars the rotational relaxation and solvation time of coumarin 480 (C480) and coumarin 153 (C153) surrounding DMPC membrane increases, suggesting a marked reduction of the hydration behavior at the surface of phospholipid membrane. In addition, we have also investigated the effect of sugar molecules on the lateral mobility of phospholipids. Interestingly, the relative increase in rotational, solvation and lateral diffusion is more prominent for C480 than that of C153 because of their different location in lipid bilayer. It is because of preferential location of comparatively hydrophilic probe C480 in the interfacial region of the lipid bilayer. Sugars intercalate with the phospholipid headgroup through hydrogen bonding and replace smaller sized water molecules from the membrane surface. Therefore, overall, we have monitored a comparative analysis regarding the interaction of different sugar molecules (sucrose, trehalose, and maltose) with the DMPC membrane through DLS, TEM, solvation dynamics, time-resolved anisotropy, and fluorescence correlation spectroscopy (FCS) measurements to explore the structural and spectroscopic aspect of lipid-sugar interaction.

3ks Specific Impulse with a ns-pulse Laser Microthruster

DTIC Science & Technology

2005-08-23

on a solid glass retroreflecting “corner cube” (described below) is the key to resolving rotation of the bar. Critical damping is provided by a flag...micropropulsion," AIAA Journal 40 no. 2 2002, pp. 310-318 2. Phipps, C. , Luke, J., Lippert , T., Hauer, M. and Wokaun, A., “Micropropulsion using a

Comparing Low-Redshift Compact Dwarf Starbursts in the RESOLVE Survey with High-Redshift Blue Nuggets

NASA Astrophysics Data System (ADS)

Palumbo, Michael Louis; Kannappan, Sheila; Snyder, Elaine; Eckert, Kathleen; Norman, Dara; Fraga, Luciano; Quint, Bruno; Amram, Philippe; Mendes de Oliveira, Claudia; RESOLVE Team

2018-01-01

We identify and characterize a population of compact dwarf starburst galaxies in the RESOLVE survey, a volume-limited census of galaxies in the local universe, to probe the possibility that these galaxies are related to “blue nuggets,” a class of intensely star-forming and compact galaxies previously identified at high redshift. Blue nuggets are thought to form as the result of intense compaction events that drive fresh gas to their centers. They are expected to display prolate morphology and rotation along their minor axes. We report IFU observations of three of our compact dwarf starburst galaxies, from which we construct high-resolution velocity fields, examining the evidence for minor axis or otherwise misaligned rotation. We find multiple cases of double nuclei in our sample, which may be indicative of a merger origin as in some blue nugget formation scenarios. We compare the masses, radii, gas-to-stellar mass ratios, star formation rates, stellar surface mass densities, and environmental contexts of our sample to expectations for blue nuggets.

The rotational order-disorder structure of the reversibly photoswitchable red fluorescent protein rsTagRFP.

PubMed

Pletnev, Sergei; Subach, Fedor V; Verkhusha, Vladislav V; Dauter, Zbigniew

2014-01-01

The rotational order-disorder (OD) structure of the reversibly photoswitchable fluorescent protein rsTagRFP is discussed in detail. The structure is composed of tetramers of 222 symmetry incorporated into the lattice in two different orientations rotated 90° with respect to each other around the crystal c axis and with tetramer axes coinciding with the crystallographic twofold axes. The random distribution of alternatively oriented tetramers in the crystal creates the rotational OD structure with statistically averaged I422 symmetry. Despite order-disorder pathology, the structure of rsTagRFP has electron-density maps of good quality for both non-overlapping and overlapping parts of the model. The crystal contacts, crystal internal architecture and a possible mechanism of rotational OD crystal formation are discussed.

Segmentation of the Hellenides recorded by Pliocene initiation of clockwise block rotation in Central Greece

NASA Astrophysics Data System (ADS)

Bradley, Kyle E.; Vassilakis, Emmanuel; Hosa, Aleksandra; Weiss, Benjamin P.

2013-01-01

New paleomagnetic data from Early Miocene to Pliocene terrestrial sedimentary and volcanic rocks in Central Greece constrain the history of vertical-axis rotation along the central part of the western limb of the Aegean arc. The present-day pattern of rapid block rotation within a broad zone of distributed deformation linking the right-lateral North Anatolian and Kephalonia continental transform faults initiated after Early Pliocene time, resulting in a uniform clockwise rotation of 24.3±6.5° over a region >250 km long and >150 km wide encompassing Central Greece and the western Cycladic archipelago. Because the published paleomagnetic dataset requires clockwise rotations of >50° in Western Greece after ˜17 Ma, while our measurements resolve no vertical-axis rotation of Central Greece between ˜15 Ma and post-Early Pliocene time, a large part of the clockwise rotation of Western Greece must have occurred during the main period of contraction within the external thrust belt of the Ionian Zone between ˜17 and ˜15 Ma. Pliocene initiation of rapid clockwise rotation in Central and Western Greece reflects the development of the North Anatolia-Kephalonia Fault system within the previously extended Aegean Sea region, possibly in response to entry of dense oceanic lithosphere of the Ionian Sea into the Hellenic subduction zone and consequent accelerated slab rollback. The development of the Aegean geometric arc therefore occurred in two short-duration pulses characterized by rapid rotation and strong regional deformation.

Ionic rotational branching ratios in resonant enhanced multiphoton ionization of NO via the A2Sigma(+)(3s sigma) and D2Sigma(+)(3p sigma) states

NASA Technical Reports Server (NTRS)

Rudolph, H.; Mckoy, V.; Dixit, S. N.; Huo, W. M.

1988-01-01

Results are presented for the rotationally resolved photoelectron spectra resulting from a (2 + 1) one-color resonant enhanced multiphoton ionization (REMPI) of NO via the rotationally clean S21(11.5) and mixed S11(15.5) + R21(15.5) branches of the 0-0 transition in the D-X band. The calculations were done in the fixed-nuclei frozen core approximation. The resulting photoionization spectra, convoluted with a Lorentzian detection function, agree qualitatively with experimental results of Viswanathan et al. (1986) and support their conclusion that the nonspherical nature of the molecular potential creates a substantial l-mixing in the continuum, which in turn leads to the intense Delta N = 0 peak. The rather strong photoelectron energy dependence of the rotational branching ratios of the D 2Sigma(+) S21(11.5) line was investigated and compared to the weak energy dependence of the A 2Sigma(+) R22(21.5) line.

High-Resolution Infrared Spectrscopy of the Hydroxymethyl Radical in Solid Parahydrogen

NASA Astrophysics Data System (ADS)

Balabanoff, Morgan E.; Anderson, David T.

2016-06-01

Interest in the hydroxymethyl radical, CH2OH, stems primarily from its importance as a reaction intermediate. However, this radical is also of interest from a spectroscopic point of view with large amplitude COH torsional tunneling and out of plane CH2 wagging motions. The first IR detection of CH2OH was accomplished via matrix isolation spectroscopy over 40 years ago by Jacox. Reisler and co-workers detected CH2OH in the gas-phase using the sensitivity of double resonance ionization detected IR spectroscopy to probe the OH stretch, asymmetric CH stretch, and symmetric CH stretch vibrational modes with partial rotational resolution (0.4 wn). Most recently, the Nesbitt group published the first fully rotationally resolved IR spectrum of CH2OH via the Ka=0←0 band of the symmetric CH stretch. These researchers were able to unambiguously assign the identified transitions to a Watson A-reduced symmetric top Hamiltonian thereby producing improved values for the symmetric CH stretch rotational constants and vibrational band origin. However, in this same work the authors point out a number of remaining unresolved issues. Motivated by these gas-phase observations, we decided to return to the matrix isolation studies of CH2OH, however utilizing solid parahydrogen as a matrix host to improve upon the sensitivity and resolution of the previous matrix isolation studies. Based on our measurements, while the end-over-end rotation of the CH2OH radical is quenched, rotational motion around the a-axis is nearly free permitting both A-type and B-type transitions to be resolved. In the case of the OH stretch mode, both A-type and B-type transitions are observed with an energy difference that makes sense based on the gas-phase CH2OH rotational constants. However, for the symmetric CH stretch mode, the same mode recently assigned by Nesbitt and co-workers, two absorption features are also observed but the energy difference and intensities of the two features do not match predictions based on the rotational constants. M.E. Jacox, D.E. Milligan, J. Mol. Spec. 47, 148-162 (1973) L. Feng, J. Wei, H. Reisler, J. Phys. Chem. A 108, 7903-7908 (2004). M.A. Roberts, E.N. Sharp-Williams, D.J. Nesbitt, J. Phys. Chem. A 117, 7042-7049 (2013).

Neural processing of gravito-inertial cues in humans. II. Influence of the semicircular canals during eccentric rotation.

PubMed

Merfeld, D M; Zupan, L H; Gifford, C A

2001-04-01

All linear accelerometers, including the otolith organs, respond equivalently to gravity and linear acceleration. To investigate how the nervous system resolves this ambiguity, we measured perceived roll tilt and reflexive eye movements in humans in the dark using two different centrifugation motion paradigms (fixed radius and variable radius) combined with two different subject orientations (facing-motion and back-to-motion). In the fixed radius trials, the radius at which the subject was seated was held constant while the rotation speed was changed to yield changes in the centrifugal force. In variable radius trials, the rotation speed was held constant while the radius was varied to yield a centrifugal force that nearly duplicated that measured during the fixed radius condition. The total gravito-inertial force (GIF) measured by the otolith organs was nearly identical in the two paradigms; the primary difference was the presence (fixed radius) or absence (variable radius) of yaw rotational cues. We found that the yaw rotational cues had a large statistically significant effect on the time course of perceived tilt, demonstrating that yaw rotational cues contribute substantially to the neural processing of roll tilt. We also found that the orientation of the subject relative to the centripetal acceleration had a dramatic influence on the eye movements measured during fixed radius centrifugation. Specifically, the horizontal vestibuloocular reflex (VOR) measured in our human subjects was always greater when the subject faced the direction of motion than when the subjects had their backs toward the motion during fixed radius rotation. This difference was consistent with the presence of a horizontal translational VOR response induced by the centripetal acceleration. Most importantly, by comparing the perceptual tilt responses to the eye movement responses, we found that the translational VOR component decayed as the subjective tilt indication aligned with the tilt of the GIF. This was true for both the fixed radius and variable radius conditions even though the time course of the responses was significantly different for these two conditions. These findings are consistent with the hypothesis that the nervous system resolves the ambiguous measurements of GIF into neural estimates of gravity and linear acceleration. More generally, these findings are consistent with the hypothesis that the nervous system uses internal models to process and interpret sensory motor cues.

Time-resolved stimulated emission depletion and energy transfer dynamics in two-photon excited EGFP.

PubMed

Masters, T A; Robinson, N A; Marsh, R J; Blacker, T S; Armoogum, D A; Larijani, B; Bain, A J

2018-04-07

Time and polarization-resolved stimulated emission depletion (STED) measurements are used to investigate excited state evolution following the two-photon excitation of enhanced green fluorescent protein (EGFP). We employ a new approach for the accurate STED measurement of the hitherto unmeasured degree of hexadecapolar transition dipole moment alignment α 40 present at a given excitation-depletion (pump-dump) pulse separation. Time-resolved polarized fluorescence measurements as a function of pump-dump delay reveal the time evolution of α 40 to be considerably more rapid than predicted for isotropic rotational diffusion in EGFP. Additional depolarization by homo-Förster resonance energy transfer is investigated for both α 20 (quadrupolar) and α 40 transition dipole alignments. These results point to the utility of higher order dipole correlation measurements in the investigation of resonance energy transfer processes.

Translational control of a graphically simulated robot arm by kinematic rate equations that overcome elbow joint singularity

NASA Technical Reports Server (NTRS)

Barker, L. K.; Houck, J. A.; Carzoo, S. W.

1984-01-01

An operator commands a robot hand to move in a certain direction relative to its own axis system by specifying a velocity in that direction. This velocity command is then resolved into individual joint rotational velocities in the robot arm to effect the motion. However, the usual resolved-rate equations become singular when the robot arm is straightened. To overcome this elbow joint singularity, equations were developed which allow continued translational control of the robot hand even though the robot arm is (or is nearly) fully extended. A feature of the equations near full arm extension is that an operator simply extends and retracts the robot arm to reverse the direction of the elbow bend (difficult maneuver for the usual resolved-rate equations). Results show successful movement of a graphically simulated robot arm.

Using Symmetry Group Correlation Tables to Explain why Erham (and Other Programs) cannot BE Used to Analyze Torsional Splittings of Some Molecules

NASA Astrophysics Data System (ADS)

Groner, Peter

2016-06-01

ERHAM has been used to analyze rotational spectra of many molecules with torsional splitting caused by one or two internal rotors. The gauche form of dimethyl ether-d1 whose equilibrium structure has C1 symmetry is an example of a molecule for which ERHAM could not model additional small splittings resolvable for many transitions, whereas the spectrum of the symmetric (anti, trans) form with a C{_s} equilibrium structure could be analyzed successfully with ERHAM. A more recent example where ERHAM failed is pinacolone CH_3-CO-C(CH_3)_3. In this case, the barriers to internal rotation of the methyl groups within the -C(CH_3)_3 unit are too high to produce observable internal rotation splittings, but the splittings due to the CH_3-CO methyl group could not be modeled correctly with ERHAM nor with any other available program (XIAM, BELGI-Cs, BELGI-C1, RAM36). In the paper, it was speculated that BELGI-Cs-2tops might be able to the job, but arguments against this possibility have also been put forward. The correlation between irreducible representations of groups and their subgroups according to Watson can be used not only to determine the total number of substates (components) to be expected but also to help decide which particular program has a chance for a successful analysis. As it turns out, the number of components of split lines depends on the molecular symmetry at equilibrium in relation to the highest possible symmetry for a given molecular symmetry group. Therefore, for pinacolone, the vibrational ground state is split into 10 torsional substates. P. Groner, J. Mol. Spectrosc. 278 (2012) 52-67. C. Richard et al. A&A 552 (2013), A117. Y. Zhao et al., J. Mol. Spectrosc. 318 (2015) 91-100, with references to all other programs mentioned in the abstract. J. K. G. Watson, Can. J. Physics 43 (1965) 1996-2007.

The KMOS3D Survey: Design, First Results, and the Evolution of Galaxy Kinematics from 0.7 <= z <= 2.7

NASA Astrophysics Data System (ADS)

Wisnioski, E.; Förster Schreiber, N. M.; Wuyts, S.; Wuyts, E.; Bandara, K.; Wilman, D.; Genzel, R.; Bender, R.; Davies, R.; Fossati, M.; Lang, P.; Mendel, J. T.; Beifiori, A.; Brammer, G.; Chan, J.; Fabricius, M.; Fudamoto, Y.; Kulkarni, S.; Kurk, J.; Lutz, D.; Nelson, E. J.; Momcheva, I.; Rosario, D.; Saglia, R.; Seitz, S.; Tacconi, L. J.; van Dokkum, P. G.

2015-02-01

We present the KMOS3D survey, a new integral field survey of over 600 galaxies at 0.7 < z < 2.7 using KMOS at the Very Large Telescope. The KMOS3D survey utilizes synergies with multi-wavelength ground- and space-based surveys to trace the evolution of spatially resolved kinematics and star formation from a homogeneous sample over 5 Gyr of cosmic history. Targets, drawn from a mass-selected parent sample from the 3D-HST survey, cover the star formation-stellar mass (M *) and rest-frame (U - V) - M * planes uniformly. We describe the selection of targets, the observations, and the data reduction. In the first-year of data we detect Hα emission in 191 M * = 3 × 109-7 × 1011 M ⊙ galaxies at z = 0.7-1.1 and z = 1.9-2.7. In the current sample 83% of the resolved galaxies are rotation dominated, determined from a continuous velocity gradient and v rot/σ0 > 1, implying that the star-forming "main sequence" is primarily composed of rotating galaxies at both redshift regimes. When considering additional stricter criteria, the Hα kinematic maps indicate that at least ~70% of the resolved galaxies are disk-like systems. Our high-quality KMOS data confirm the elevated velocity dispersions reported in previous integral field spectroscopy studies at z >~ 0.7. For rotation-dominated disks, the average intrinsic velocity dispersion decreases by a factor of two from 50 km s-1at z ~ 2.3 to 25 km s-1at z ~ 0.9. Combined with existing results spanning z ~ 0-3, we show that disk velocity dispersions follow an evolution that is consistent with the dependence of velocity dispersion on gas fractions predicted by marginally stable disk theory. Based on observations obtained at the Very Large Telescope (VLT) of the European Southern Observatory (ESO), Paranal, Chile (ESO program IDS 092A-0091, 093.A-0079).

Heme Distortions in Sperm-Whale Carbonmonoxy Myoglobin: Correlations between Rotational Strengths and Heme Distortions in MD-Generated Structures

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

KIEFL,CHRISTOPH; SCREERAMA,NARASIMHA; LU,YI

2000-07-13

The authors have investigated the effects of heme rotational isomerism in sperm-whale carbonmonoxy myoglobin using computational techniques. Several molecular dynamics simulations have been performed for the two rotational isomers A and B, which are related by a 180{degree} rotation around the {alpha}-{gamma} axis of the heme, of sperm-whale carbonmonoxy myoglobin in water. Both neutron diffraction and NMR structures were used as starting structures. In the absence of an experimental structure, the structure of isomer B was generated by rotating the heme in the structure of isomer A. Distortions of the heme from planarity were characterized by normal coordinate structural decompositionmore » and by the angle of twist of the pyrrole rings from the heme plane. The heme distortions of the neutron diffraction structure were conserved in the MD trajectories, but in the NMR-based trajectories, where the heme distortions are less well defined, they differ from the original heme deformations. The protein matrix induced similar distortions on the heroes in orientations A and B. The results suggest that the binding site prefers a particular macrocycle conformation, and a 180{degree} rotation of the heme does not significantly alter the protein's preference for this conformation. The intrinsic rotational strengths of the two Soret transitions, separated according to their polarization in the heme plane, show strong correlations with the ruf-deformation and the average twist angle of the pyrrole rings. The total rotational strength, which includes contributions from the chromophores in the protein, shows a weaker correlation with heme distortions.« less

Pulsed-field ionization zero electron kinetic energy spectrum of the ground electronic state of BeOBe+.

PubMed

Antonov, Ivan O; Barker, Beau J; Heaven, Michael C

2011-01-28

The ground electronic state of BeOBe(+) was probed using the pulsed-field ionization zero electron kinetic energy photoelectron technique. Spectra were rotationally resolved and transitions to the zero-point level, the symmetric stretch fundamental and first two bending vibrational levels were observed. The rotational state symmetry selection rules confirm that the ground electronic state of the cation is (2)Σ(g)(+). Detachment of an electron from the HOMO of neutral BeOBe results in little change in the vibrational or rotational constants, indicating that this orbital is nonbonding in nature. The ionization energy of BeOBe [65480(4) cm(-1)] was refined over previous measurements. Results from recent theoretical calculations for BeOBe(+) (multireference configuration interaction) were found to be in good agreement with the experimental data.

Non-destructive imaging of spinor Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Samson, E.; Vinit, Anshuman; Raman, Chandra

2013-05-01

We present a non-destructive differential imaging technique that enables the observation of the spatial distribution of the magnetization in a spinor Bose-Einstein condensate (BEC) through a Faraday rotation protocol. In our procedure, we utilize a linearly polarized, far-detuned laser beam as our imaging probe, and upon interaction with the condensate, the beam's polarization direction undergoes Faraday rotation. A differential measurement of the orthogonal polarization components of the rotated beam provides a spatial map of the net magnetization density within the BEC. The non-destructive aspect of this method allows for continuous imaging of the condensate. This imaging technique will prove useful in experimental BEC studies, such as spatially resolved magnetometry using ultracold atoms, and non-destructive imaging of non-equilibrium behavior of antiferromagnetic spinor condensates. This work was supported by the DARPA QuASAR program through a grant from ARO.

Cosolvent effect on the dynamics of water in aqueous binary mixtures

NASA Astrophysics Data System (ADS)

Zhang, Xia; Zhang, Lu; Jin, Tan; Zhang, Qiang; Zhuang, Wei

2018-04-01

Water rotational dynamics in the mixtures of water and amphiphilic molecules, such as acetone and dimethyl sulfoxide (DMSO), measured by femtosecond infrared, often vary non-monotonically as the amphiphilic molecule's molar fraction changes from 0 to 1. Recent study has attributed the non-ideal water rotation with concentration in DMSO-water mixtures to different microscopic hydrophilic-hydrophobic segregation structure in water-rich and water-poor mixtures. Interestingly, the acetone molecule has very similar molecular structure to DMSO, but the extremum of the water rotational time in the DMSO-water mixtures significantly shifts to lower concentration and the rotation of water is much faster than those in acetone-water mixtures. The simulation results here shows that the non-ideal rotational dynamics of water in both mixtures are due to the frame rotation during the interval of hydrogen bond (HB) switchings. A turnover of the frame rotation with concentration takes place as the structure transition of mixture from the hydrogen bond percolation structure to the hydrophobic percolation structure. The weak acetone-water hydrogen bond strengthens the hydrophobic aggregation and accelerates the relaxation of the hydrogen bond, so that the structure transition takes places at lower concentration and the rotation of water is faster in acetone-water mixture than in DMSO-water mixture. A generally microscopic picture on the mixing effect on the water dynamics in binary aqueous mixtures is presented here.

Microwave Spectra of the Two Conformers of PROPENE-3-{d}_1 and a Semiexperimental Equilibrium Structure of Propene

NASA Astrophysics Data System (ADS)

Craig, Norman C.; Demaison, J.; Rudolph, Heinz Dieter; Gurusinghe, Ranil M.; Tubergen, Michael; Coudert, L. H.; Szalay, Peter; Császár, Attila

2017-06-01

FT microwave spectra have been observed and analyzed for the S (in-plane) and A (out-of-plane) conformers of propene-3-{d}_1 in the 10-22 GHz region. Both conformers display splittings due to deuterium quadrupole coupling; for the latter one only, a 19 MHz splitting due to internal rotation of the partially deuterated methyl group has been observed. In addition to rotational constants, the analysis yielded quadrupole coupling constants and parameters describing the tunneling splitting and its rotational dependence. Improved rotational constants for parent propene and the three ^{13}C_1 species are recently available. Use of vibration-rotation interaction constants computed at the MP2(FC)/cc-pVTZ level gave equilibrium rotational constants for these six species and for fourteen more deuterium isotopologues with diminished accuracy from early literature data. A semiexperimental equilibrium structure, r_e^{SE}, has been determined for propene by fitting fourteen structural parameters to the equilibrium rotational constants. The new r_e^{SE} structure compares well with an ab initio equilibrium structure computed with the all-electron CCSD(T)/cc-pV(Q,T)Z model and with a structure obtained using the mixed regression method with predicates and equilibrium rotational constants. N. C. Craig, P. Groner, A. R. Conrad, R. Gurusinghe, M. J. Tubergen J. Mol. Spectrosc. 248, 1-6 (2016).

Ordered structures in rotating ultracold Bose gases

NASA Astrophysics Data System (ADS)

Barberán, N.; Lewenstein, M.; Osterloh, K.; Dagnino, D.

2006-06-01

Two-dimentional systems of trapped samples of few cold bosonic atoms submitted to strong rotation around the perpendicular axis may be realized in optical lattices and microtraps. We investigate theoretically the evolution of ground state structures of such systems as the rotational frequency Ω increases. Various kinds of ordered structures are observed. In some cases, hidden interference patterns exhibit themselves only in the pair correlation function; in some other cases explicit broken-symmetry structures appear that modulate the density. For N<10 atoms, the standard scenario, valid for large sytems is absent, and is only gradually recovered as N increases. On the one hand, the Laughlin state in the strong rotational regime contains ordered structures much more similar to a Wigner molecule than to a fermionic quantum liquid. On the other hand, in the weak rotational regime, the possibility to obtain equilibrium states, whose density reveals an array of vortices, is restricted to the vicinity of some critical values of the rotational frequency Ω .

Optical high-resolution analysis of rotational movement: testing circular spatial filter velocimetry (CSFV) with rotating biological cells

NASA Astrophysics Data System (ADS)

Schaeper, M.; Schmidt, R.; Kostbade, R.; Damaschke, N.; Gimsa, J.

2016-07-01

Circular spatial filtering velocimetry (CSFV) was tested during the microscopic registration of the individual rotations of baker’s yeast cells. Their frequency-dependent rotation (electrorotation; ER) was induced in rotating electric fields, which were generated in a glass chip chamber with four electrodes (600 μm tip-to-tip distance). The electrodes were driven with sinusoidal quadrature signals of 5 or 8 V PP with frequencies up to 3 MHz. The observed cell rotation was of the order of 1-100 s per revolution. At each measuring frequency, the independent rotations of up to 20 cells were simultaneously recorded with a high-speed camera. CSFV was software-implemented using circular spatial filters with harmonic gratings. ER was proportional to the phase shift between the values of the spatial filtering signal of consecutive frames. ER spectra obtained by CSFV from the rotation velocities at different ER-field frequencies agreed well with manual measurements and theoretical spectra. Oscillations in the rotation velocity of a single cell in the elliptically polarized field near an electrode, which were resolved by CSFV, could not be visually discerned. ER step responses after field-on were recorded at 2500 frames per second. Analysis proved the high temporal resolution of CSFV and revealed a largely linear torque-friction relation during the acceleration phase of ER. Future applications of CSFV will allow for the simple and cheap automated high-resolution analysis of rotational movements where mechanical detection has too low a resolution or is not possible, e.g. in polluted environments or for gas and fluid vortices, microscopic objects, etc.

Differential rotation in solar-like stars from global simulations

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

Guerrero, G.; Kosovichev, A. G.; Smolarkiewicz, P. K.

2013-12-20

To explore the physics of large-scale flows in solar-like stars, we perform three-dimensional anelastic simulations of rotating convection for global models with stratification resembling the solar interior. The numerical method is based on an implicit large-eddy simulation approach designed to capture effects from non-resolved small scales. We obtain two regimes of differential rotation, with equatorial zonal flows accelerated either in the direction of rotation (solar-like) or in the opposite direction (anti-solar). While the models with the solar-like differential rotation tend to produce multiple cells of meridional circulation, the models with anti-solar differential rotation result in only one or two meridionalmore » cells. Our simulations indicate that the rotation and large-scale flow patterns critically depend on the ratio between buoyancy and Coriolis forces. By including a sub-adiabatic layer at the bottom of the domain, corresponding to the stratification of a radiative zone, we reproduce a layer of strong radial shear similar to the solar tachocline. Similarly, enhanced super-adiabaticity at the top results in a near-surface shear layer located mainly at lower latitudes. The models reveal a latitudinal entropy gradient localized at the base of the convection zone and in the stable region, which, however, does not propagate across the convection zone. In consequence, baroclinicity effects remain small, and the rotation isocontours align in cylinders along the rotation axis. Our results confirm the alignment of large convective cells along the rotation axis in the deep convection zone and suggest that such 'banana-cell' pattern can be hidden beneath the supergranulation layer.« less

A rotationally biased upwind difference scheme for the Euler equations

NASA Technical Reports Server (NTRS)

Davis, S. F.

1983-01-01

The upwind difference schemes of Godunov, Osher, Roe and van Leer are able to resolve one dimensional steady shocks for the Euler equations within one or two mesh intervals. Unfortunately, this resolution is lost in two dimensions when the shock crosses the computing grid at an oblique angle. To correct this problem, a numerical scheme was developed which automatically locates the angle at which a shock might be expected to cross the computing grid and then constructs separate finite difference formulas for the flux components normal and tangential to this direction. Numerical results which illustrate the ability of this method to resolve steady oblique shocks are presented.

Radial Surface Density Profiles of Gas and Dust in the Debris Disk Around 49 Ceti

NASA Technical Reports Server (NTRS)

Hughes, A. Meredith; Lieman-Sifry, Jesse; Flaherty, Kevin M.; Daley, Cail M.; Roberge, Aki; Kospal, Agnes; Moor, Attila; Kamp, Inga; Wilner, David J.; Andrews, Sean M.;

Monolithic echo-less photoconductive switches as a high-resolution detector for terahertz time-domain spectroscopy

NASA Astrophysics Data System (ADS)

Maussang, K.; Palomo, J.; Manceau, J.-M.; Colombelli, R.; Sagnes, I.; Li, L. H.; Linfield, E. H.; Davies, A. G.; Mangeney, J.; Tignon, J.; Dhillon, S. S.

2017-04-01

Interdigitated photoconductive (iPC) switches are powerful and convenient devices for time-resolved spectroscopy, with the ability to operate both as sources and detectors of terahertz (THz) frequency pulses. However, reflection of the emitted or detected radiation within the device substrate itself can lead to echoes that inherently limit the spectroscopic resolution achievable for their use in time-domain spectroscopy (TDS) systems. In this work, we demonstrate a design of low-temperature-grown-GaAs (LT-GaAs) iPC switches for THz pulse detection that suppresses such unwanted echoes. This is realized through the growth of a buried multilayer LT-GaAs structure that retains its ultrafast properties, which, after wafer bonding to a metal-coated host substrate, results in an iPC switch with a metal plane buried at a subwavelength depth below the LT-GaAs surface. Using this device as a detector, and coupling it to an echo-less iPC source, enables echo-free THz-TDS and high-resolution spectroscopy, with a resolution limited only by the temporal length of the measurement governed by the mechanical delay line used. As a proof-of-principle, the 212-221 and the 101-212 rotational lines of water vapor have been spectrally resolved, demonstrating a spectral resolution below 10 GHz.

Development of a Remote Sensing Small Satellite for Temperature Sounding in the Mesosphere/Lower Thermosphere by Measurement of the Oxygen Atmospheric Band Emission

NASA Astrophysics Data System (ADS)

Deiml, Michael; Kaufmann, Martin

2017-04-01

Coupling processes initiated by gravity waves in the middle atmosphere have increasing importance for the modeling of the climate system and represent one of the larger uncertainties in this field. To support new modeling efforts spatially resolved measurements of wave fields are very beneficial. This contribution proposes a new small satellite mission based on a three unit CubeSat form factor to observe the Oxygen Atmospheric Band emission around 762 nm for temperature derivation in a limb sounding configuration to characterize gravity waves. The satellite instrument resolves individual rotational lines whose intensities follow a Boltzmann law allowing for the derivation of temperature from the relative structure of these lines. The employed Spatial Heterodyne Spectrometer is characterized by its high throughput at a small form factor, allowing to perform scientific remote sensing measurements within a small satellite during day and night. The spectrometer consists of a thermally stabilized solid block and has no moving parts, which increases its reliability in orbit while allowing high precision measurements within a small volume. The instrument is verified in its precursor mission, the Atmospheric Heterodyne Interferometer Test (AtmoHIT), within the REXUS/BEXUS ballistic rocket flight campaign. The description of the flight campaign and the results thereof conclude this contribution.

Dynamic organization of myristoylated Src in the live cell plasma membrane

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

Smith, Adam W.; Huang, Hector H.; Endres, Nicholas F.

The spatial organization of lipid-anchored proteins in the plasma membrane directly influences cell signaling, but measuring such organization in situ is experimentally challenging. The canonical oncogene, c-Src, is a lipid anchored protein that plays a key role in integrin-mediated signal transduction within focal adhesions and cell–cell junctions. Because of its activity in specific plasma membrane regions, structural motifs within the protein have been hypothesized to play an important role in its subcellular localization. This study used a combination of time-resolved fluorescence fluctuation spectroscopy and super-resolution microscopy to quantify the dynamic organization of c-Src in live cell membranes. Pulsed-interleaved excitation fluorescencemore » cross-correlation spectroscopy (PIE–FCCS) showed that a small fraction of c-Src transiently sorts into membrane clusters that are several times larger than the monomers. Photoactivated localization microscopy (PALM) confirmed that c-Src partitions into clusters with low probability and showed that the characteristic size of the clusters is 10–80 nm. Finally, time-resolved fluorescence anisotropy measurements were used to quantify the rotational mobility of c-Src to determine how it interacts with its local environment. Altogether, these results build a quantitative description of the mobility and clustering behavior of the c-Src nonreceptor tyrosine kinase in the live cell plasma membrane.« less

Dynamic organization of myristoylated Src in the live cell plasma membrane

DOE PAGES

Smith, Adam W.; Huang, Hector H.; Endres, Nicholas F.; ...

2016-01-15

The spatial organization of lipid-anchored proteins in the plasma membrane directly influences cell signaling, but measuring such organization in situ is experimentally challenging. The canonical oncogene, c-Src, is a lipid anchored protein that plays a key role in integrin-mediated signal transduction within focal adhesions and cell–cell junctions. Because of its activity in specific plasma membrane regions, structural motifs within the protein have been hypothesized to play an important role in its subcellular localization. This study used a combination of time-resolved fluorescence fluctuation spectroscopy and super-resolution microscopy to quantify the dynamic organization of c-Src in live cell membranes. Pulsed-interleaved excitation fluorescencemore » cross-correlation spectroscopy (PIE–FCCS) showed that a small fraction of c-Src transiently sorts into membrane clusters that are several times larger than the monomers. Photoactivated localization microscopy (PALM) confirmed that c-Src partitions into clusters with low probability and showed that the characteristic size of the clusters is 10–80 nm. Finally, time-resolved fluorescence anisotropy measurements were used to quantify the rotational mobility of c-Src to determine how it interacts with its local environment. Altogether, these results build a quantitative description of the mobility and clustering behavior of the c-Src nonreceptor tyrosine kinase in the live cell plasma membrane.« less

Poiseuille flow of a Quincke suspension

NASA Astrophysics Data System (ADS)

CÄ`bers, A.

2014-09-01

The controversy of models of dielectric particle suspensions with antisymmetric stress, which predict a nonphysical cusp of the velocity profile in plane Poiseuille flow under the action of the electrical field, is resolved. In the mean-field approximation, the nonlinear kinetic equation is derived for coupled due to the flow translational and rotational motion of the particles. By its numerical solution, it is shown that the velocity profile is smeared due to the translational diffusion of the particles with opposite directions of rotation. The obtained results for the velocity profiles and flow rates as a function of the electric field strength are in qualitative agreement with the existing experimental results.

Poiseuille flow of a Quincke suspension.

PubMed

Cēbers, A

2014-09-01

The controversy of models of dielectric particle suspensions with antisymmetric stress, which predict a nonphysical cusp of the velocity profile in plane Poiseuille flow under the action of the electrical field, is resolved. In the mean-field approximation, the nonlinear kinetic equation is derived for coupled due to the flow translational and rotational motion of the particles. By its numerical solution, it is shown that the velocity profile is smeared due to the translational diffusion of the particles with opposite directions of rotation. The obtained results for the velocity profiles and flow rates as a function of the electric field strength are in qualitative agreement with the existing experimental results.

Conformationally resolved spectroscopy of jet-cooled methacetin

NASA Astrophysics Data System (ADS)

Moon, Cheol Joo; Ahn, Ahreum; Min, Ahreum; Seong, Yeon Guk; Kim, Ju Hyun; Choi, Myong Yong

2017-11-01

The excitation spectra of jet-cooled methacetin (MA) have been measured using a combination of mass-selected resonant two-photon ionization and ultraviolet-ultraviolet hole-burning (UV-UV HB) spectroscopy in the gas phase. Four different UV-UV HB spectra originating from two conformers of MA (syn- and anti-MA) with their fundamental and hot transitions have been obtained. IR-dip spectroscopy has conclusively confirmed the coexistence of the two conformers with the aid of theoretical calculations. Vibronic band assignments in the low frequency region caused by internal methyl group rotation in the methyl-capped peptide group, which originate from the 1e rotational level, are presented.

Enhanced Faraday rotation in one dimensional magneto-plasmonic structure due to Fano resonance

NASA Astrophysics Data System (ADS)

Sadeghi, S.; Hamidi, S. M.

2018-04-01

Enhanced Faraday rotation in a new type of magneto-plasmonic structure with the capability of Fano resonance, has been reported theoretically. A magneto-plasmonic structure composed of a gold corrugated layer deposited on a magneto-optically active layer was studied by means of Lumerical software based on finite-difference time-domain. In our proposed structure, plasmonic Fano resonance and localized surface plasmon have induced enhancement in magneto-optical Faraday rotation. It is shown that the influence of geometrical parameters in gold layer offers a desirable platform for engineering spectral position of Fano resonance and enhancement of Faraday rotation.

Charge transfer and symmetry reduction at the CuPc/Ag(110) interface studied by photoemission tomography

NASA Astrophysics Data System (ADS)

Schönauer, K.; Weiss, S.; Feyer, V.; Lüftner, D.; Stadtmüller, B.; Schwarz, D.; Sueyoshi, T.; Kumpf, C.; Puschnig, P.; Ramsey, M. G.; Tautz, F. S.; Soubatch, S.

2016-11-01

On the Ag(110) surface copper phthalocyanine (CuPc) orders in two structurally similar superstructures, as revealed by low-energy electron diffraction. Scanning tunneling microscopy (STM) shows that in both superstructures the molecular planes are oriented parallel to the surface and the long molecular axes, defined as diagonals of the square molecule, are rotated by ≃±32∘ away from the high-symmetry directions [1 1 ¯0 ] and [001] of the silver surface. Similarly to many other adsorbed metal phthalocyanines, the CuPc molecules on Ag(110) appear in STM as crosslike features with twofold symmetry. Photoemission tomography based on angle-resolved photoemission spectroscopy reveals a charge transfer from the substrate into the molecule. A symmetry analysis of experimental and theoretical constant binding energy maps of the photoemission intensity in the kx,ky -plane points to a preferential occupation of one of the two initially degenerate lowest unoccupied molecular orbitals (LUMOs) of eg symmetry. The occupied eg orbital is rotated by 32∘ against the [001] direction of the substrate. The lifting of the degeneracy of the LUMOs and the related reduction of the symmetry of the adsorbed CuPc molecule are attributed to an anisotropy in the chemical reactivity of the Ag(110) surface.

Phase-dependent absorption features in X-ray spectra of X-ray Dim Isolated Neutron Stars

NASA Astrophysics Data System (ADS)

Borghese, A.; Rea, N.; Coti Zelati, F.; Turolla, R.; Tiengo, A.; Zane, S.

2017-12-01

A detailed phase-resolved spectroscopy of archival XMM-Newton observations of X-ray Dim Isolated Neutron Stars (XDINSs) led to the discovery of narrow and strongly phase-dependent absorption features in two of these sources. The first was discovered in the X-ray spectrum of RX J0720.4-3125, followed by a new possible candidate in RX J1308.6+2127. Both spectral lines have similar properties: they are detected for only ˜ 20% of the rotational cycle and appear to be stable over the timespan covered by the observations. We performed Monte Carlo simulations to test the significance of these phase-variable features and in both cases the outcome has confirmed the detection with a confidence level > 4.6σ. Because of the narrow width and the strong dependence on the pulsar rotational phase, the most likely interpretation for these spectral features is in terms of resonant proton cyclotron absorption scattering in a confined high-B structure close to the stellar surface. Within the framework of this interpretation, our results provide evidence for deviations from a pure dipole magnetic field on small scales for highly magnetized neutron stars and support the proposed scenario of XDINSs being aged magnetars, with a strong non-dipolar crustal B-field component.

Measuring flows in the solar interior: current developments, results, and outstanding problems

NASA Astrophysics Data System (ADS)

Schad, Ariane

2016-10-01

I will present an overview of the current developments to determine flows in the solar interior and recent results from helioseismology. I will lay special focus on the inference of the deep structure of the meridional flow, which is one of the most challenging problems in helioseismology. In recent times, promising approaches have been developed for solving this problem. The time-distance analysis made large improvements in this after becoming aware of and compensating for a systematic effect in the analysis, the origin of which is not clear yet. In addition to this, a different approach is now available, which directly exploits the distortion of mode eigenfunctions by the meridional flow as well as rotation. These methods have presented us partly surprisingly complex meridional flow patterns, which, however, do not provide a consistent picture of the flow. Resolving this puzzle is part of current research since this has important consequences on our understanding of the solar dynamo. Another interesting discrepancy was found in recent studies between the amplitudes of the large- and small-scale dynamics in the convection zone estimated from helioseismology and those predicted from theoretical models. This raises fundamental questions how the Sun, and in general a star, maintains its heat transport and redistributes its angular momentum that lead, e.g., to the observed differential rotation.

The mystery of perpendicular fivefold axes and the fourth dimension in intermetallic structures.

PubMed

Berger, Robert F; Lee, Stephen; Johnson, Jeffreys; Nebgen, Ben; Sha, Fernando; Xu, Jiaqi

2008-01-01

The structures of eight related known intermetallic structure types are the impetus to this paper: Li21Si5, Mg44Rh7, Zn13(Fe,Ni)2, Mg6Pd, Na6Tl, Zn91Ir11, Li13Na29Ba19, and Al69Ta39. All belong to the F43m space group, have roughly 400 atoms in their cubic unit cells, are built up at least partially from the gamma-brass structure, and exhibit pseudo-tenfold symmetric diffraction patterns. These pseudo-tenfold axes lie in the {110} directions, and thus present a paradox. The {110} set is comprised of three pairs of perpendicular directions. Yet no 3D point group contains a single pair of perpendicular fivefold axes (by Friedel's Law, a fivefold axis leads to a tenfold diffraction pattern). The current work seeks to resolve this paradox. Its resolution is based on the largest of all 4D Platonic solids, the 600-cell. We first review the 600-cell, building an intuition discussing 4D polyhedroids (4D polytopes). We then show that the positions of common atoms in the F43m structures lie close to the positions of vertices in a 3D projection of the 600-cell. For this purpose, we develop a projection method that we call intermediate projection. The introduction of the 600-cell resolves the above paradox. This 4D Platonic solid contains numerous orthogonal fivefold rotations. The six fivefold directions that are best preserved after projection prove to lie along the {110} directions of the F43m structures. Finally, this paper shows that at certain ideal projected cluster sizes related to one another by the golden mean (tau=(1+ radical 5)/2), constructive interference leading to tenfold diffraction patterns is optimized. It is these optimal values that predominate in actual F43m structures. Explicit comparison of experimental cluster sizes and theoretically derived cluster sizes shows a clear correspondence, both for isolated and crystalline pairs of projected 600-cells.

The Stellar Imager (SI) - A Mission to Resolve Stellar Surfaces, Interiors, and Magnetic Activity

NASA Technical Reports Server (NTRS)

Christensen-Dalsgaard, Jorgen; Carpenter, Kenneth G.; Schrijver, Carolus J.; Karovska, Margarita

2012-01-01

The Stellar Imager (SI) is a space-based, UV/Optical Interferometer (UVOI) designed to enable 0.1 milli-arcsecond (mas) spectral imaging of stellar surfaces and of the Universe in general. It will also probe via asteroseismology flows and structures in stellar interiors. SI will enable the development and testing of a predictive dynamo model for the Sun, by observing patterns of surface activity and imaging of the structure and differential rotation of stellar interiors in a population study of Sun-like stars to determine the dependence of dynamo action on mass, internal structure and flows, and time. SI's science focuses on the role of magnetism in the Universe and will revolutionize our understanding of the formation of planetary systems, of the habitability and climatology of distant planets, and of many magnetohydrodynamically controlled processes in the Universe. SI is a "LandmarklDiscovery Mission" in the 2005 Heliophysics Roadmap, an implementation of the UVOI in the 2006 Astrophysics Strategic Plan, and a NASA Vision Mission ("NASA Space Science Vision Missions" (2008), ed. M. Allen). We present here the science goals of the SI Mission, a mission architecture that could meet those goals, and the technology development needed to enable this mission

Difference structures from time-resolved small-angle and wide-angle x-ray scattering

NASA Astrophysics Data System (ADS)

Nepal, Prakash; Saldin, D. K.

2018-05-01

Time-resolved small-angle x-ray scattering/wide-angle x-ray scattering (SAXS/WAXS) is capable of recovering difference structures directly from difference SAXS/WAXS curves. It does so by means of the theory described here because the structural changes in pump-probe detection in a typical time-resolved experiment are generally small enough to be confined to a single residue or group in close proximity which is identified by a method akin to the difference Fourier method of time-resolved crystallography. If it is assumed, as is usual with time-resolved structures, that the moved atoms lie within the residue, the 100-fold reduction in the search space (assuming a typical protein has about 100 residues) allows the exaction of the structure by a simulated annealing algorithm with a huge reduction in computing time and leads to a greater resolution by varying the positions of atoms only within that residue. This reduction in the number of potential moved atoms allows us to identify the actual motions of the individual atoms. In the case of a crystal, time-resolved calculations are normally performed using the difference Fourier method, which is, of course, not directly applicable to SAXS/WAXS. The method developed in this paper may be thought of as a substitute for that method which allows SAXS/WAXS (and hence disordered molecules) to also be used for time-resolved structural work.

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

NASA Astrophysics Data System (ADS)

Gurusinghe, Ranil M.; Tubergen, Michael

2015-06-01

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

Cloud Atlas: Discovery of Rotational Spectral Modulations in a Low-mass, L-type Brown Dwarf Companion to a Star

NASA Astrophysics Data System (ADS)

Manjavacas, Elena; Apai, Dániel; Zhou, Yifan; Karalidi, Theodora; Lew, Ben W. P.; Schneider, Glenn; Cowan, Nicolas; Metchev, Stan; Miles-Páez, Paulo A.; Burgasser, Adam J.; Radigan, Jacqueline; Bedin, Luigi R.; Lowrance, Patrick J.; Marley, Mark S.

2018-01-01

Observations of rotational modulations of brown dwarfs and giant exoplanets allow the characterization of condensate cloud properties. As of now, rotational spectral modulations have only been seen in three L-type brown dwarfs. We report here the discovery of rotational spectral modulations in LP261-75B, an L6-type intermediate surface gravity companion to an M4.5 star. As a part of the Cloud Atlas Treasury program, we acquired time-resolved Wide Field Camera 3 grism spectroscopy (1.1–1.69 μm) of LP261-75B. We find gray spectral variations with the relative amplitude displaying only a weak wavelength dependence and no evidence for lower-amplitude modulations in the 1.4 μm water band than in the adjacent continuum. The likely rotational modulation period is 4.78 ± 0.95 hr, although the rotational phase is not well sampled. The minimum relative amplitude in the white light curve measured over the whole wavelength range is 2.41% ± 0.14%. We report an unusual light curve, which seems to have three peaks approximately evenly distributed in rotational phase. The spectral modulations suggests that the upper atmosphere cloud properties in LP261-75B are similar to two other mid-L dwarfs of typical infrared colors, but differ from that of the extremely red L-dwarf WISE0047.

Pair-correlated stereodynamics for diatom-diatom rotational energy transfer: NO(A2Σ+) + N2

NASA Astrophysics Data System (ADS)

Luxford, Thomas F. M.; Sharples, Thomas R.; McKendrick, Kenneth G.; Costen, Matthew. L.

2017-07-01

We have performed a crossed molecular beam velocity-map ion imaging study of state-to-state rotational energy transfer of NO(A2Σ+, v = 0, N = 0, j = 0.5) in collisions with N2 and have measured rotational angular momentum polarization dependent images of product NO(A) rotational levels N' = 3 and 5-11 for collisions at an average energy of 797 cm-1. We present an extension of our previously published [T. F. M. Luxford et al., J. Chem. Phys. 145, 174 304 (2016)] image analysis which includes the effect of rotational excitation of the unobserved collision partner and critically evaluate this methodology. We report differential cross sections and angle-resolved angular momentum alignment moments for NO(A) levels N' = 3 and 5-11 as a function of the rotational excitation of the coincident N2 partner. The scattering dynamics of NO(A) + N2 share similarities with those previously reported for NO(A) + Ne and Ar, although with detailed differences. We use comparison of the measurements reported here to the scattering of NO(A) with Ne, and the known NO(A)-Ne potential energy surface, to draw conclusions about the previously unknown NO(A)-N2 potential.

Detection and classification of resolved multiplet members of the solar 5 minute oscillations through solar diameter-type observations

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

Hill, H.A.

1985-03-15

Individual modes of low-degree 5 minute oscillations have been identified in solar diameter observations. These modes have n-values in the range 12< or =n< or =27 and l-values in the range 0< or =l< or =6, where n and l represent the radial order and the spherical harmonic degree of the eigenfunction respectively. In total, 184 modes belonging to 83 multiplets have been resolved and classified. The study of these modes has been accomplished without superposed-frequency analysis. It has been possible to estimate observationally the number of mode identifications that are incorrect because of coincidental frequency alignment of real ormore » aliased peaks of two different modes; these results indicate that roughly-equal15 of the 184 modes identified are incorrectly classified. The firstorder rotational splitting in m is consistent with that found by Hill, Bos, and Goode (1982); the resolved members of the multiplets yield, for example, a rotational splitting that is first order in m of -1.80 +- 0.03 ..mu..Hz for n = 17, l = 2. The observed second-order effect in m is sufficiently small that relatively little deviation from a Zeeman pattern occurs. The observed width of the individual modes is roughly-equal1 ..mu..Hz. The observed symmetry properties confirm both the detection of multiplets and the axial symmetry of the Sun as seen by these oscillations.« less

ROTATIONAL DYNAMICS AND STAR FORMATION IN THE NEARBY DWARF GALAXY NGC 5238

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

Cannon, John M.; McNichols, Andrew T.; Teich, Yaron G., E-mail: jcannon@macalester.edu, E-mail: amcnicho@nrao.edu, E-mail: yateich@gmail.com

2016-12-01

We present new H i spectral-line images of the nearby low-mass galaxy NGC 5238, acquired with the Karl G. Jansky Very Large Array. Located at a distance of 4.51 ± 0.04 Mpc, NGC 5238 is an actively star-forming galaxy with widespread H α and ultraviolet (UV) continuum emission. The source is included in many ongoing and recent nearby galaxy surveys, but until this work the spatially resolved qualities of its neutral interstellar medium have remained unstudied. Our H i images resolve the disk on physical scales of ∼400 pc, allowing us to undertake a detailed comparative study of the gaseous and stellar components. Themore » H i disk is asymmetric in the outer regions, and the areas of high H i mass surface density display a crescent-shaped morphology that is slightly offset from the center of the stellar populations. The H i column density exceeds 10{sup 21} cm{sup −2} in much of the disk. We quantify the degree of co-spatiality of dense H i gas and sites of ongoing star formation as traced by far-UV and H α emission. The neutral gas kinematics are complex; using a spatially resolved position–velocity analysis, we infer a rotational velocity of 31 ± 5 km s{sup −1}. We place NGC 5238 on the baryonic Tully–Fisher relation and contextualize the system among other low-mass galaxies.« less

Photon Doppler velocimetry measurements of transverse surface velocities

NASA Astrophysics Data System (ADS)

Johnson, C. R.; LaJeunesse, J. W.; Sable, P. A.; Dawson, A.; Hatzenbihler, A.; Borg, J. P.

2018-06-01

The goal of this work was to develop a technique for making transverse surface velocity measures utilizing Photon Doppler Velocimetry (PDV). Such a task is achieved by transmitting light and collecting Doppler-shifted light at an angle relative to the normal axis, where measured velocities are representative of a component of the transverse velocity. Because surface characteristics have an intrinsic effect on light scatter, different surface preparations were explored to direct reflectivity, including diffusion by means of sandpapering, or increasing retroreflectivity by coating with microspheres, milling v-cuts, and electrochemically etching grooves. Testing of these surface preparations was performed using an experiment featuring a 30 mm diameter aluminum disk rotating at 6000 or 6600 RPM. A single PDV collimator was positioned along the rotational axis of the disk at various angles, resolving the apparent transverse velocity. To characterize surface preparations, light return and velocities were recorded as a function of probe angle ranging from 0° to 51° from the surface normal for each preparation. Polished and electrochemically etched surfaces did not provide enough reflected light to resolve a beat frequency; however, sandpapered surfaces, retroreflective microspheres, and milled v-cuts provided adequate reflected light for incidence angles up to 51°. Applications of the surface preparations were then studied in gas gun experiments. Retroreflective microspheres were studied in a planar impact experiment, and milled v-cuts were studied in an oblique impact experiment. A normal and transverse profile of particle velocity was resolved in the oblique impact experiment.

NASTRAN forced vibration analysis of rotating cyclic structures

NASA Technical Reports Server (NTRS)

Elchuri, V.; Smith, G. C. C.; Gallo, A. M.

1983-01-01

Theoretical aspects of a new capability developed and implemented in NASTRAN level 17.7 to analyze forced vibration of a cyclic structure rotating about its axis of symmetry are presented. Fans, propellers, and bladed shrouded discs of turbomachines are some examples of such structures. The capability includes the effects of Coriolis and centripetal accelerations on the rotating structure which can be loaded with: (1) directly applied loads moving with the structure and (2) inertial loas due to the translational acceleration of the axis of rotation (''base' acceleration). Steady-state sinusoidal or general periodic loads are specified to represent: (1) the physical loads on various segments of the complete structure, or (2) the circumferential harmonic components of the loads in (1). The cyclic symmetry feature of the rotating structure is used in deriving and solving the equations of forced motion. Consequently, only one of the cyclic sectors is modelled and analyzed using finite elements, yielding substantial savings in the analysis cost. Results, however, are obtained for the entire structure. A tuned twelve bladed disc example is used to demonstrate the various features of the capability.

Reorientational Dynamics of Enzymes Adsorbed on Quartz: A Temperature-Dependent Time-Resolved TIRF Anisotropy Study

PubMed Central

Czeslik, C.; Royer, C.; Hazlett, T.; Mantulin, W.

2003-01-01

The preservation of enzyme activity and protein binding capacity upon protein adsorption at solid interfaces is important for biotechnological and medical applications. Because these properties are partly related to the protein flexibility and mobility, we have studied the internal dynamics and the whole-body reorientational rates of two enzymes, staphylococcal nuclease (SNase) and hen egg white lysozyme, over the temperature range of 20–80°C when the proteins are adsorbed at the silica/water interface and, for comparison, when they are dissolved in buffer. The data were obtained using a combination of two experimental techniques, total internal reflection fluorescence spectroscopy and time-resolved fluorescence anisotropy measurements in the frequency domain, with the protein Trp residues as intrinsic fluorescence probes. It has been found that the internal dynamics and the whole-body rotation of SNase and lysozyme are markedly reduced upon adsorption over large temperature ranges. At elevated temperatures, both protein molecules appear completely immobilized and the fractional amplitudes for the whole-body rotation, which are related to the order parameter for the local rotational freedom of the Trp residues, remain constant and do not approach zero. This behavior indicates that the angular range of the Trp reorientation within the adsorbed proteins is largely restricted even at high temperatures, in contrast to that of the dissolved proteins. The results of this study thus provide a deeper understanding of protein activity at solid surfaces. PMID:12668461

Direct shear mapping - a new weak lensing tool

NASA Astrophysics Data System (ADS)

de Burgh-Day, C. O.; Taylor, E. N.; Webster, R. L.; Hopkins, A. M.

2015-08-01

We have developed a new technique called direct shear mapping (DSM) to measure gravitational lensing shear directly from observations of a single background source. The technique assumes the velocity map of an unlensed, stably rotating galaxy will be rotationally symmetric. Lensing distorts the velocity map making it asymmetric. The degree of lensing can be inferred by determining the transformation required to restore axisymmetry. This technique is in contrast to traditional weak lensing methods, which require averaging an ensemble of background galaxy ellipticity measurements, to obtain a single shear measurement. We have tested the efficacy of our fitting algorithm with a suite of systematic tests on simulated data. We demonstrate that we are in principle able to measure shears as small as 0.01. In practice, we have fitted for the shear in very low redshift (and hence unlensed) velocity maps, and have obtained null result with an error of ±0.01. This high-sensitivity results from analysing spatially resolved spectroscopic images (i.e. 3D data cubes), including not just shape information (as in traditional weak lensing measurements) but velocity information as well. Spirals and rotating ellipticals are ideal targets for this new technique. Data from any large Integral Field Unit (IFU) or radio telescope is suitable, or indeed any instrument with spatially resolved spectroscopy such as the Sydney-Australian-Astronomical Observatory Multi-Object Integral Field Spectrograph (SAMI), the Atacama Large Millimeter/submillimeter Array (ALMA), the Hobby-Eberly Telescope Dark Energy Experiment (HETDEX) and the Square Kilometer Array (SKA).

Inferring planetary obliquity using rotational and orbital photometry

NASA Astrophysics Data System (ADS)

Schwartz, J. C.; Sekowski, C.; Haggard, H. M.; Pallé, E.; Cowan, N. B.

2016-03-01

The obliquity of a terrestrial planet is an important clue about its formation and critical to its climate. Previous studies using simulated photometry of Earth show that continuous observations over most of a planet's orbit can be inverted to infer obliquity. However, few studies of more general planets with arbitrary albedo markings have been made and, in particular, a simple theoretical understanding of why it is possible to extract obliquity from light curves is missing. Reflected light seen by a distant observer is the product of a planet's albedo map, its host star's illumination, and the visibility of different regions. It is useful to treat the product of illumination and visibility as the kernel of a convolution. Time-resolved photometry constrains both the albedo map and the kernel, the latter of which sweeps over the planet due to rotational and orbital motion. The kernel's movement distinguishes prograde from retrograde rotation for planets with non-zero obliquity on inclined orbits. We demonstrate that the kernel's longitudinal width and mean latitude are distinct functions of obliquity and axial orientation. Notably, we find that a planet's spin axis affects the kernel - and hence time-resolved photometry - even if this planet is east-west uniform or spinning rapidly, or if it is north-south uniform. We find that perfect knowledge of the kernel at 2-4 orbital phases is usually sufficient to uniquely determine a planet's spin axis. Surprisingly, we predict that east-west albedo contrast is more useful for constraining obliquity than north-south contrast.

Understanding rotation profile structures in ECH-heated plasmas using nonlinear gyrokinetic simulations

NASA Astrophysics Data System (ADS)

Wang, Weixing; Brian, B.; Ethier, S.; Chen, J.; Startsev, E.; Diamond, P. H.; Lu, Z.

2015-11-01

A non-diffusive momentum flux connecting edge momentum sources/sinks and core plasma flow is required to establish the off-axis peaked ion rotation profile typically observed in ECH-heated DIII-D plasmas without explicit external momentum input. The understanding of the formation of such profile structures provides an outstanding opportunity to test the physics of turbulence driving intrinsic rotation, and validate first-principles-based gyrokinetic simulation models. Nonlinear, global gyrokinetic simulations of DIII-D ECH plasmas indicate a substantial ITG fluctuation-induced residual stress generated around the region of peaked toroidal rotation, along with a diffusive momentum flux. The residual stress profile shows an anti-gradient, dipole structure, which is critical for accounting for the formation of the peaked rotation profile. It is showed that both turbulence intensity gradient and zonal flow ExB shear contribute to the generation of k// asymmetry needed for residual stress generation. By balancing the simulated residual stress and the momentum diffusion, a rotation profile is calculated. In general, the radial structure of core rotation profile is largely determined by the residual stress profile, while the amplitude of core rotation depends on the edge toroidal rotation velocity, which is determined by edge physics and used as a boundary condition in our model. The calculated core rotation profile is consistent with the experimental measurements. Also discussed is the modification of turbulence-generated Reynolds stress on poloidal rotation in those plasmas. Work supported by U.S. DOE Contract DE-AC02-09-CH11466.

Nuclear reactor

DOEpatents

Wade, Elman E.

1979-01-01

A nuclear reactor including two rotatable plugs and a positive top core holddown structure. The top core holddown structure is divided into two parts: a small core cover, and a large core cover. The small core cover, and the upper internals associated therewith, are attached to the small rotating plug, and the large core cover, with its associated upper internals, is attached to the large rotating plug. By so splitting the core holddown structures, under-the-plug refueling is accomplished without the necessity of enlarging the reactor pressure vessel to provide a storage space for the core holddown structure during refueling. Additionally, the small and large rotating plugs, and their associated core covers, are arranged such that the separation of the two core covers to permit rotation is accomplished without the installation of complex lifting mechanisms.

Internal rotation in halogenated toluenes: Rotational spectrum of 2,3-difluorotoluene

NASA Astrophysics Data System (ADS)

Nair, K. P. Rajappan; Herbers, Sven; Grabow, Jens-Uwe; Lesarri, Alberto

2018-07-01

The microwave rotational spectrum of 2,3-difluorotoluene has been studied by pulsed supersonic jet using Fourier transform microwave spectroscopy. The tunneling splitting due to the methyl internal rotation in the ground torsional state could be unambiguously identified and the three-fold (V3) potential barrier hindering the internal rotation of the methyl top was determined as 2518.70(15) J/mol. The ground-state rotational parameters for the parent and seven 13C isotopic species in natural abundance were determined with high accuracy, including all quartic centrifugal distortion constants. The molecular structure was derived using the substitution (rs) method. From the rotational constants of the different isotopic species the rs structure as well as the r0 structure was determined. Supporting ab initio (MP2) and DFT (B3LYP) calculations provided comparative values for the potential barrier and molecular parameters.

The influence of the aortic valve angle on the hemodynamic features of the thoracic aorta

NASA Astrophysics Data System (ADS)

Ha, Hojin; Kim, Guk Bae; Kweon, Jihoon; Lee, Sang Joon; Kim, Young-Hak; Kim, Namkug; Yang, Dong Hyun

2016-08-01

Since the first observation of a helical flow pattern in aortic blood flow, the existence of helical blood flow has been found to be associated with various pathological conditions such as bicuspid aortic valve, aortic stenosis, and aortic dilatation. However, an understanding of the development of helical blood flow and its clinical implications are still lacking. In our present study, we hypothesized that the direction and angle of aortic inflow can influence helical flow patterns and related hemodynamic features in the thoracic aorta. Therefore, we investigated the hemodynamic features in the thoracic aorta and various aortic inflow angles using patient-specific vascular phantoms that were generated using a 3D printer and time-resolved, 3D, phase-contrast magnetic resonance imaging (PC-MRI). The results show that the rotational direction and strength of helical blood flow in the thoracic aorta largely vary according to the inflow direction of the aorta, and a higher helical velocity results in higher wall shear stress distributions. In addition, right-handed rotational flow conditions with higher rotational velocities imply a larger total kinetic energy than left-handed rotational flow conditions with lower rotational velocities.

The influence of the aortic valve angle on the hemodynamic features of the thoracic aorta.

PubMed

Ha, Hojin; Kim, Guk Bae; Kweon, Jihoon; Lee, Sang Joon; Kim, Young-Hak; Kim, Namkug; Yang, Dong Hyun

2016-08-26

Since the first observation of a helical flow pattern in aortic blood flow, the existence of helical blood flow has been found to be associated with various pathological conditions such as bicuspid aortic valve, aortic stenosis, and aortic dilatation. However, an understanding of the development of helical blood flow and its clinical implications are still lacking. In our present study, we hypothesized that the direction and angle of aortic inflow can influence helical flow patterns and related hemodynamic features in the thoracic aorta. Therefore, we investigated the hemodynamic features in the thoracic aorta and various aortic inflow angles using patient-specific vascular phantoms that were generated using a 3D printer and time-resolved, 3D, phase-contrast magnetic resonance imaging (PC-MRI). The results show that the rotational direction and strength of helical blood flow in the thoracic aorta largely vary according to the inflow direction of the aorta, and a higher helical velocity results in higher wall shear stress distributions. In addition, right-handed rotational flow conditions with higher rotational velocities imply a larger total kinetic energy than left-handed rotational flow conditions with lower rotational velocities.

The influence of the aortic valve angle on the hemodynamic features of the thoracic aorta

PubMed Central

Ha, Hojin; Kim, Guk Bae; Kweon, Jihoon; Lee, Sang Joon; Kim, Young-Hak; Kim, Namkug; Yang, Dong Hyun

2016-01-01

Since the first observation of a helical flow pattern in aortic blood flow, the existence of helical blood flow has been found to be associated with various pathological conditions such as bicuspid aortic valve, aortic stenosis, and aortic dilatation. However, an understanding of the development of helical blood flow and its clinical implications are still lacking. In our present study, we hypothesized that the direction and angle of aortic inflow can influence helical flow patterns and related hemodynamic features in the thoracic aorta. Therefore, we investigated the hemodynamic features in the thoracic aorta and various aortic inflow angles using patient-specific vascular phantoms that were generated using a 3D printer and time-resolved, 3D, phase-contrast magnetic resonance imaging (PC-MRI). The results show that the rotational direction and strength of helical blood flow in the thoracic aorta largely vary according to the inflow direction of the aorta, and a higher helical velocity results in higher wall shear stress distributions. In addition, right-handed rotational flow conditions with higher rotational velocities imply a larger total kinetic energy than left-handed rotational flow conditions with lower rotational velocities. PMID:27561388

Ultramassive (about 10 to the 11th solar mass) dark core in the luminous infrared galaxy NGC 6240?

NASA Technical Reports Server (NTRS)

Bland-Hawthorn, Jonathan; Wilson, Andrew S.; Tully, R. Brent

1991-01-01

The first complete kinematic maps for the superluminous IR galaxy NGC 6240 are reported. The data reveal two dynamical disks that exhibit radically different rotation and are closely spaced in velocity and position. One disk is roughly aligned with the major axis of the near-IR continuum and exhibits flat rotation out to about 20 arsec in radius, centered on the doubled nucleus seen at optical, near-IR, and radio wavelengths. The rotation turns over at r(t1) roughly 7.2 arcsec with a peak-to-peak velocity amplitude of roughly 280/sin i1 km/s, where i1 is the disk inclination. The rotation curve of the second disk comprises an unresolved or marginally resolved central velocity gradient with a peak-to-peak amplitude of roughly 800/sin i2 km/s within r(t2) of 2.5 arcsec, and a faster than Keplerian dropoff outside r(t2). The peak rotation implies a compact mass M2 greater than 4.5 x 10 to the 10th solar mass/sin-squared i2 within a radius of 1.2 kpc.

Use of Faraday-rotation data from beacon satellites to determine ionospheric corrections for interplanetary spacecraft navigation

NASA Technical Reports Server (NTRS)

Royden, H. N.; Green, D. W.; Walson, G. R.

1981-01-01

Faraday-rotation data from the linearly polarized 137-MHz beacons of the ATS-1, SIRIO, and Kiku-2 geosynchronous satellites are used to determine the ionospheric corrections to the range and Doppler data for interplanetary spacecraft navigation. The JPL operates the Deep Space Network of tracking stations for NASA; these stations monitor Faraday rotation with dual orthogonal, linearly polarized antennas, Teledyne polarization tracking receivers, analog-to-digital converter/scanners, and other support equipment. Computer software examines the Faraday data, resolves the pi ambiguities, constructs a continuous Faraday-rotation profile and converts the profile to columnar zenith total electron content at the ionospheric reference point; a second program computes the line-of-sight ionospheric correction for each pass of the spacecraft over each tracking complex. Line-of-sight ionospheric electron content using mapped Faraday-rotation data is compared with that using dispersive Doppler data from the Voyager spacecraft; a difference of about 0.4 meters, or 5 x 10 to the 16th electrons/sq m is obtained. The technique of determining the electron content of interplanetary plasma by subtraction of the ionospheric contribution is demonstrated on the plasma torus surrounding the orbit of Io.

A projection-based model reduction strategy for the wave and vibration analysis of rotating periodic structures

NASA Astrophysics Data System (ADS)

Beli, D.; Mencik, J.-M.; Silva, P. B.; Arruda, J. R. F.

2018-05-01

The wave finite element method has proved to be an efficient and accurate numerical tool to perform the free and forced vibration analysis of linear reciprocal periodic structures, i.e. those conforming to symmetrical wave fields. In this paper, its use is extended to the analysis of rotating periodic structures, which, due to the gyroscopic effect, exhibit asymmetric wave propagation. A projection-based strategy which uses reduced symplectic wave basis is employed, which provides a well-conditioned eigenproblem for computing waves in rotating periodic structures. The proposed formulation is applied to the free and forced response analysis of homogeneous, multi-layered and phononic ring structures. In all test cases, the following features are highlighted: well-conditioned dispersion diagrams, good accuracy, and low computational time. The proposed strategy is particularly convenient in the simulation of rotating structures when parametric analysis for several rotational speeds is usually required, e.g. for calculating Campbell diagrams. This provides an efficient and flexible framework for the analysis of rotordynamic problems.

Time-resolved stimulated emission depletion and energy transfer dynamics in two-photon excited EGFP

NASA Astrophysics Data System (ADS)

Masters, T. A.; Robinson, N. A.; Marsh, R. J.; Blacker, T. S.; Armoogum, D. A.; Larijani, B.; Bain, A. J.

2018-04-01

Time and polarization-resolved stimulated emission depletion (STED) measurements are used to investigate excited state evolution following the two-photon excitation of enhanced green fluorescent protein (EGFP). We employ a new approach for the accurate STED measurement of the hitherto unmeasured degree of hexadecapolar transition dipole moment alignment ⟨α40 ⟩ present at a given excitation-depletion (pump-dump) pulse separation. Time-resolved polarized fluorescence measurements as a function of pump-dump delay reveal the time evolution of ⟨α40 ⟩ to be considerably more rapid than predicted for isotropic rotational diffusion in EGFP. Additional depolarization by homo-Förster resonance energy transfer is investigated for both ⟨α20 ⟩ (quadrupolar) and ⟨α40 ⟩ transition dipole alignments. These results point to the utility of higher order dipole correlation measurements in the investigation of resonance energy transfer processes.

Spatially-resolved Spectroscopy of the IC443 Pulsar Wind Nebula and Environs

NASA Astrophysics Data System (ADS)

Swartz, Douglas A.; Weisskopf, M. C.; Zavlin, V.; Bucciantini, N.; Clarke, T. E.; Karovska, M.; Pavlov, G. G.; van der Horst, A.; Yukita, M.

2013-04-01

Deep Chandra ACIS observations of the region around the putative pulsar, CXO J061705.3+222127, in the supernova remnant IC443 confirm that (1) the spectrum and flux of the central object are consistent with a rotation-powered pulsar interpretation, (2) the non-thermal surrounding nebula is likely powered by a pulsar wind, and (3) the thermal-dominated spectrum at greater distances is consistent with emission from the supernova remnant. The observations further reveal, for the first time, a ring-like morphology surrounding the pulsar and a jet-like structure oriented roughly north-south across the ring and through the pulsar location. The cometary shape of the nebula, suggesting motion towards the southwest, appears to be subsonic; there is no evidence for a strong bow shock and the ring, presumably formed at a wind termination shock, is not distorted by motion through the ambient medium.

Interaction of mammalian seminal plasma protein PDC-109 with cholesterol: implications for a putative CRAC domain.

PubMed

Scolari, Silvia; Müller, Karin; Bittman, Robert; Herrmann, Andreas; Müller, Peter

2010-10-26

Seminal plasma proteins of the fibronectin type II (Fn2) family modulate mammalian spermatogenesis by triggering the release of the lipids phosphatidylcholine and cholesterol from sperm cells. Whereas the specific interaction of these proteins with phosphatidylcholine is well-understood, their selectivity for cholesterol is unknown. To characterize the interaction between the bovine Fn2 protein PDC-109 and cholesterol, we have investigated the effect of PDC-109 on the dynamics of fluorescent cholesterol analogues in lipid vesicles by time-resolved fluorescence anisotropy. The data show that PDC-109 decreases the rotational mobility of cholesterol within the membrane and that the extent of this impact depends on the cholesterol structure, indicating a specific influence of PDC-109 on cholesterol. We propose that the cholesterol recognition/interaction amino acid consensus (CRAC) regions of PDC-109 are involved in the interaction with cholesterol.

Spatially-resolved Spectroscopy of the IC443 Pulsar Wind Nebula and Environs

NASA Technical Reports Server (NTRS)

Swartz, D. A.; Weisskopf, M. C.; Zavlin, V. E.; Bucciantini, N.; Clarke, T. E.; Karovska, M.; Pavlov, G. G.; O'Dell, S. L.; vanderHorst, A J.; Yukita, M.

2013-01-01

Deep Chandra ACIS observations of the region around the putative pulsar, CXOU J061705.3+222117, in the supernova remnant IC443 reveal, for the first time, a ring-like morphology surrounding the pulsar and a jet-like structure oriented roughly north-south across the ring and through the pulsar location. The observations further confirm that (1) the spectrum and flux of the central object are consistent with a rotation-powered pulsar interpretation, (2) the non-thermal surrounding nebula is likely powered by the pulsar wind, and (3) the thermal-dominated spectrum at greater distances is consistent with emission from the supernova remnant. The cometary shape of the nebula, suggesting motion towards the southwest (or, equivalently, flow of ambient medium to the northeast), appears to be subsonic; there is no evidence for a strong bow shock, and the circular ring is not distorted by motion through the ambient medium.

Slow Photoelectron Velocity-Map Imaging of Cryogenically Cooled Anions

NASA Astrophysics Data System (ADS)

Weichman, Marissa L.; Neumark, Daniel M.

2018-04-01

Slow photoelectron velocity-map imaging spectroscopy of cryogenically cooled anions (cryo-SEVI) is a powerful technique for elucidating the vibrational and electronic structure of neutral radicals, clusters, and reaction transition states. SEVI is a high-resolution variant of anion photoelectron spectroscopy based on photoelectron imaging that yields spectra with energy resolution as high as 1-2 cm‑1. The preparation of cryogenically cold anions largely eliminates hot bands and dramatically narrows the rotational envelopes of spectral features, enabling the acquisition of well-resolved photoelectron spectra for complex and spectroscopically challenging species. We review the basis and history of the SEVI method, including recent experimental developments that have improved its resolution and versatility. We then survey recent SEVI studies to demonstrate the utility of this technique in the spectroscopy of aromatic radicals, metal and metal oxide clusters, nonadiabatic interactions between excited states of small molecules, and transition states of benchmark bimolecular reactions.

Resolution doubling in fluorescence microscopy with confocal spinning-disk image scanning microscopy.

PubMed

Schulz, Olaf; Pieper, Christoph; Clever, Michaela; Pfaff, Janine; Ruhlandt, Aike; Kehlenbach, Ralph H; Wouters, Fred S; Großhans, Jörg; Bunt, Gertrude; Enderlein, Jörg

2013-12-24

We demonstrate how a conventional confocal spinning-disk (CSD) microscope can be converted into a doubly resolving image scanning microscopy (ISM) system without changing any part of its optical or mechanical elements. Making use of the intrinsic properties of a CSD microscope, we illuminate stroboscopically, generating an array of excitation foci that are moved across the sample by varying the phase between stroboscopic excitation and rotation of the spinning disk. ISM then generates an image with nearly doubled resolution. Using conventional fluorophores, we have imaged single nuclear pore complexes in the nuclear membrane and aggregates of GFP-conjugated Tau protein in three dimensions. Multicolor ISM was shown on cytoskeletal-associated structural proteins and on 3D four-color images including MitoTracker and Hoechst staining. The simple adaptation of conventional CSD equipment allows superresolution investigations of a broad variety of cell biological questions.

Resolution doubling in fluorescence microscopy with confocal spinning-disk image scanning microscopy

PubMed Central

Schulz, Olaf; Pieper, Christoph; Clever, Michaela; Pfaff, Janine; Ruhlandt, Aike; Kehlenbach, Ralph H.; Wouters, Fred S.; Großhans, Jörg; Bunt, Gertrude; Enderlein, Jörg

2013-01-01

We demonstrate how a conventional confocal spinning-disk (CSD) microscope can be converted into a doubly resolving image scanning microscopy (ISM) system without changing any part of its optical or mechanical elements. Making use of the intrinsic properties of a CSD microscope, we illuminate stroboscopically, generating an array of excitation foci that are moved across the sample by varying the phase between stroboscopic excitation and rotation of the spinning disk. ISM then generates an image with nearly doubled resolution. Using conventional fluorophores, we have imaged single nuclear pore complexes in the nuclear membrane and aggregates of GFP-conjugated Tau protein in three dimensions. Multicolor ISM was shown on cytoskeletal-associated structural proteins and on 3D four-color images including MitoTracker and Hoechst staining. The simple adaptation of conventional CSD equipment allows superresolution investigations of a broad variety of cell biological questions. PMID:24324140

The ground state infrared spectrum of the MnH radical ( 7Σ) from diode laser spectroscopy

NASA Astrophysics Data System (ADS)

Urban, Rolf-Dieter; Jones, Harold

1989-11-01

The infrared spectrum of the manganese hydride radical ( 55MnH) in its ground electronic state ( 7Σ) has been observed using a diode laser spectrometer. The wavenumbers of twelve transitions of the v=1→0 band, five of the v=2→1 band and seven of the v=3→2 band have been measured with a nominal accuracy of ±0.001 cm -1. Coupling between the electronic spin ( S=3) and the overall molecular rotation causes each ro-vibrational transition with N>3 to be split (γ splitting) into seven components each separated by a few hundredths of a wavenumber. In most cases the complete structure was resolved. Correction terms arising from spin-spin coupling had to be included in the analysis. This work has produced the most accurate set of ground-state parameters available for MnH.

Identification of a new low energy 1u state in dicopper with resonant four-wave mixing.

PubMed

Visser, B; Beck, M; Bornhauser, P; Knopp, G; van Bokhoven, J A; Marquardt, R; Gourlaouen, C; Radi, P P

2017-12-07

The low energy electronic structure of the copper dimer has been re-investigated using non-linear four-wave mixing spectroscopy and high level ab initio calculations. In addition to the measurement of the previously reported A, B, and C electronic states, a new state denoted A' is identified with T 0 = 20 100.4090(16) cm -1 ( 63 Cu 2 ). Rotational analysis of the A'-X (0,0) and (1,0) transitions leads to the assignment of A' 1 u . Ab initio calculations present the first theoretical description of the low energy states of the copper dimer in Hund's case (c) and confirm the experimental assignment. The discovery of this new low energy excited state emphasizes that spin-orbit coupling is significant in states with d-hole electronic configurations and resolves a decades-long mystery in the initial assignment of the A state.

Eddy current imaging for electrical characterization of silicon solar cells and TCO layers

NASA Astrophysics Data System (ADS)

Hwang, Byungguk; Hillmann, Susanne; Schulze, Martin; Klein, Marcus; Heuer, Henning

2015-03-01

Eddy Current Testing has been mainly used to determine defects of conductive materials and wall thicknesses in heavy industries such as construction or aerospace. Recently, high frequency Eddy Current imaging technology was developed. This enables the acquirement of information of different depth level in conductive thin-film structures by realizing proper standard penetration depth. In this paper, we summarize the state of the art applications focusing on PV industry and extend the analysis implementing achievements by applying spatially resolved Eddy Current Testing. The specific state of frequency and complex phase angle rotation demonstrates diverse defects from front to back side of silicon solar cells and characterizes homogeneity of sheet resistance in Transparent Conductive Oxide (TCO) layers. In order to verify technical feasibility, measurement results from the Multi Parameter Eddy Current Scanner, MPECS are compared to the results from Electroluminescence.

V1494 Aql: Eclipsing Fast Nova with an Unusual Orbital Light Curve

NASA Astrophysics Data System (ADS)

Kato, Taichi; Ishioka, Ryoko; Uemura, Makoto; Starkey, Donn R.; Krajci, Tom

2004-03-01

We present the time-resolved photometry of V1494 Aql (Nova Aql 1999 No. 2) between 2001 November and 2003 June. The object is confirmed to be an eclipsing nova with a period of 0.1346138(2)d. The eclipses were present in all observed epochs. The orbital light curve shows a rather unusual profile, consisting of a bump-like feature at phase 0.6-0.7 and a dip-like feature at phase 0.2-0.4. These features were probably persistently present in all available observations between 2001 and 2003. A period analysis outside of the eclipses has confirmed that these variations have a period common to the orbital period, and are unlikely to be interpreted as superhumps. We suspect that the structure (probably in the accretion disk) fixed in the binary rotational frame is somehow responsible for this feature.

In-plane electronic anisotropy of underdoped '122' Fe-arsenide superconductors revealed by measurements of detwinned single crystals

NASA Astrophysics Data System (ADS)

Fisher, I. R.; Degiorgi, L.; Shen, Z. X.

2011-12-01

The parent phases of the Fe-arsenide superconductors harbor an antiferromagnetic ground state. Significantly, the Néel transition is either preceded or accompanied by a structural transition that breaks the four-fold symmetry of the high-temperature lattice. Borrowing language from the field of soft condensed matter physics, this broken discrete rotational symmetry is widely referred to as an Ising nematic phase transition. Understanding the origin of this effect is a key component of a complete theoretical description of the occurrence of superconductivity in this family of compounds, motivating both theoretical and experimental investigation of the nematic transition and the associated in-plane anisotropy. Here we review recent experimental progress in determining the intrinsic in-plane electronic anisotropy as revealed by resistivity, reflectivity and angle-resolved photoemission spectroscopy measurements of detwinned single crystals of underdoped Fe-arsenide superconductors in the '122' family of compounds.

Probing the extreme wind confinement of the most magnetic O star with COS spectroscopy

NASA Astrophysics Data System (ADS)

Petit, Veronique

2014-10-01

We propose to obtain phase-resolved UV spectroscopy of the recently discovered magnetic O star NGC 1624-2, which has the strongest magnetic field ever detected in a O-star, by an order of magnitude. We will use the strength and variability of the UV resonance line profiles to diagnose the density, velocity, and ionization structure of NGC 1624-2's enormous magnetosphere that results from entrapment of its stellar wind by its strong, nearly dipolar magnetic field. With this gigantic magnetosphere, NGC 1624-2 represents a new regime of extreme wind confinement that will constrain models of magnetized winds and their surface mass flux properties. A detailed understanding of such winds is necessary to study the rotational braking history of magnetic O-stars, which can shed new light on the fundamental origin of magnetism in massive, hot stars.

Binding-Induced Fluorescence of Serotonin Transporter Ligands: A Spectroscopic and Structural Study of 4-(4-(Dimethylamino)phenyl)-1-methylpyridinium (APP+) and APP+ Analogues

PubMed Central

2014-01-01

The binding-induced fluorescence of 4-(4-(dimethylamino)-phenyl)-1-methylpyridinium (APP+) and two new serotonin transporter (SERT)-binding fluorescent analogues, 1-butyl-4-[4-(1-dimethylamino)phenyl]-pyridinium bromide (BPP+) and 1-methyl-4-[4-(1-piperidinyl)phenyl]-pyridinium (PPP+), has been investigated. Optical spectroscopy reveals that these probes are highly sensitive to their chemical microenvironment, responding to variations in polarity with changes in transition energies and responding to changes in viscosity or rotational freedom with emission enhancements. Molecular docking calculations reveal that the probes are able to access the nonpolar and conformationally restrictive binding pocket of SERT. As a result, the probes exhibit previously not identified binding-induced turn-on emission that is spectroscopically distinct from dyes that have accumulated intracellularly. Thus, binding and transport dynamics of SERT ligands can be resolved both spatially and spectroscopically. PMID:24460204

Starless Cores as Fundamental Physics Labs

NASA Astrophysics Data System (ADS)

Mignano, Arturo; Molaro, Paolo; Levshakov, Sergei; Centurión, Miriam; Maccaferri, Giuseppe; Lapinov, Alexander

We present high resolution observations in the starless dense molecular core L1512 performed with the Medicina 32m radio telescope. The resolved hfs components of HC3N and NH3 show no kinematic sub-structure and consist of an apparently symmetric peak profile without broadened line wings or self-absorption features suggesting that they sample the same material. The velocity dispersion is 101( ± 1) m s - 1for NH3 and 85( ± 2) m s - 1 for HC3N. The kinetic temperature of the cloud is estimated at 9.2 ( ± 1.2) K and the turbulence is of 76 m s - 1in a subsonic regime. This places L1512 among the most quiescent dark cores and makes it an ideal laboratory to study variations of the electron-to-proton mass ratio, μ = {m}e/{m}p by means of observations of inversion lines of NH3 combined with rotational lines of other molecular species.

Anomalous heating and plasmoid formation in a driven magnetic reconnection experiment

DOE PAGES

Hare, J. D.; Suttle, L.; Lebedev, S. V.; ...

2017-02-21

We present a detailed study of magnetic reconnection in a quasi-two-dimensional pulsed-power driven laboratory experiment. Oppositely directed magnetic fields (B=3 T), advected by supersonic, sub-Alfvénic carbon plasma flows (V in = 50 km/s), are brought together and mutually annihilate inside a thin current layer (δ = 0.6 mm). Temporally and spatially resolved optical diagnostics, including interferometry, Faraday rotation imaging, and Thomson scattering, allow us to determine the structure and dynamics of this layer, the nature of the inflows and outflows, and the detailed energy partition during the reconnection process. We measure high electron and ion temperatures (T e = 100more » eV, T i = 600 eV), far in excess of what can be attributed to classical (Spitzer) resistive and viscous dissipation. Finally, we observe the repeated formation and ejection of plasmoids, consistent with the predictions from semicollisional plasmoid theory.« less

Confinement and Diffusion Effects in Dynamical Nuclear Polarization in Low Dimensional Nanostructures

NASA Astrophysics Data System (ADS)

Henriksen, Dan; Tifrea, Ionel

2012-02-01

We investigate the dynamic nuclear polarization as it results from the hyperfine coupling between nonequilibrium electronic spins and nuclear spins in semiconductor nanostructures. The natural confinement provided by low dimensional nanostructures is responsible for an efficient nuclear spin - electron spin hyperfine coupling [1] and for a reduced value of the nuclear spin diffusion constant [2]. In the case of optical pumping, the induced nuclear spin polarization is position dependent even in the presence of nuclear spin diffusion. This effect should be measurable via optically induced nuclear magnetic resonance or time-resolved Faraday rotation experiments. We discuss the implications of our calculations for the case of GaAs quantum well structures.[4pt] [1] I. Tifrea and M. E. Flatt'e, Phys. Rev. B 84, 155319 (2011).[0pt] [2] A. Malinowski and R. T. Harley, Solid State Commun. 114, 419 (2000).

Resolution and Kinematics of Molecular Gas Surrounding the Cloverleaf Quasar at Z = 2.6 Using the Gravitational Lens

NASA Astrophysics Data System (ADS)

Yun, M. S.; Scoville, N. Z.; Carrasco, J. J.; Blandford, R. D.

1997-04-01

Gravitational lenses have long been advertised as primitive telescopes, capable of magnifying cosmologically distant sources. In this Letter we present new, 0.9" resolution CO (7-6) observations of the z = 2.56 Cloverleaf quasar (H1413+117) and spatially resolved images. By modeling the gravitational lens, we infer a size scale of 0.3" (~1 kpc) for the molecular gas structure surrounding the quasar, and the gas has a kinematic structure roughly consistent with a rotating disk. The observed properties of the CO-emitting gas are similar to the nuclear starburst complexes found in the infrared luminous galaxies in the local universe, and metal enrichment by vigorous star formation within this massive nuclear gas complex can explain the abundance of carbon and oxygen in the interstellar medium of this system observed when the universe was only a few billion years old. Obtaining corresponding details in an unlensed object at similar distances would be well beyond the reach of current instruments, and this study highlights the less exploited yet powerful use of a gravitational lens as a natural telescope.

A new probe of the magnetic field power spectrum in cosmic web filaments

NASA Astrophysics Data System (ADS)

Hales, Christopher A.; Greiner, Maksim; Ensslin, Torsten A.

2015-08-01

Establishing the properties of magnetic fields on scales larger than galaxy clusters is critical for resolving the unknown origin and evolution of galactic and cluster magnetism. More generally, observations of magnetic fields on cosmic scales are needed for assessing the impacts of magnetism on cosmology, particle physics, and structure formation over the full history of the Universe. However, firm observational evidence for magnetic fields in large scale structure remains elusive. In an effort to address this problem, we have developed a novel statistical method to infer the magnetic field power spectrum in cosmic web filaments using observation of the two-point correlation of Faraday rotation measures from a dense grid of extragalactic radio sources. Here we describe our approach, which embeds and extends the pioneering work of Kolatt (1998) within the context of Information Field Theory (a statistical theory for Bayesian inference on spatially distributed signals; Enfllin et al., 2009). We describe prospects for observation, for example with forthcoming data from the ultra-deep JVLA CHILES Con Pol survey and future surveys with the SKA.

Pulsed EPR measurements on reaction rate constants for addition of photo-generated radicals to double bonds of diethyl fumarate and diethyl maleate

NASA Astrophysics Data System (ADS)

Takahashi, Hirona; Hagiwara, Kenta; Kawai, Akio

2016-11-01

Addition reaction of photo-generated radicals to double bonds of diethyl fumarate (deF) and diethyl maleate (deM), which are geometrical isomers, was studied by means of time-resolved- (TR-) and pulsed-electron paramagnetic resonance (EPR). Analysis of TR-EPR spectra indicates that adduct radicals from deF and deM should have the same structure. The double bonds of these monomers are converted to single ones by addition reaction, which allows hindered internal rotation to give the same structure of adduct radical. The rate constants for addition reaction of photo-generated radicals were determined by Stern-Volmer analysis of the decay time of electron spin-echo intensity of these radicals measured by the pulsed EPR method. Rate constants for deF were found to be larger than those for deM. This relation is in good consistent with efficiency of polymerisation of deF and deM. Experimentally determined rate constants were evaluated by introducing the addition reaction model on the basis of two important factors enthalpy and polar effects.

Symmetry and lattice mismatch induced strain accommodation near and away from correlated perovskite interfaces

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

Vailionis, A.; Boschker, H.; Max Planck Institute for Solid State Research, 70569 Stuttgart

2014-09-29

Distinct MnO{sub 6} octahedral distortions near and away from the La{sub 0.67}Sr{sub 0.33}MnO{sub 3}/SrTiO{sub 3}(001) (LSMO/STO) interface are quantified using synchrotron x-ray diffraction and dynamical x-ray diffraction simulations. Three structural regions of stress accommodation throughout the film thickness were resolved: near the LSMO/STO interface, intermediate region farther from the interface, and the main layer away from the interface. The results show that within the first two unit cells stress is accommodated by the suppression of octahedral rotations in the film, leading to the expansion of the c-axis lattice parameter. Farther from the interface film structure acquires octahedral tilts similar tomore » thicker perovskite films under tensile stress, leading to a reduced c-axis parameter. We demonstrate that these regions are related to two different strain coupling mechanisms: symmetry mismatch at the interface and lattice mismatch in the rest of the film. The findings suggest new routes for strain engineering in correlated perovskite heterostructures.« less

Electronic transitions of tantalum monofluoride

NASA Astrophysics Data System (ADS)

Ng, K. F.; Zou, Wenli; Liu, Wenjian; Cheung, A. S.-C.

2017-03-01

The electronic transition spectrum of the tantalum monofluoride (TaF) molecule in the spectral region between 448 and 560 nm has been studied using the technique of laser-ablation/reaction free jet expansion and laser induced fluorescence spectroscopy. The TaF molecule was produced by reacting laser-ablated tantalum atoms with sulfur hexafluoride gas seeded in argon. Twenty-two vibrational bands with resolved rotational structure have been recorded and analyzed, which were organized into seven electronic transitions. The X3Σ-(0+) state has been identified to be the ground state and the determined equilibrium bond length, re, and vibrational frequency, ωe, are 1.8184 Å and 700.1 cm-1, respectively. The low-lying Λ-S states and Ω sub-states of TaF were also theoretically studied at the MRCISD+Q level of theory with spin-orbit coupling. The Ω = 0+ and 2 sub-states from the -3Σ and 3Φ state have been found to be the ground and the first excited states, respectively, which agrees well with our experimental determinations. This work represents the first experimental investigation of the molecular structure of the TaF molecule.

Role of radiative-convective feedbacks in tropical cyclogenesis in rotating radiative-convective equilibrium simulations

NASA Astrophysics Data System (ADS)

Wing, A. A.; Camargo, S. J.; Sobel, A. H.

2015-12-01

"Self-aggregation" is a mode of convective organization found in idealized numerical simulations, in which there is a spontaneous transition from randomly distributed to organized convection despite homogeneous boundary conditions. Self-aggregation has primarily been studied in a non-rotating framework, but it has been hypothesized to be important to tropical cyclogenesis. In numerical simulations of tropical cyclones, a broad vortex or saturated column is often used to initialize the circulation. Here, we instead allow a circulation to develop spontaneously from a homogeneous environment in 3-d cloud-resolving simulations of radiative-convective equilibrium in a rotating framework, with interactive radiation and surface fluxes and fixed sea surface temperature. The goals of this study are two-fold: to study tropical cyclogenesis in an unperturbed environment free from the influence of a prescribed initial vortex or external disturbances, and to compare cyclogenesis to non-rotating self-aggregation. We quantify the feedbacks leading to tropical cyclogenesis using a variance budget equation for the vertically integrated frozen moist static energy. In the initial development of a broad circulation, the feedback processes are similar to the initial phase of non-rotating aggregation. Sensitivity tests in which the degree of interactive radiation is modified are also performed to determine the extent to which the radiative feedbacks that are essential to non-rotating self-aggregation are important for tropical cyclogenesis. Finally, we examine the evolution of the rotational and divergent flow, to determine the point at which rotation becomes important and the cyclogenesis process begins to differ from non-rotating aggregation.

Exploring Cosmic X-ray Source Polarization

NASA Technical Reports Server (NTRS)

Swank, Jean Hebb; Jahodal, K.; Kallman, T. R.; Kaaret, P.

2008-01-01

Cosmic X-ray sources are expected to be polarized, either because of their asymmetry and the role of scattering in their emission or the role of magnetic fields. Polarization at other wavelengths has been useful. X-ray polarization will provide a new handle on black hole parameters, in particular the spin, on accretion flows and outflows, on neutron star spin orientations and emission mechanisms, on the quantum mechanical effects of super-strong magnetic fields of magnetars, and on the structure of supernovae shocks. The proposed Gravity and Extreme Magnetism SMEX (GEMS) will use high efficiency polarimeters behind thin foil mirrors. The statistical sensitivity and control of systematics will allow measurement of polarization fractions as small as 1% from many galactic and extragalactic sources. Targets which should be polarized at the level that GEMS can easily measure include stellar black holes, Seyfert galaxies and quasars, blazars, rotation-powered and accretion-powered pulsars, magnetars, shell supernova remnants and pulsar wind nebulae. The polarimeters are Time Projection Chambers that allow reconstruction of images of photoelectron tracks for 2-10 keV Xrays. They can be deep without sacrificing modulation. These polarimeters do not image the sky, but the telescope point spread function and detector collimation allow structure to be resolved at the 10 arcmin level. Rotation of the spacecraft is not needed for the signal measurement in the Time Projection Chambers, but provides for measurement and correction of systematic errors. It also allows a small Bragg reflection soft X-ray experiment to be included that can be used for isolated neutron stars and blazars.

Rotatable electric cable connecting system

NASA Technical Reports Server (NTRS)

Manges, D. R. (Inventor)

1985-01-01

A cable reel assembly is described which is particularly adapted for, but not limited to, a system for providing electrical connection of power and data signals between an orbiter vehicle, such as a space shuttle, and a recovered satellite. The assembly is comprised of two mutually opposing ring type structures having 180 deg relative rotation with one of the structures being held in fixed position while the other structure is rotatable. Motor controlled berthing latches and umbilical cable connectors for the satellite are located on the rim of the rotatable ring structure. The electrical cable assembly is fed in two sections from the orbiter vehicle into the outer rim portion of the fixed ring structure where they are directed inwardly and attached to two concentrically coiled metal bands whose respective ends are secured to inner and outer post members of circular sets of guide pins located on opposing circular plate members, one rotatable and one fixed. The cable sections are fed out as three output cable sections through openings in the central portion of the circular plate of the rotatable ring structure where they are directed to the latches and connectors located on its rim.

Solid state lighting devices and methods with rotary cooling structures

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

Koplow, Jeffrey P.

Solid state lighting devices and methods for heat dissipation with rotary cooling structures are described. An example solid state lighting device includes a solid state light source, a rotating heat transfer structure in thermal contact with the solid state light source, and a mounting assembly having a stationary portion. The mounting assembly may be rotatably coupled to the heat transfer structure such that at least a portion of the mounting assembly remains stationary while the heat transfer structure is rotating. Examples of methods for dissipating heat from electrical devices, such as solid state lighting sources are also described. Heat dissipationmore » methods may include providing electrical power to a solid state light source mounted to and in thermal contact with a heat transfer structure, and rotating the heat transfer structure through a surrounding medium.« less

Space station rotational equations of motion

NASA Technical Reports Server (NTRS)

Rheinfurth, M. H.; Carroll, S. N.

1985-01-01

Dynamic equations of motion are developed which describe the rotational motion for a large space structure having rotating appendages. The presence of the appendages produce torque coupling terms which are dependent on the inertia properties of the appendages and the rotational rates for both the space structure and the appendages. These equations were formulated to incorporate into the Space Station Attitude Control and Stabilization Test Bed to accurately describe the influence rotating solar arrays and thermal radiators have on the dynamic behavior of the Space Station.

Structure-property evolution during polymer crystallization

NASA Astrophysics Data System (ADS)

Arora, Deepak

The main theme of this research is to understand the structure-property evolution during crystallization of a semicrystalline thermoplastic polymer. A combination of techniques including rheology, small angle light scattering, differential scanning calorimetry and optical microscopy are applied to follow the mechanical and optical properties along with crystallinity and the morphology. Isothermal crystallization experiments on isotactic poly-1-butene at early stages of spherulite growth provide quantitative information about nucleation density, volume fraction of spherulites and their crystallinity, and the mechanism of connecting into a sample spanning structure. Optical microscopy near the fluid-to-solid transition suggests that the transition, as determined by time-resolved mechanical spectroscopy, is not caused by packing/jamming of spherulites but by the formation of a percolating network structure. The effect of strain, Weissenberg number (We ) and specific mechanical work (w) on rate of crystallization (nucleation followed by growth) and on growth of anisotropy was studied for shear-induced crystallization of isotactic poly-1-butene. The samples were sheared for a finite strain at the beginning of the experiment and then crystallized without further flow (Janeschitz-Kriegl protocol). Strain requirements to attain steady state/leveling off of the rate of crystallization were found to be much larger than the strain needed to achieve steady state of flow. The large strain and We>1 criteria were also observed for morphological transition from spherulitic growth to oriented growth. An apparatus for small angle light scattering (SALS) and light transmission measurements under shear was built and tested at the University of Massachusetts Amherst. As a new development, the polarization direction can be rotated by a liquid crystal polarization rotator (LCPR) with a short response time of 20 ms. The experiments were controlled and analyzed with a LabVIEW(TM) based code (LabVIEW(TM) 7.1) in real time. The SALS apparatus was custom built for ExxonMobil Research in Clinton NJ.

SG2PS (structural geology to postscript converter) - A graphical solution for brittle structural data evaluation and paleostress calculation

NASA Astrophysics Data System (ADS)

Sasvári, Ágoston; Baharev, Ali

2014-05-01

The aim of this work was to create an open source cross platform application to process brittle structural geological data with seven paleostress inversion algorithms published by different authors and formerly not available within a single desktop application. The tool facilitates separate processing and plotting of different localities, data types and user made groups, using the same single input file. Simplified data input is supported, requiring as small amount of data as possible. Data rotation to correct for bedding tilting, rotation with paleomagnetic declination and k-means clustering are available. RUP and ANG stress estimators calculation and visualization, resolved shear direction display and Mohr circle stress visualization are available. RGB-colored vector graphical outputs are automatically generated in Encapsulated PostScript and Portable Document Format. Stereographical displays on great circle or pole point plot, equal area or equal angle net and upper or lower hemisphere projections are implemented. Rose plots displaying dip direction or strike, with dip angle distribution of the input data set are available. This tool is ideal for preliminary data interpretation on the field (quick processing and visualization in seconds); the implemented methods can be regularly used in the daily academic and industrial work as well. The authors' goal was to create an open source and self-contained desktop application that does not require any additional third party framework (such as .NET) or the Java Virtual Machine. The software has a clear and highly modular structure enabling good code portability, easy maintainability, reusability and extensibility. A Windows installer is publicly available and the program is also fully functional on Linux. The Mac OS X port should be feasible with minimal effort. The install file with test and demo data sets, detailed manual, and links to the GitHub repositories are available on the regularly updated website www.sg2ps.eu.

Mechanical features of the shuttle rotating service structure

NASA Technical Reports Server (NTRS)

Crump, J. M.

1985-01-01

With the development of the space shuttle launching facilities, it became mandatory to develop a shuttle rotating service structure to provide for the insertion and/or removal of payloads at the launch pads. The rotating service structure is a welded tubular steel space frame 189 feet high, 65 feet wide, and weighing 2100 tons. At the pivot column the structure is supported on a 30 inch diameter hemispherical bearing. At the opposite terminus the structure is supported on two truck assemblies each having eight 36 inch diameter double flanged wheels. The following features of the rotating service structure are discussed: (1) thermal expansion and contraction; (2) hurricane tie downs; (3) payload changeout room; (4) payload ground handling mechanism; (5) payload and orbiter access platforms; and (6) orbiter cargo bay access.

Low-loss, high-speed, high-T.sub.c superconducting bearings

DOEpatents

Hull, John R.; Mulcahy, Thomas M.; Uherka, Kenneth L.

1997-01-01

A flywheel energy storage device including an iron structure disposed for rotation adjacent a stationary superconductor material structure and a stationary permanent magnet. The stationary permanent magnet levitates the iron structure while the superconductor structure can stabilize the rotating iron structure.

Vortices in a rotating two-component Bose–Einstein condensate with tunable interactions and harmonic potential

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

Zhang, Xiao-Fei, E-mail: xfzhang@ntsc.ac.cn; Du, Zhi-Jing; Tan, Ren-Bing

We consider a pair of coupled nonlinear Schrödinger equations modeling a rotating two-component Bose–Einstein condensate with tunable interactions and harmonic potential, with emphasis on the structure of vortex states by varying the strength of inter-component interaction, rotational frequency, and the aspect ratio of the harmonic potential. Our results show that the inter-component interaction greatly enhances the effect of rotation. For the case of isotropic harmonic potential and small inter-component interaction, the initial vortex structure remains unchanged. As the ratio of inter- to intra-component interactions increases, each component undergoes a transition from a vortex lattice (vortex line) in an isotropic (anisotropic)more » harmonic potential to an alternatively arranged stripe pattern, and eventually to the interwoven “serpentine” vortex sheets. Moreover, in the case of anisotropic harmonic potential the system can develop to a rotating droplet structure. -- Highlights: •Different vortex structures are obtained within the full parameter space. •Effects of system parameters on the ground state structure are discussed. •Phase transition between different vortex structures is also examined. •Present one possible way to obtain the rotating droplet structure. •Provide many possibilities to manipulate vortex in two-component BEC.« less

Impact and Estimation of Balance Coordinate System Rotations and Translations in Wind-Tunnel Testing

NASA Technical Reports Server (NTRS)

Toro, Kenneth G.; Parker, Peter A.

2017-01-01

Discrepancies between the model and balance coordinate systems lead to biases in the aerodynamic measurements during wind-tunnel testing. The reference coordinate system relative to the calibration coordinate system at which the forces and moments are resolved is crucial to the overall accuracy of force measurements. This paper discusses sources of discrepancies and estimates of coordinate system rotation and translation due to machining and assembly differences. A methodology for numerically estimating the coordinate system biases will be discussed and developed. Two case studies are presented using this methodology to estimate the model alignment. Examples span from angle measurement system shifts on the calibration system to discrepancies in actual wind-tunnel data. The results from these case-studies will help aerodynamic researchers and force balance engineers to better the understand and identify potential differences in calibration systems due to coordinate system rotation and translation.

Single-Shot Rotational Raman Thermometry for Turbulent Flames Using a Low-Resolution Bandwidth Technique

NASA Technical Reports Server (NTRS)

Kojima, Jun; Nguyen, Quang-Viet

2007-01-01

An alternative optical thermometry technique that utilizes the low-resolution (order 10(exp 1)/cm) pure-rotational spontaneous Raman scattering of air is developed to aid single-shot multiscalar measurements in turbulent combustion studies. Temperature measurements are realized by correlating the measured envelope bandwidth of the pure-rotational manifold of the N2/O2 spectrum with a theoretical prediction of a species-weighted bandwidth. By coupling this thermometry technique with conventional vibrational Raman scattering for species determination, we demonstrate quantitative spatially resolved, single-shot measurements of the temperature and fuel/oxidizer concentrations in a high-pressure turbulent Cf4-air flame. Our technique provides not only an effective means of validating other temperature measurement methods, but also serves as a secondary thermometry technique in cases where the anti-Stokes vibrational N2 Raman signals are too low for a conventional vibrational temperature analysis.

Kinematics of the SgrB2(N-LMH) Molecular Core

NASA Technical Reports Server (NTRS)

Hollis, J. M.; Pedelty, J. A.; Boboltz, D. A.; Liu, S.-Y.; Snyder, L. E.; Palmer, Patrick; Lovas, F. J.; Jewell, P. R.

2003-01-01

Ethyl cyanide (CH3CH2CN) emission and absorption have been imaged with the Very Large Array (VLA) toward SgrB2(N-LMH) by means of the 5(sub 15)-4(sub 14) rotational transition at 43.5 GHz (lambda approx. 7 mm). The 1.5" x 1.4" VLA beam shows two principal sources of ethyl cyanide emission: an unresolved source approx. 5" north of the LMH that is kinematically consistent with simple expansion, contraction, or small-scale turbulence, and the resolved LMH core source itself that shows kinematics indicating an edge-on rotating disk that extends 23" (approx. 0.1 pc) in the approximate east-west direction. A search for the 7(sub 07)-6(sub 06) rotational transition of the amino acid glycine (NH2CH2COOH) at 43.7 GHz toward SgrB2(N-LMH) gave negative results.

Milestone Deliverable: FY18-Q1: Deploy production sliding mesh capability with linear solver benchmarking.

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

Domino, Stefan P.

2017-12-01

This milestone was focused on deploying and verifying a “sliding-mesh interface,” and establishing baseline timings for blade-resolved simulations of a sub-MW-scale turbine. In the ExaWind project, we are developing both sliding-mesh and overset-mesh approaches for handling the rotating blades in an operating wind turbine. In the sliding-mesh approach, the turbine rotor and its immediate surrounding fluid are captured in a “disk” that is embedded in the larger fluid domain. The embedded fluid is simulated in a coordinate system that rotates with the rotor. It is important that the coupling algorithm (and its implementation) between the rotating and inertial discrete modelsmore » maintains the accuracy of the numerical methods on either side of the interface, i.e., the interface is “design order.”« less

Persistent spin helix manipulation by optical doping of a CdTe quantum well

NASA Astrophysics Data System (ADS)

Passmann, F.; Anghel, S.; Tischler, T.; Poshakinskiy, A. V.; Tarasenko, S. A.; Karczewski, G.; Wojtowicz, T.; Bristow, A. D.; Betz, M.

2018-05-01

Time-resolved Kerr-rotation microscopy explores the influence of optical doping on the persistent spin helix in a [001]-grown CdTe quantum well at cryogenic temperatures. Electron spin-diffusion dynamics reveal a momentum-dependent effective magnetic field providing SU(2) spin-rotation symmetry, consistent with kinetic theory. The Dresselhaus and Rashba spin-orbit coupling parameters are extracted independently from rotating the spin helix with external magnetic fields applied parallel and perpendicular to the effective magnetic field. Most importantly, a nonuniform spatiotemporal precession pattern is observed. The kinetic-theory framework of spin diffusion allows for modeling of this finding by incorporating the photocarrier density into the Rashba (α) and the Dresselhaus (β3) parameters. Corresponding calculations are further validated by an excitation-density-dependent measurement. This work shows universality of the persistent spin helix by its observation in a II-VI compound and the ability to fine-tune it by optical doping.

Vibration-rotation-tunneling spectroscopy of the van der Waals Bond: A new look at intermolecular forces

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

Cohen, R.C.; Saykally, R.J.

Measurements of the low-frequency van der Waals vibrations in weakly bound complexes by high-resolution laser spectroscopy provide a means to probe intermolecular forces at unprecedented levels of detail and precision. Several new methods are presently being used to record vibration/rotation-tunneling (VRT) transitions associated with the motions of the weak bonds in van der Waals clusters. The most direct measurements are those probing only the van der Waals modes themselves, which occur at far-infrared wavelengths. This article presents a review of the information on both intramolecular forces and intramolecular dynamics that has been obtained from far-infrared VRT spectra of 18 complexesmore » during the past several years. Some rotationally resolved measurements of van der Waals modes observed in combination with electronic or vibrational excitation are also discussed. 185 refs., 15 figs., 1 tab.« less

Low-loss, high-speed, high-{Tc} superconducting bearings

DOEpatents

Hull, J.R.; Mulcahy, T.M.; Uherka, K.L.

1997-06-24

A flywheel energy storage device is disclosed including an iron structure disposed for rotation adjacent a stationary superconductor material structure and a stationary permanent magnet. The stationary permanent magnet levitates the iron structure while the superconductor structure can stabilize the rotating iron structure. 15 figs.

Low-loss, high-speed, high-T.sub.C superconducting bearings

DOEpatents

Hull, John R.; Mulcahy, Thomas M.; Uherka, Kenneth L.

1996-01-01

A flywheel energy storage device including an iron structure disposed for rotation adjacent a stationary superconductor material structure and a stationary permanent magnet. The stationary permanent magnet levitates the iron structure while the superconductor structure can stabilize and levitate the rotating iron structure.

Application of spectroscopy and super-resolution microscopy: Excited state

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

Bhattacharjee, Ujjal

Photophysics of inorganic materials and organic molecules in complex systems have been extensively studied with absorption and emission spectroscopy.1-4 Steady-state and time-resolved fluorescence studies are commonly carried out to characterize excited-state properties of fluorophores. Although steady-state fluorescence measurements are widely used for analytical applications, time-resolved fluorescence measurements provide more detailed information about excited-state properties and the environment in the vicinity of the fluorophore. Many photophysical processes, such as photoinduced electron transfer (PET), rotational reorientation, solvent relaxation, and energy transfer, occur on a nanosecond (10 -9 s) timescale, thus affecting the lifetime of the fluorophores. Moreover, time-resolved microscopy methods, such asmore » lifetimeimaging, combine the benefits of the microscopic measurement and information-rich, timeresolved data. Thus, time-resolved fluorescence spectroscopy combined with microscopy can be used to quantify these processes and to obtain a deeper understanding of the chemical surroundings of the fluorophore in a small area under investigation. This thesis discusses various photophysical and super-resolution microscopic studies of organic and inorganic materials, which have been outlined below.« less

High-resolution sub-Doppler infrared spectroscopy of atmospherically relevant Criegee precursor CH2I radicals: CH2 stretch vibrations and "charge-sloshing" dynamics

NASA Astrophysics Data System (ADS)

Kortyna, A.; Lesko, D. M. B.; Nesbitt, D. J.

2018-05-01

The combination of a pulsed supersonic slit-discharge source and single-mode difference frequency direct absorption infrared spectroscopy permit first high resolution infrared study of the iodomethyl (CH2I) radical, with the CH2I radical species generated in a slit jet Ne/He discharge and cooled to 16 K in the supersonic expansion. Dual laser beam detection and collisional collimation in the slit expansion yield sub-Doppler linewidths (60 MHz), an absolute frequency calibration of 13 MHz, and absorbance sensitivities within a factor of two of the shot-noise limit. Fully rovibrationally resolved direct absorption spectra of the CH2 symmetric stretch mode (ν2) are obtained and fitted to a Watson asymmetric top Hamiltonian with electron spin-rotation coupling, providing precision rotational constants and spin-rotation tensor elements for the vibrationally excited state. Analysis of the asymmetric top rotational constants confirms a vibrationally averaged planar geometry in both the ground- and first-excited vibrational levels. Sub-Doppler resolution permits additional nuclear spin hyperfine structures to be observed, with splittings in excellent agreement with microwave measurements on the ground state. Spectroscopic data on CH2I facilitate systematic comparison with previous studies of halogen-substituted methyl radicals, with the periodic trends strongly correlated with the electronegativity of the halogen atom. Interestingly, we do not observe any asymmetric CH2 stretch transitions, despite S/N ≈ 25:1 on strongest lines in the corresponding symmetric CH2 stretch manifold. This dramatic reversal of the more typical 3:1 antisymmetric/symmetric CH2 stretch intensity ratio signals a vibrational transition moment poorly described by simple "bond-dipole" models. Instead, the data suggest that this anomalous intensity ratio arises from "charge sloshing" dynamics in the highly polar carbon-iodine bond, as supported by ab initio electron differential density plots and indeed consistent with observations in other halomethyl radicals and protonated cluster ions.