Effects of Ultrafast Molecular Rotation on Collisional Decoherence

Science.gov (United States)

Milner, Alexander A.; Korobenko, Aleksey; Hepburn, John W.; Milner, Valery

2014-07-01

Using an optical centrifuge to control molecular rotation in an extremely broad range of angular momenta, we study coherent rotational dynamics of nitrogen molecules in the presence of collisions. We cover the range of rotational quantum numbers between J=8 and J =66 at room temperature and study a crossover between the adiabatic and nonadiabatic regimes of rotational relaxation, which cannot be easily accessed by thermal means. We demonstrate that the rate of rotational decoherence changes by more than an order of magnitude in this range of J values and show that its dependence on J can be described by a simplified scaling law.

On the stability and maximum mass of differentially rotating relativistic stars

Science.gov (United States)

Weih, Lukas R.; Most, Elias R.; Rezzolla, Luciano

2018-01-01

The stability properties of rotating relativistic stars against prompt gravitational collapse to a black hole are rather well understood for uniformly rotating models. This is not the case for differentially rotating neutron stars, which are expected to be produced in catastrophic events such as the merger of binary system of neutron stars or the collapse of a massive stellar core. We consider sequences of differentially rotating equilibrium models using the j-constant law and by combining them with their dynamical evolution, we show that a sufficient stability criterion for differentially rotating neutron stars exists similar to the one of their uniformly rotating counterparts. Namely: along a sequence of constant angular momentum, a dynamical instability sets in for central rest-mass densities slightly below the one of the equilibrium solution at the turning point. In addition, following Breu & Rezzolla, we show that 'quasi-universal' relations can be found when calculating the turning-point mass. In turn, this allows us to compute the maximum mass allowed by differential rotation, Mmax,dr, in terms of the maximum mass of the non-rotating configuration, M_{_TOV}, finding that M_{max, dr} ˜eq (1.54 ± 0.05) M_{_TOV} for all the equations of state we have considered.

Molecular equilibrium structures from experimental rotational constants and calculated vibration-rotation interaction constants

DEFF Research Database (Denmark)

Pawlowski, F; Jorgensen, P; Olsen, Jeppe

2002-01-01

A detailed study is carried out of the accuracy of molecular equilibrium geometries obtained from least-squares fits involving experimental rotational constants B(0) and sums of ab initio vibration-rotation interaction constants alpha(r)(B). The vibration-rotation interaction constants have been...... calculated for 18 single-configuration dominated molecules containing hydrogen and first-row atoms at various standard levels of ab initio theory. Comparisons with the experimental data and tests for the internal consistency of the calculations show that the equilibrium structures generated using Hartree......-Fock vibration-rotation interaction constants have an accuracy similar to that obtained by a direct minimization of the CCSD(T) energy. The most accurate vibration-rotation interaction constants are those calculated at the CCSD(T)/cc-pVQZ level. The equilibrium bond distances determined from these interaction...

Theoretical study of the relativistic molecular rotational g-tensor

International Nuclear Information System (INIS)

Aucar, I. Agustín; Gomez, Sergio S.; Giribet, Claudia G.; Ruiz de Azúa, Martín C.

2014-01-01

An original formulation of the relativistic molecular rotational g-tensor valid for heavy atom containing compounds is presented. In such formulation, the relevant terms of a molecular Hamiltonian for non-relativistic nuclei and relativistic electrons in the laboratory system are considered. Terms linear and bilinear in the nuclear rotation angular momentum and an external uniform magnetic field are considered within first and second order (relativistic) perturbation theory to obtain the rotational g-tensor. Relativistic effects are further analyzed by carrying out the linear response within the elimination of the small component expansion. Quantitative results for model systems HX (X=F, Cl, Br, I), XF (X=Cl, Br, I), and YH + (Y=Ne, Ar, Kr, Xe, Rn) are obtained both at the RPA and density functional theory levels of approximation. Relativistic effects are shown to be small for this molecular property. The relation between the rotational g-tensor and susceptibility tensor which is valid in the non-relativistic theory does not hold within the relativistic framework, and differences between both molecular parameters are analyzed for the model systems under study. It is found that the non-relativistic relation remains valid within 2% even for the heavy HI, IF, and XeH + systems. Only for the sixth-row Rn atom a significant deviation of this relation is found

Theoretical study of the relativistic molecular rotational g-tensor

Energy Technology Data Exchange (ETDEWEB)

Aucar, I. Agustín, E-mail: agustin.aucar@conicet.gov.ar; Gomez, Sergio S., E-mail: ssgomez@exa.unne.edu.ar [Institute for Modeling and Technological Innovation, IMIT (CONICET-UNNE) and Faculty of Exact and Natural Sciences, Northeastern University of Argentina, Avenida Libertad 5400, W3404AAS Corrientes (Argentina); Giribet, Claudia G.; Ruiz de Azúa, Martín C. [Physics Department, Faculty of Exact and Natural Sciences, University of Buenos Aires and IFIBA CONICET, Ciudad Universitaria, Pab. I, 1428 Buenos Aires (Argentina)

2014-11-21

An original formulation of the relativistic molecular rotational g-tensor valid for heavy atom containing compounds is presented. In such formulation, the relevant terms of a molecular Hamiltonian for non-relativistic nuclei and relativistic electrons in the laboratory system are considered. Terms linear and bilinear in the nuclear rotation angular momentum and an external uniform magnetic field are considered within first and second order (relativistic) perturbation theory to obtain the rotational g-tensor. Relativistic effects are further analyzed by carrying out the linear response within the elimination of the small component expansion. Quantitative results for model systems HX (X=F, Cl, Br, I), XF (X=Cl, Br, I), and YH{sup +} (Y=Ne, Ar, Kr, Xe, Rn) are obtained both at the RPA and density functional theory levels of approximation. Relativistic effects are shown to be small for this molecular property. The relation between the rotational g-tensor and susceptibility tensor which is valid in the non-relativistic theory does not hold within the relativistic framework, and differences between both molecular parameters are analyzed for the model systems under study. It is found that the non-relativistic relation remains valid within 2% even for the heavy HI, IF, and XeH{sup +} systems. Only for the sixth-row Rn atom a significant deviation of this relation is found.

Rotational temperature determinations in molecular gas lasers

International Nuclear Information System (INIS)

Weaver, L.A.; Taylor, L.H.; Denes, L.J.

1975-01-01

The small-signal gain expressions for vibrational-rotational transitions are examined in detail to determine possible methods of extracting the rotational temperature from experimental gain measurements in molecular gas lasers. Approximate values of T/subr/ can be deduced from the rotational quantum numbers for which the P- and R-branch gains are maximum. Quite accurate values of T/subr/ and the population inversion density (n/subv//sub prime/-n/subv//sub double-prime/) can be determined by fitting data to suitably linearized gain relationships, or by performing least-squares fits of the P- and R-branch experimental data to the full gain expressions. Experimental gain measurements for 15 P-branch and 12 R-branch transitions in the 10.4-μm CO 2 band have been performed for pulsed uv-preionized laser discharges in CO 2 : N 2 : He=1 : 2 : 3 mixtures at 600 Torr. These data are subjected to the several gain analyses described herein, yielding a rotational temperature of 401plus-or-minus10 degreeK and an inversion density of (3.77plus-or-minus0.07) times10 17 cm -3 for conditions of maximum gain. These techniques provide accurate values of the gas temperature in molecular gas lasers with excellent temporal and spatial resolution, and should be useful in extending the conversion efficiency and arcing limits of high-energy electrically exc []ted lasers

Resonant-enhanced spectroscopy of molecular rotations with a scanning tunneling microscope.

Science.gov (United States)

Natterer, Fabian Donat; Patthey, François; Brune, Harald

2014-07-22

We use rotational excitation spectroscopy with a scanning tunneling microscope to investigate the rotational properties of molecular hydrogen and its isotopes physisorbed on the surfaces of graphene and hexagonal boron nitride (h-BN), grown on Ni(111), Ru(0001), and Rh(111). The rotational excitation energies are in good agreement with ΔJ = 2 transitions of freely spinning p-H2 and o-D2 molecules. The variations of the spectral line shapes for H2 among the different surfaces can be traced back to a molecular resonance-mediated tunneling mechanism. Our data for H2/h-BN/Rh(111) suggest a local intrinsic gating on this surface due to lateral static dipoles. Spectra on a mixed monolayer of H2, HD, and D2 display all three J = 0 → 2 rotational transitions, irrespective of tip position, thus pointing to a multimolecule excitation, or molecular mobility in the physisorbed close-packed layer.

Rotational distributions of molecular photoions following resonant excitation

International Nuclear Information System (INIS)

Poliakoff, E.D.; Chan, J.C.K.; White, M.G.

1986-01-01

We demonstrate that the photoelectron energy mediates the rotational energy distribution of N + 2 ions created by photoionization, and conversely, that rotational energy determinations probe resonant excitation in molecular photoionization. Experimentally, this is accomplished by monitoring the dispersed fluorescence from N + 2 (B 2 Σ + /sub u/) photoions to determine their rotational energy distribution. These results demonstrate that while dipole selection rules constrain the total angular momentum of the electron--ion complex, the partitioning of angular momentum between the photoelectron and photoion depends on the photoejection dynamics. Implications for photoionization and electron impact ionizatin studies are discussed

How good a clock is rotation? The stellar rotation-mass-age relationship for old field stars

International Nuclear Information System (INIS)

Epstein, Courtney R.; Pinsonneault, Marc H.

2014-01-01

The rotation-mass-age relationship offers a promising avenue for measuring the ages of field stars, assuming the attendant uncertainties to this technique can be well characterized. We model stellar angular momentum evolution starting with a rotation distribution from open cluster M37. Our predicted rotation-mass-age relationship shows significant zero-point offsets compared to an alternative angular momentum loss law and published gyrochronology relations. Systematic errors at the 30% level are permitted by current data, highlighting the need for empirical guidance. We identify two fundamental sources of uncertainty that limit the precision of rotation-based ages and quantify their impact. Stars are born with a range of rotation rates, which leads to an age range at fixed rotation period. We find that the inherent ambiguity from the initial conditions is important for all young stars, and remains large for old stars below 0.6 M ☉ . Latitudinal surface differential rotation also introduces a minimum uncertainty into rotation period measurements and, by extension, rotation-based ages. Both models and the data from binary star systems 61 Cyg and α Cen demonstrate that latitudinal differential rotation is the limiting factor for rotation-based age precision among old field stars, inducing uncertainties at the ∼2 Gyr level. We also examine the relationship between variability amplitude, rotation period, and age. Existing ground-based surveys can detect field populations with ages as old as 1-2 Gyr, while space missions can detect stars as old as the Galactic disk. In comparison with other techniques for measuring the ages of lower main sequence stars, including geometric parallax and asteroseismology, rotation-based ages have the potential to be the most precise chronometer for 0.6-1.0 M ☉ stars.

Grids of rotating stellar models with masses between 1.0 and 3.0 M⊙

International Nuclear Information System (INIS)

Yang Wu-Ming; Bi Shao-Lan; Meng Xiang-Cun

2013-01-01

We calculated a grid of evolutionary tracks of rotating models with masses between 1.0 and 3.0 M ⊙ and resolution δM ≤ 0.02 M ⊙ , which can be used to study the effects of rotation on stellar evolution and on the characteristics of star clusters. The value of ∼ 2.05 M ⊙ is a critical mass for the effects of rotation on stellar structure and evolution. For stars with M > 2.05 M ⊙ , rotation leads to an increase in the convective core and prolongs their lifetime on the main sequence (MS); rotating models evolve more slowly than non-rotating ones; the effects of rotation on the evolution of these stars are similar to those of convective core overshooting. However for stars with 1.1 < M/M ⊙ < 2.05, rotation results in a decrease in the convective core and shortens the duration of the MS stage; rotating models evolve faster than non-rotating ones. When the mass has values in the range ∼ 1.7–2.0 M ⊙ , the mixing caused by rotationally induced instabilities is not efficient; the hydrostatic effects dominate processes associated with the evolution of these stars. For models with masses between about 1.6 and 2.0 M ⊙ , rotating models always exhibit lower effective temperatures than non-rotating ones at the same age during the MS stage. For a given age, the lower the mass, the smaller the change in the effective temperature. Thus rotations could lead to a color spread near the MS turnoff in the color-magnitude diagram for intermediate-age star clusters

Rotational spectrum of the molecular ion NH+ as a probe for α and me/mp variation

International Nuclear Information System (INIS)

Beloy, K.; Borschevsky, A.; Hauser, A. W.; Schwerdtfeger, P.; Kozlov, M. G.; Flambaum, V. V.

2011-01-01

We identify the molecular ion NH + as a potential candidate for probing variations in the fine-structure constant α and electron-to-proton mass ratio μ. NH + has an anomalously low-lying excited 4 Σ - state, being only a few hundred cm -1 above the ground 2 Π state. Being a light molecule, this proximity is such that rotational levels of the respective states are highly intermixed for low angular momenta. We find that several low-frequency transitions within the collective rotational spectrum experience enhanced sensitivity to α and μ variation. This is attributable to the close proximity of the 2 Π and 4 Σ - states, as well as the ensuing strong spin-orbit coupling between them. Suggestions that NH + may exist in interstellar space and recent predictions that trapped-ion precision spectroscopy will be adaptable to molecular ions make NH + a promising system for future astrophysical and laboratory studies of α and μ variation.

Simultaneous analysis of rotational and vibrational-rotational spectra of DF and HF to obtain irreducible molecular constants for HF

International Nuclear Information System (INIS)

Horiai, Koui; Uehara, Hiromichi

2011-01-01

Graphical abstract: Available rotational and vibrational-rotational spectral lines of DF and HF are analyzed simultaneously using a non-Born-Oppenheimer effective Hamiltonian. Research highlights: → Simultaneous analysis of DF and HF spectral data. → Application of a non-Born-Oppenheimer effective Hamiltonian. → Twenty irreducible molecular constants for HF have been determined. - Abstract: Analytic expressions of corrections for the breakdown of the Born-Oppenheimer approximation to Dunham's Y ij with optimal parameters, i.e., determinable clusters of expansion coefficients, are applied to a data analysis of the rotational and vibrational-rotational transitions of HF reported in the literature. All the available spectral lines of the two isotopologues, DF and HF, are simultaneously fitted to a single set of molecular parameters of HF within experimental errors. Fitting of a data set of 595 spectral transitions for DF and HF has generated only 20 minimal independent parameter values, i.e., 'irreducible' molecular constants of HF, that are sufficient to precisely generate 82 Y ij coefficients and 144 band constants in total: 41 Y ij and 72 band constants each for DF and HF.

A brief review of intruder rotational bands and magnetic rotation in the A = 110 mass region

Science.gov (United States)

Banerjee, P.

2018-05-01

Nuclei in the A ∼ 110 mass region exhibit interesting structural features. One of these relates to the process by which specific configurations, built on the excitation of one or more protons across the Z = 50 shell-gap, manifest as collective rotational bands at intermediate spins and gradually lose their collectivity with increase in spin and terminate in a non-collective state at the maximum spin which the configuration can support. These bands are called terminating bands that co-exist with spherical states. Some of these bands are said to terminate smoothly underlining the continuous character of the process by which the band evolves from significant collectivity at low spin to a pure particle-hole non-collective state at the highest spin. The neutron-deficient A ∼ 110 mass region provides the best examples of smoothly terminating bands. The present experimental and theoretical status of such bands in several nuclei with 48 ≤ Z ≤ 52 spanning the 106 ≤ A ≤ 119 mass region have been reviewed in this article. The other noteworthy feature of nuclei in the A ∼ 110 mass region is the observation of regular rotation-like sequences of strongly enhanced magnetic dipole transitions in near-spherical nuclei. These bands, unlike the well-studied rotational sequences in deformed nuclei, arise from a spontaneous symmetry breaking by the anisotropic currents of a few high-j excited particles and holes. This mode of excitation is called magnetic rotation and was first reported in the Pb region. Evidence in favor of the existence of such structures, also called shears bands, are reported in the literature for a large number of Cd, In, Sn and Sb isotope with A ∼ 110. The present article provides a general overview of these reported structures across this mass region. The review also discusses antimagnetic rotation bands and a few cases of octupole correlations in the A = 110 mass region.

Mass of 17O from Penning-trap mass spectrometry and molecular spectroscopy: A precision test of the Dunham-Watson model in carbon monoxide

International Nuclear Information System (INIS)

Mount, Brianna J.; Redshaw, Matthew; Myers, Edmund G.; Mueller, Holger S. P.

2010-01-01

By fitting the Dunham-Watson model to extensive rotational and vibrational spectroscopic data of isotopic variants of CO, and by using existing precise masses of 13 C, 16 O, and 18 O from Penning-trap mass spectrometry, we determine the atomic mass of 17 O to be M[ 17 O]=16.999 131 644(30) u, where the uncertainty is purely statistical. Using Penning-trap mass spectrometry, we have also directly determined the atomic mass of 17 O with the more precise result M[ 17 O]=16.999 131 756 6(9) u. The Dunham-Watson model applied to the molecular spectroscopic data hence predicts the mass of 17 O to better than 1 part in 10 8 .

Exciting a rotating mass on a spring without change to its rotation rate

International Nuclear Information System (INIS)

Kenyon, Kern E.

2001-01-01

An exact mathematical solution, in terms of elementary functions, is presented for the two-dimensional problem of a mass rotating on a linear spring. The two governing equations in polar coordinates are nonlinear, coupled ordinary differential equations, but they can be solved analytically in sequence. In general, the orbit of the mass is an ellipse with the fixed end of the spring located at the centre of the ellipse. The orbital frequency is identical to the natural frequency of the spring and it is independent of the amplitude of the motion (independent of the major and minor axes of the ellipse). Based on the solution the following claim is made. No matter how the mass is perturbed, within its plane of motion, the orbital frequency will remain constant. The disturbance can be infinitesimal or finite and it can cause either the total energy or the angular momentum of the system or both to increase or decrease but the orbital period will not change. It follows from the fixed end of the spring being at the ellipse's centre that the radial vibration of the mass has twice the natural frequency of the spring; i.e. two maxima and minima in one orbital period, which is not possible unless there is rotation. (author)

On the effects of rotation on interstellar molecular line profiles

International Nuclear Information System (INIS)

Adelson, L.M.; Chunming Leung

1988-01-01

Theoretical models are constructed to study the effects of systematic gas rotation on the emergent profiles of interstellar molecular lines, in particular the effects of optical depth and different velocity laws. Both rotational and radial motions (expansion or contraction) may produce similar asymmetric profiles, but the behaviour of the velocity centroid of the emergent profile over the whole cloud (iso-centroid maps) can be used to distinguish between these motions. Iso-centroid maps can also be used to determine the location and orientation of the rotation axis and of the equatorial axis. For clouds undergoing both radial and rotational motion, the component of the centroid due to the rotational motion can be separated from that due to the radial motion. Information on the form of the rotational velocity law can also be derived. (author)

Exoplanet dynamics. Asynchronous rotation of Earth-mass planets in the habitable zone of lower-mass stars.

Science.gov (United States)

Leconte, Jérémy; Wu, Hanbo; Menou, Kristen; Murray, Norman

2015-02-06

Planets in the habitable zone of lower-mass stars are often assumed to be in a state of tidally synchronized rotation, which would considerably affect their putative habitability. Although thermal tides cause Venus to rotate retrogradely, simple scaling arguments tend to attribute this peculiarity to the massive Venusian atmosphere. Using a global climate model, we show that even a relatively thin atmosphere can drive terrestrial planets' rotation away from synchronicity. We derive a more realistic atmospheric tide model that predicts four asynchronous equilibrium spin states, two being stable, when the amplitude of the thermal tide exceeds a threshold that is met for habitable Earth-like planets with a 1-bar atmosphere around stars more massive than ~0.5 to 0.7 solar mass. Thus, many recently discovered terrestrial planets could exhibit asynchronous spin-orbit rotation, even with a thin atmosphere. Copyright © 2015, American Association for the Advancement of Science.

The rotational temperature of polar molecular ions in Coulomb crystals

International Nuclear Information System (INIS)

Bertelsen, Anders; Joergensen, Solvejg; Drewsen, Michael

2006-01-01

With MgH + ions as a test case, we investigate to what extent the rotational motion of smaller polar molecular ions sympathetically cooled into Coulomb crystals in linear Paul traps couples to the translational motions of the ion ensemble. By comparing the results obtained from rotational resonance-enhanced multiphoton photo-dissociation experiments with data from theoretical simulations, we conclude that the effective rotational temperature exceeds the translational temperature (<100 mK) by more than two orders of magnitude, indicating a very weak coupling. (letter to the editor)

Molecular vibration-rotation spectra starting from the Fues potential

International Nuclear Information System (INIS)

Ley Koo, E.

1976-01-01

The solution of Schroedinger's equation for the Fues potential is analyzed and compared with the corresponding problems for the Coulomb, harmonic oscillator and molecular potentials. These comparisons allow us to emphasize certain pedagogical, conceptual and computational advantages of the Fues potential which make it a favorable alternative as the starting point in the analysis of molecular vibration-rotation and in the determination of potential energy curves. (author)

Modelling of convective heat and mass transfer in rotating flows

CERN Document Server

Shevchuk, Igor V

2016-01-01

 This monograph presents results of the analytical and numerical modeling of convective heat and mass transfer in different rotating flows caused by (i) system rotation, (ii) swirl flows due to swirl generators, and (iii) surface curvature in turns and bends. Volume forces (i.e. centrifugal and Coriolis forces), which influence the flow pattern, emerge in all of these rotating flows. The main part of this work deals with rotating flows caused by system rotation, which includes several rotating-disk configurations and straight pipes rotating about a parallel axis. Swirl flows are studied in some of the configurations mentioned above. Curvilinear flows are investigated in different geometries of two-pass ribbed and smooth channels with 180° bends. The author demonstrates that the complex phenomena of fluid flow and convective heat transfer in rotating flows can be successfully simulated using not only the universal CFD methodology, but in certain cases by means of the integral methods, self-similar and analyt...

Large Molecule Structures by Broadband Fourier Transform Molecular Rotational Spectroscopy

Science.gov (United States)

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

2016-06-01

Fourier transform molecular rotational resonance spectroscopy (FT-MRR) using pulsed jet molecular beam sources is a high-resolution spectroscopy technique that can be used for chiral analysis of molecules with multiple chiral centers. The sensitivity of the molecular rotational spectrum pattern to small changes in the three dimensional structure makes it possible to identify diastereomers without prior chemical separation. For larger molecules, there is the additional challenge that different conformations of each diastereomer may be present and these need to be differentiated from the diastereomers in the spectral analysis. Broadband rotational spectra of several larger molecules have been measured using a chirped-pulse FT-MRR spectrometer. Measurements of nootkatone (C15H22O), cedrol (C15H26O), ambroxide (C16H28O) and sclareolide (C16H26O2) are presented. These spectra are measured with high sensitivity (signal-to-noise ratio near 1,000:1) and permit structure determination of the most populated isomers using isotopic analysis of the 13C and 18O isotopologues in natural abundance. The accuracy of quantum chemistry calculations to identify diastereomers and conformers and to predict the dipole moment properties needed for three wave mixing measurements is examined.

Calculations of optical rotation: Influence of molecular structure

Directory of Open Access Journals (Sweden)

Yu Jia

2012-01-01

Full Text Available Ab initio Hartree-Fock (HF method and Density Functional Theory (DFT were used to calculate the optical rotation of 26 chiral compounds. The effects of theory and basis sets used for calculation, solvents influence on the geometry and values of calculated optical rotation were all discussed. The polarizable continuum model, included in the calculation, did not improve the accuracy effectively, but it was superior to γs. Optical rotation of five or sixmembered of cyclic compound has been calculated and 17 pyrrolidine or piperidine derivatives which were calculated by HF and DFT methods gave acceptable predictions. The nitrogen atom affects the calculation results dramatically, and it is necessary in the molecular structure in order to get an accurate computation result. Namely, when the nitrogen atom was substituted by oxygen atom in the ring, the calculation result deteriorated.

Convective heat and mass transfer in rotating disk systems

CERN Document Server

Shevchuk, Igor V

2009-01-01

The book describes results of investigations of a series of convective heat and mass transfer problems in rotating-disk systems. Methodology used included integral methods, self-similar and approximate analytical solutions, as well as CFD.

Localized transversal-rotational modes in linear chains of equal masses.

Science.gov (United States)

Pichard, H; Duclos, A; Groby, J-P; Tournat, V; Gusev, V E

2014-01-01

The propagation and localization of transversal-rotational waves in a two-dimensional granular chain of equal masses are analyzed in this study. The masses are infinitely long cylinders possessing one translational and one rotational degree of freedom. Two dispersive propagating modes are predicted in this granular crystal. By considering the semi-infinite chain with a boundary condition applied at its beginning, the analytical study demonstrates the existence of localized modes, each mode composed of two evanescent modes. Their existence, position (either in the gap between the propagating modes or in the gap above the upper propagating mode), and structure of spatial localization are analyzed as a function of the relative strength of the shear and bending interparticle interactions and for different boundary conditions. This demonstrates the existence of a localized mode in a semi-infinite monatomic chain when transversal-rotational waves are considered, while it is well known that these types of modes do not exist when longitudinal waves are considered.

EVIDENCE FOR CLUSTER TO CLUSTER VARIATIONS IN LOW-MASS STELLAR ROTATIONAL EVOLUTION

International Nuclear Information System (INIS)

Coker, Carl T.; Pinsonneault, Marc; Terndrup, Donald M.

2016-01-01

The concordance model for angular momentum evolution postulates that star-forming regions and clusters are an evolutionary sequence that can be modeled with assumptions about protostar–disk coupling, angular momentum loss from magnetized winds that saturates in a mass-dependent fashion at high rotation rates, and core-envelope decoupling for solar analogs. We test this approach by combining established data with the large h Per data set from the MONITOR project and new low-mass Pleiades data. We confirm prior results that young low-mass stars can be used to test star–disk coupling and angular momentum loss independent of the treatment of internal angular momentum transport. For slow rotators, we confirm the need for star–disk interactions to evolve the ONC to older systems, using h Per (age 13 Myr) as our natural post-disk case. There is no evidence for extremely long-lived disks as an alternative to core-envelope decoupling. However, our wind models cannot evolve rapid rotators from h Per to older systems consistently, and we find that this result is robust with respect to the choice of angular momentum loss prescription. We outline two possible solutions: either there is cosmic variance in the distribution of stellar rotation rates in different clusters or there are substantially enhanced torques in low-mass rapid rotators. We favor the former explanation and discuss observational tests that could be used to distinguish them. If the distribution of initial conditions depends on environment, models that test parameters by assuming a universal underlying distribution of initial conditions will need to be re-evaluated.

EVIDENCE FOR CLUSTER TO CLUSTER VARIATIONS IN LOW-MASS STELLAR ROTATIONAL EVOLUTION

Energy Technology Data Exchange (ETDEWEB)

Coker, Carl T.; Pinsonneault, Marc; Terndrup, Donald M., E-mail: coker@astronomy.ohio-state.edu, E-mail: pinsono@astronomy.ohio-state.edu, E-mail: terndrup@astronomy.ohio-state.edu [Department of Astronomy, The Ohio State University, Columbus, OH 43210 (United States)

2016-12-10

The concordance model for angular momentum evolution postulates that star-forming regions and clusters are an evolutionary sequence that can be modeled with assumptions about protostar–disk coupling, angular momentum loss from magnetized winds that saturates in a mass-dependent fashion at high rotation rates, and core-envelope decoupling for solar analogs. We test this approach by combining established data with the large h Per data set from the MONITOR project and new low-mass Pleiades data. We confirm prior results that young low-mass stars can be used to test star–disk coupling and angular momentum loss independent of the treatment of internal angular momentum transport. For slow rotators, we confirm the need for star–disk interactions to evolve the ONC to older systems, using h Per (age 13 Myr) as our natural post-disk case. There is no evidence for extremely long-lived disks as an alternative to core-envelope decoupling. However, our wind models cannot evolve rapid rotators from h Per to older systems consistently, and we find that this result is robust with respect to the choice of angular momentum loss prescription. We outline two possible solutions: either there is cosmic variance in the distribution of stellar rotation rates in different clusters or there are substantially enhanced torques in low-mass rapid rotators. We favor the former explanation and discuss observational tests that could be used to distinguish them. If the distribution of initial conditions depends on environment, models that test parameters by assuming a universal underlying distribution of initial conditions will need to be re-evaluated.

The link between the baryonic mass distribution and the rotation curve shape

Science.gov (United States)

Swaters, R. A.; Sancisi, R.; van der Hulst, J. M.; van Albada, T. S.

2012-09-01

The observed rotation curves of disc galaxies, ranging from late-type dwarf galaxies to early-type spirals, can be fitted remarkably well simply by scaling up the contributions of the stellar and H I discs. This 'baryonic scaling model' can explain the full breadth of observed rotation curves with only two free parameters. For a small fraction of galaxies, in particular early-type spiral galaxies, H I scaling appears to fail in the outer parts, possibly due to observational effects or ionization of H I. The overall success of the baryonic scaling model suggests that the well-known global coupling between the baryonic mass of a galaxy and its rotation velocity (known as the baryonic Tully-Fisher relation) applies at a more local level as well, and it seems to imply a link between the baryonic mass distribution and the distribution of total mass (including dark matter).

WISDOM project - I. Black hole mass measurement using molecular gas kinematics in NGC 3665

Science.gov (United States)

Onishi, Kyoko; Iguchi, Satoru; Davis, Timothy A.; Bureau, Martin; Cappellari, Michele; Sarzi, Marc; Blitz, Leo

2017-07-01

As a part of the mm-Wave Interferometric Survey of Dark Object Masses (WISDOM) project, we present an estimate of the mass of the supermassive black hole (SMBH) in the nearby fast-rotator early-type galaxy NGC 3665. We obtained the Combined Array for Research in Millimeter Astronomy (CARMA) B and C array observations of the 12CO(J = 2 - 1) emission line with a combined angular resolution of 0.59 arcsec. We analysed and modelled the three-dimensional molecular gas kinematics, obtaining a best-fitting SMBH mass M_BH=5.75^{+1.49}_{-1.18} × 108 M⊙, a mass-to-light ratio at H-band (M/L)H = 1.45 ± 0.04 (M/L)⊙,H and other parameters describing the geometry of the molecular gas disc (statistical errors, all at 3σ confidence). We estimate the systematic uncertainties on the stellar M/L to be ≈0.2 (M/L)⊙,H, and on the SMBH mass to be ≈0.4 × 108 M⊙. The measured SMBH mass is consistent with that estimated from the latest correlations with galaxy properties. Following our older works, we also analysed and modelled the kinematics using only the major-axis position-velocity diagram, and conclude that the two methods are consistent.

On selection rules in vibrational and rotational molecular spectroscopy

International Nuclear Information System (INIS)

Guichardet, A.

1986-01-01

The aim of this work is a rigorous proof of the Selection Rules in Molecular Spectroscopy (Vibration and Rotation). To get this we give mathematically rigorous definitions of the (tensor) transition operators, in this case the electric dipole moment; this is done, firstly by considering the molecule as a set of point atomic kernels performing arbitrary motions, secondly by limiting ourselves either to infinitesimal vibration motions, or to arbitrary rotation motions. Then the selection rules follow from an abstract formulation of the Wigner-Eckart theorem. In a last paragraph we discuss the problem of separating vibration and rotation motions; very simple ideas from Differential Geometry, linked with the ''slice theorem'', allow us to define the relative speeds, the solid motions speeds, the Coriolis energies and the moving Eckart frames [fr

Initial vibrational and rotational yields from subexcitation electrons in molecular hydrogen

International Nuclear Information System (INIS)

Douthat, D.A.

1987-01-01

As the energy of a single source electron injected into a molecular gas is degraded through collisions, initial products include secondary electrons, ions, and excited molecules. Electrons with kinetic energies less than the minimum required for excitation of the lowest electronic state are given the designation subexcitation electrons. These electrons are still capable of exciting vibrational and rotational states of molecular gases. In this calculation, the initial numbers of vibrational and rotational excitations (yields) produced as the subexcitation electrons undergo further energy degradation are determined for molecular hydrogen. The calculation requires a complete set of cross section data for numerical solution of the Boltzmann equation. The initial energy distribution of electrons is taken to be the subexcitation distribution which was determined previously. The initial yields are tabulated for gas temperatures from 50 K to 1500 K for a source electron with initial energy 10 keV. 26 references

Rotational laser cooling of vibrationally and translationally cold molecular ions

DEFF Research Database (Denmark)

Staanum, Peter; Højbjerre, Klaus; Skyt, Peter Sandegaard

2010-01-01

Stationary molecules in well-defined internal states are of broad interest for physics and chemistry. In physics, this includes metrology 1, 2, 3 , quantum computing 4, 5 and many-body quantum mechanics 6, 7 , whereas in chemistry, state-prepared molecular targets are of interest for uni......-molecular reactions with coherent light fields 8, 9 , for quantum-state-selected bi-molecular reactions 10, 11, 12 and for astrochemistry 12 . Here, we demonstrate rotational ground-state cooling of vibrationally and translationally cold MgH+ ions, using a laser-cooling scheme based on excitation of a single...

Rotational diffusion of a molecular cat

Science.gov (United States)

Katz-Saporta, Ori; Efrati, Efi

We show that a simple isolated system can perform rotational random walk on account of internal excitations alone. We consider the classical dynamics of a ''molecular cat'': a triatomic molecule connected by three harmonic springs with non-zero rest lengths, suspended in free space. In this system, much like for falling cats, the angular momentum constraint is non-holonomic allowing for rotations with zero overall angular momentum. The geometric nonlinearities arising from the non-zero rest lengths of the springs suffice to break integrability and lead to chaotic dynamics. The coupling of the non-integrability of the system and its non-holonomic nature results in an angular random walk of the molecule. We study the properties and dynamics of this angular motion analytically and numerically. For low energy excitations the system displays normal-mode-like motion, while for high enough excitation energy we observe regular random-walk. In between, at intermediate energies we observe an angular Lévy-walk type motion associated with a fractional diffusion coefficient interpolating between the two regimes.

a Chiral Tagging Strategy for Determining Absolute Configuration and Enantiomeric Excess by Molecular Rotational Spectroscopy

Science.gov (United States)

Evangelisti, Luca; Caminati, Walther; Patterson, David; Thomas, Javix; Xu, Yunjie; West, Channing; Pate, Brooks

2017-06-01

The introduction of three wave mixing rotational spectroscopy by Patterson, Schnell, and Doyle [1,2] has expanded applications of molecular rotational spectroscopy into the field of chiral analysis. Chiral analysis of a molecule is the quantitative measurement of the relative abundances of all stereoisomers of the molecule and these include both diastereomers (with distinct molecular rotational spectra) and enantiomers (with equivalent molecular rotational spectra). This work adapts a common strategy in chiral analysis of enantiomers to molecular rotational spectroscopy. A "chiral tag" is attached to the molecule of interest by making a weakly bound complex in a pulsed jet expansion. When this tag molecule is enantiopure, it will create diastereomeric complexes with the two enantiomers of the molecule being analyzed and these can be differentiated by molecule rotational spectroscopy. Identifying the structure of this complex, with knowledge of the absolute configuration of the tag, establishes the absolute configuration of the molecule of interest. Furthermore, the diastereomer complex spectra can be used to determine the enantiomeric excess of the sample. The ability to perform chiral analysis will be illustrated by a study of solketal using propylene oxide as the tag. The possibility of using current methods of quantum chemistry to assign a specific structure to the chiral tag complex will be discussed. Finally, chiral tag rotational spectroscopy offers a "gold standard" method for determining the absolute configuration of the molecule through determination of the substitution structure of the complex. When this measurement is possible, rotational spectroscopy can deliver a quantitative three dimensional structure of the molecule with correct stereochemistry as the analysis output. [1] David Patterson, Melanie Schnell, John M. Doyle, Nature 497, 475 (2013). [2] David Patterson, John M. Doyle, Phys. Rev. Lett. 111, 023008 (2013).

Rotationally resolved flurorescence as a probe of molecular photoionization dynamics

International Nuclear Information System (INIS)

Poliakoff, E.D.; Kakar, S.; Choi, H.C.

1993-01-01

We present rotationally resolved data for N 2 (2σ u -1 ) photoionization in the excitation energy range 19 ≤ hν ≤ 35 eV. These are the first rotationally resolved measurements on the photoion over an extended spectral range above the ionization threshold. The requisite resolution is obtained by measuring rotationally resolved fluorescence from electronically excited photoions created by synchrotron radiation. This technique is useful for studying dynamical features embedded deep in the ionization continua and should supplement laser-based methods that are limited to probing near-threshold phenomena. The present study shows that the outgoing photoelectron can alter the rotational motion of the more massive photoion by exchanging angular momentum and this partitioning of angular momentum depends on the ionization dynamics. Thus, our data directly probe electron-molecule interactions and are sensitive probes of scattering dynamics. We are currently investigating dynamical features such as shape resonances and Cooper minima with rotational resolution for deciphering microscopic aspects of molecular scattering and these efforts will be discussed

High- and low-molecular-mass microbial surfactants.

Science.gov (United States)

Rosenberg, E; Ron, E Z

1999-08-01

Microorganisms synthesize a wide variety of high- and low-molecular-mass bioemulsifiers. The low-molecular-mass bioemulsifiers are generally glycolipids, such as trehalose lipids, sophorolipids and rhamnolipids, or lipopeptides, such as surfactin, gramicidin S and polymyxin. The high-molecular-mass bioemulsifiers are amphipathic polysaccharides, proteins, lipopolysaccharides, lipoproteins or complex mixtures of these biopolymers. The low-molecular-mass bioemulsifiers lower surface and interfacial tensions, whereas the higher-molecular-mass bioemulsifiers are more effective at stabilizing oil-in-water emulsions. Three natural roles for bioemulsifiers have been proposed: (i) increasing the surface area of hydrophobic water-insoluble growth substrates; (ii) increasing the bioavailability of hydrophobic substrates by increasing their apparent solubility or desorbing them from surfaces; (iii) regulating the attachment and detachment of microorganisms to and from surfaces. Bioemulsifiers have several important advantages over chemical surfactants, which should allow them to become prominent in industrial and environmental applications. The potential commercial applications of bioemulsifiers include bioremediation of oil-polluted soil and water, enhanced oil recovery, replacement of chlorinated solvents used in cleaning-up oil-contaminated pipes, vessels and machinery, use in the detergent industry, formulations of herbicides and pesticides and formation of stable oil-in-water emulsions for the food and cosmetic industries.

Klein-Gordon oscillator with position-dependent mass in the rotating cosmic string spacetime

Science.gov (United States)

Wang, Bing-Qian; Long, Zheng-Wen; Long, Chao-Yun; Wu, Shu-Rui

2018-02-01

A spinless particle coupled covariantly to a uniform magnetic field parallel to the string in the background of the rotating cosmic string is studied. The energy levels of the electrically charged particle subject to the Klein-Gordon oscillator are analyzed. Afterwards, we consider the case of the position-dependent mass and show how these energy levels depend on the parameters in the problem. Remarkably, it shows that for the special case, the Klein-Gordon oscillator coupled covariantly to a homogeneous magnetic field with the position-dependent mass in the rotating cosmic string background has the similar behaviors to the Klein-Gordon equation with a Coulomb-type configuration in a rotating cosmic string background in the presence of an external magnetic field.

The influence of molecular rotation on vibration--translation energy transfer

International Nuclear Information System (INIS)

McKenzie, R.L.

1977-01-01

The role of molecular rotations in the exchange of vibrational and translational energy is investigated for collisions between anharmonic diatomic molecules and structureless atoms. A three-dimensional, semiclassical, impact parameter description is applied with emphasis directed towards the influence of rotational coupling on the net rate of vibrational energy transfer summed over all final rotational states. These results are then related to the predictions of an equivalent collinear collision model, and their comparison allows an evaluation of the collinear approximation. The mechanisms of vibrational energy transfer including rotational transitions are shown to be separable into three classes, with the molecules belonging to each class identified first and foremost by their ratio of fundamental vibrational and rotational frequencies, ω/sub e//B/sub e/, and second by the proximity of their initial state to a near-resonant vibration--rotation transition with a small change in angular momentum. While the dynamics of molecules with ω/sub e//B/sub e/ ratios that are comparable to the range of angular momentum transitions having strong coupling are found to require a complete three-dimensional description, the rates of vibrational energy transfer in molecules with large ω/sub e//B/sub e/ ratios appear to be well approximated by a collinear collision model

The β Pictoris association low-mass members: Membership assessment, rotation period distribution, and dependence on multiplicity

Science.gov (United States)

Messina, S.; Lanzafame, A. C.; Malo, L.; Desidera, S.; Buccino, A.; Zhang, L.; Artemenko, S.; Millward, M.; Hambsch, F.-J.

2017-10-01

Context. Low-mass members of young loose stellar associations and open clusters exhibit a wide spread of rotation periods. Such a spread originates from the distributions of masses and initial rotation periods. However, multiplicity can also play a significant role. Aims: We aim to investigate the role played by physical companions in multiple systems in shortening the primordial disk lifetime, anticipating the rotation spin up with respect to single stars. Methods: We have compiled the most extensive list to date of low-mass bona fide and candidate members of the young 25-Myr β Pictoris association. We have measured from our own photometric time series or from archival time series the rotation periods of almost all members. In a few cases the rotation periods were retrieved from the literature. We used updated UVWXYZ components to assess the membership of the whole stellar sample. Thanks to the known basic properties of most members we built the rotation period distribution distinguishing between bona fide members and candidate members and according to their multiplicity status. Results: We find that single stars and components of multiple systems in wide orbits (>80 AU) have rotation periods that exhibit a well defined sequence arising from mass distribution with some level of spread likely arising from initial rotation period distribution. All components of multiple systems in close orbits (Pleiades shows that whereas the evolution of F-G stars is well reproduced by angular momentum evolution models, this is not the case for the slow K and early-M stars. Finally, we find that the amplitude of their light curves is correlated neither with rotation nor with mass. Conclusions: Once single stars and wide components of multiple systems are separated from close components of multiple systems, the rotation period distributions exhibit a well defined dependence on mass that allows us to make a meaningful comparison with similar distributions of either younger or older

Rotational Raman scattering using molecular nitrogen gas for calibration of Thomson-scattering apparatus

International Nuclear Information System (INIS)

Yamauchi, Toshihiko; Nakazawa, Ichiro

1987-01-01

Anti-Stokes rotational Raman lines in molecular nitrogen gas were used for the calibration of Thomson-scattering apparatus. It was found that molecular nitrogen gas is suitable for a vessel having strong stray light. The polarization ratio was 0.16 using linear-polarized laser light. (author)

Mass transfer behavior of rotating square cylinder electrochemical reactor in relation to wastewater treatment

International Nuclear Information System (INIS)

Abdel-Aziz, M.S.M.; El-Shazly, A.H.; Farag, H.A.; Sedahmed, G.H.

2011-01-01

Highlights: → The work explores a new electrochemical reactor by using square rotating cylinders. → The results show that it is superior to the traditional circular rotating cylinder. → A dimensionless design equation for the new reactor was correlated. → The oxalic acid removal by the new reactor was succeeded and found promising. → The energy consumption per kg oxalic acid removed by the unit was calculated. - Abstract: Rates of mass transfer at a rotating square cylinder were measured by an electrochemical technique which involved measuring the limiting current of the cathodic reduction of K 3 Fe(CN) 6 in a large excess of NaOH solution. Variables studied were: cylinder rotation speed, physical properties of the solution and cylinder equivalent diameter. The data for the condition 1577 0.33 Re 0.45 For a given set of conditions the rate of mass transfer at the square rotating cylinder was found to be higher than that at the traditional circular rotating cylinder by an amount ranging from 47% to 200% depending on Re. The use of the square rotating cylinder electrode in removing oxalic acid from wastewater by anodic oxidation on Pb/PbO anode was examined and found to be promising.

Relativistic Mechanics in Gravitational Fields Exterior to Rotating Homogeneous Mass Distributions within Spherical Geometry

Directory of Open Access Journals (Sweden)

Chifu E. N.

2009-07-01

Full Text Available General Relativistic metric tensors for gravitational fields exterior to homogeneous spherical mass distributions rotating with constant angular velocity about a fixed di- ameter are constructed. The coeffcients of affine connection for the gravitational field are used to derive equations of motion for test particles. The laws of conservation of energy and angular momentum are deduced using the generalized Lagrangian. The law of conservation of angular momentum is found to be equal to that in Schwarzschild’s gravitational field. The planetary equation of motion and the equation of motion for a photon in the vicinity of the rotating spherical mass distribution have rotational terms not found in Schwarzschild’s field.

Balance of dark and luminous mass in rotating galaxies.

Science.gov (United States)

McGaugh, Stacy S

2005-10-21

A fine balance between dark and baryonic mass is observed in spiral galaxies. As the contribution of the baryons to the total rotation velocity increases, the contribution of the dark matter decreases by a compensating amount. This poses a fine-tuning problem for galaxy formation models, and may point to new physics for dark matter particles or even a modification of gravity.

for the internal rotation evolution of low-mass stars

Directory of Open Access Journals (Sweden)

Pinçon Charly

2017-01-01

Full Text Available Due to the space-borne missions CoRoT and Kepler, noteworthy breakthroughs have been made in our understanding of stellar evolution, and in particular about the angular momentum redistribution in stellar interiors. Indeed, the high-precision seismic data provide with the measurement of the mean core rotation rate for thousands of low-mass stars from the subgiant branch to the red giant branch. All these observations exhibit much lower core rotation rates than expected by current stellar evolution codes and they emphasize the need for an additional transport process. In this framework, internal gravity waves (herefater, IGW could play a signifivative role since they are known to be able to transport angular momentum. In this work, we estimate the effciency of the transport by the IGW that are generated by penetrative convection at the interface between the convective and the radiative regions. As a first step, this study is based on the comparison between the timescale for the waves to modify a given rotation profile and the contraction/expansion timescale throughout the radiative zone of 1.3M⊙ stellar models. We show that IGW, on their own, are ineffcient to slow down the core rotation of stars on the red giant branch, where the radiative damping becomes strong enough and prevent the IGW from reaching the innermost layers. However, we find that IGW generated by penetrative convection could effciently modify the core rotation of subgiant stars as soon as the amplitude of the radial differential rotation between the core and the base of the convective zone is high enough, with typical values close to the observed rotation rates in these stars. This result argues for the necessity to account for IGW generated by penetrative convection in stellar modeling and in the angular momentum redistribution issue.

Rotation of Low-mass Stars in Upper Scorpius and ρ Ophiuchus with K2

Science.gov (United States)

Rebull, L. M.; Stauffer, J. R.; Cody, A. M.; Hillenbrand, L. A.; David, T. J.; Pinsonneault, M.

2018-05-01

We present an analysis of K2 light curves (LCs) for candidate members of the young Upper Sco (USco) association (∼8 Myr) and the neighboring ρ Oph embedded cluster (∼1 Myr). We establish ∼1300 stars as probable members, ∼80% of which are periodic. The phased LCs have a variety of shapes which can be attributed to physical causes ranging from stellar pulsation and stellar rotation to disk-related phenomena. We identify and discuss a number of observed behaviors. The periods are ∼0.2–30 days with a peak near 2 days and the rapid period end nearing breakup velocity. M stars in the young USco region rotate systematically faster than GK stars, a pattern also present in K2 data for the older Pleiades and Praesepe systems. At higher masses (types FGK), the well-defined period–color relationship for slowly rotating stars seen in the Pleiades and Praesepe systems is not yet present in USco. Circumstellar disks are present predominantly among the more slowly rotating M stars in USco, with few disks in the subday rotators. However, M dwarfs with disks rotate faster on average than FGK systems with disks. For four of these disked M dwarfs, we provide direct evidence for disk locking based on the K2 LC morphologies. Our preliminary analysis shows a relatively mass-independent spin-up by a factor of ∼3.5 between USco and the Pleiades, then mass-dependent spin-down between Pleiades and Praesepe.

Rotational perturbations of Friedmann universes in Einstein zero mass scalar theory

International Nuclear Information System (INIS)

Krori, K.D.; Sarmah, J.C.; Goswami, D.

1983-01-01

The authors find that except in the case of 'perfect dragging', the zero mass scalar field has a damping effect on the rotation of matter. One of the three cases studied here shows that the scalar field may exist only during a certain interval in the course of the evolution of the universe. The zero mass scaler field has acquired particular importance recently because of a suggestion by Weinberg and Wilezek that there should exist a pseudo-scalar boson, the so-called axion, of negligible mass

Rotational Laser Cooling of Vibrationally and Translationally Cold Molecular Ions

DEFF Research Database (Denmark)

Drewsen, Michael

2011-01-01

an excellent alternative to atomic qubits in the realization of a practical ion trap based quantum computer due to favourable internal state decoherence rates. In chemistry, state prepared molecular targets are an ideal starting point for uni-molecular reactions, including coherent control...... of photofragmentation through the application of various laser sources [5,6]. In cold bi-molecular reactions, where the effect of even tiny potential barriers becomes significant, experiments with state prepared molecules can yield important information on the details of the potential curves of the molecular complexes...... by sympathetic cooling with Doppler laser cooled Mg+ ions. Giving the time for the molecules to equilibrate internally to the room temperature blackbody radiation, the vibrational degree of freedom will freeze out, leaving only the rotational degree of freedom to be cooled. We report here on the implementation...

Rotational explanation of the high-velocity meolecular emission from the Orion Molecular Cloud

International Nuclear Information System (INIS)

Clark, F.O.; Biretta, J.A.; Martin, H.M.

1979-01-01

The high-velocity molecular emission of the Orion Molecular Cloud has been sampled using the J/sub N/=2 2 --1 1 rotational spectral line of the SO molecule. The resulting profile, including the high-velocity wings, has been reproduced using only known large-scale properties of the gas and applications of the results of published theoretical calculations. No new physical mechanism is required; observed rotation and conservation of angular momentum are sufficient to reproduce the line profile. The resulting physical state appears to be consistent with all known physical properties. This solution is not unique, but indicates the strengths and weaknesses of such a model for interpretation of Orion as well as the similarities of alternative explanations

Rotational dynamics in supercooled water from nuclear spin relaxation and molecular simulations.

Science.gov (United States)

Qvist, Johan; Mattea, Carlos; Sunde, Erik P; Halle, Bertil

2012-05-28

Structural dynamics in liquid water slow down dramatically in the supercooled regime. To shed further light on the origin of this super-Arrhenius temperature dependence, we report high-precision (17)O and (2)H NMR relaxation data for H(2)O and D(2)O, respectively, down to 37 K below the equilibrium freezing point. With the aid of molecular dynamics (MD) simulations, we provide a detailed analysis of the rotational motions probed by the NMR experiments. The NMR-derived rotational correlation time τ(R) is the integral of a time correlation function (TCF) that, after a subpicosecond librational decay, can be described as a sum of two exponentials. Using a coarse-graining algorithm to map the MD trajectory on a continuous-time random walk (CTRW) in angular space, we show that the slowest TCF component can be attributed to large-angle molecular jumps. The mean jump angle is ∼48° at all temperatures and the waiting time distribution is non-exponential, implying dynamical heterogeneity. We have previously used an analogous CTRW model to analyze quasielastic neutron scattering data from supercooled water. Although the translational and rotational waiting times are of similar magnitude, most translational jumps are not synchronized with a rotational jump of the same molecule. The rotational waiting time has a stronger temperature dependence than the translation one, consistent with the strong increase of the experimentally derived product τ(R) D(T) at low temperatures. The present CTRW jump model is related to, but differs in essential ways from the extended jump model proposed by Laage and co-workers. Our analysis traces the super-Arrhenius temperature dependence of τ(R) to the rotational waiting time. We present arguments against interpreting this temperature dependence in terms of mode-coupling theory or in terms of mixture models of water structure.

Quantum control of a chiral molecular motor driven by femtosecond laser pulses: Mechanisms of regular and reverse rotations

International Nuclear Information System (INIS)

Yamaki, M.; Hoki, K.; Kono, H.; Fujimura, Y.

2008-01-01

Rotational mechanisms of a chiral molecular motor driven by femtosecond laser pulses were investigated on the basis of results of a quantum control simulation. A chiral molecule, (R)-2-methyl-cyclopenta-2,4-dienecarboaldehyde, was treated as a molecular motor within a one-dimensional model. It was assumed that the motor is fixed on a surface and driven in the low temperature limit. Electric fields of femtosecond laser pulses driving both regular rotation of the molecular motor with a plus angular momentum and reverse rotation with a minus one were designed by using a global control method. The mechanism of the regular rotation is similar to that obtained by a conventional pump-dump pulse method: the direction of rotation is the same as that of the initial wave packet propagation on the potential surface of the first singlet (nπ*) excited state S 1 . A new control mechanism has been proposed for the reverse rotation that cannot be driven by a simple pump-dump pulse method. In this mechanism, a coherent Stokes pulse creates a wave packet localized on the ground state potential surface in the right hand side. The wave packet has a negative angular momentum to drive reverse rotation at an early time

THE ROTATION RATES OF MASSIVE STARS: THE ROLE OF BINARY INTERACTION THROUGH TIDES, MASS TRANSFER, AND MERGERS

Energy Technology Data Exchange (ETDEWEB)

De Mink, S. E. [Space Telescope Science Institute, Baltimore, MD (United States); Langer, N.; Izzard, R. G. [Argelander-Institut fuer Astronomie der Universitaet Bonn, D-53121 Bonn (Germany); Sana, H.; De Koter, A. [Astronomical Institute Anton Pannekoek, University of Amsterdam, 1098 XH Amsterdam (Netherlands)

2013-02-20

Rotation is thought to be a major factor in the evolution of massive stars-especially at low metallicity-with consequences for their chemical yields, ionizing flux, and final fate. Deriving the birth spin distribution is of high priority given its importance as a constraint on theories of massive star formation and as input for models of stellar populations in the local universe and at high redshift. Recently, it has become clear that the majority of massive stars interact with a binary companion before they die. We investigate how this affects the distribution of rotation rates, through stellar winds, expansion, tides, mass transfer, and mergers. For this purpose, we simulate a massive binary-star population typical for our Galaxy assuming continuous star formation. We find that, because of binary interaction, 20{sup +5} {sub -10}% of all massive main-sequence stars have projected rotational velocities in excess of 200 km s{sup -1}. We evaluate the effect of uncertain input distributions and physical processes and conclude that the main uncertainties are the mass transfer efficiency and the possible effect of magnetic braking, especially if magnetic fields are generated or amplified during mass accretion and stellar mergers. The fraction of rapid rotators we derive is similar to that observed. If indeed mass transfer and mergers are the main cause for rapid rotation in massive stars, little room remains for rapidly rotating stars that are born single. This implies that spin-down during star formation is even more efficient than previously thought. In addition, this raises questions about the interpretation of the surface abundances of rapidly rotating stars as evidence for rotational mixing. Furthermore, our results allow for the possibility that all early-type Be stars result from binary interactions and suggest that evidence for rotation in explosions, such as long gamma-ray bursts, points to a binary origin.

The asymmetric rotator model applied to odd-mass iridium isotopes

International Nuclear Information System (INIS)

Piepenbring, R.

1980-04-01

The method of inversion of the eigenvalue problem previously developed for nuclei with axial symmetry is extended to asymmetric equilibrium shapes. This new approach of the asymmetric rotator model is applied to the odd-mass iridium isotopes. A satisfactory and coherent description of the observed energy spectra is obtained, especially for the lighter isotopes

The role of rotation in the evolution of massive stars losing mass

International Nuclear Information System (INIS)

Sreenivasan, S.R.; Wilson, W.J.F.

1979-01-01

The role of differential and solid body rotation in the evolution of massive stars undergoing mass loss is discussed. The implications for Of, WR, β Cephei stars and shell stars are brought out. (Auth.)

Broadband Rotational Spectroscopy

Science.gov (United States)

Pate, Brooks

2014-06-01

The past decade has seen several major technology advances in electronics operating at microwave frequencies making it possible to develop a new generation of spectrometers for molecular rotational spectroscopy. High-speed digital electronics, both arbitrary waveform generators and digitizers, continue on a Moore's Law-like development cycle that started around 1993 with device bandwidth doubling about every 36 months. These enabling technologies were the key to designing chirped-pulse Fourier transform microwave (CP-FTMW) spectrometers which offer significant sensitivity enhancements for broadband spectrum acquisition in molecular rotational spectroscopy. A special feature of the chirped-pulse spectrometer design is that it is easily implemented at low frequency (below 8 GHz) where Balle-Flygare type spectrometers with Fabry-Perot cavity designs become technologically challenging due to the mirror size requirements. The capabilities of CP-FTMW spectrometers for studies of molecular structure will be illustrated by the collaborative research effort we have been a part of to determine the structures of water clusters - a project which has identified clusters up to the pentadecamer. A second technology trend that impacts molecular rotational spectroscopy is the development of high power, solid state sources in the mm-wave/THz regions. Results from the field of mm-wave chirped-pulse Fourier transform spectroscopy will be described with an emphasis on new problems in chemical dynamics and analytical chemistry that these methods can tackle. The third (and potentially most important) technological trend is the reduction of microwave components to chip level using monolithic microwave integrated circuits (MMIC) - a technology driven by an enormous mass market in communications. Some recent advances in rotational spectrometer designs that incorporate low-cost components will be highlighted. The challenge to the high-resolution spectroscopy community - as posed by Frank De

Rotation in moderate-mass pre-main-sequence radiative track G stars

International Nuclear Information System (INIS)

Mcnamara, B.

1990-01-01

Recent studies suggest that the observed high-mass radiative track velocity histograms for pre-main-sequence stars differ significantly. In the Vogel and Kuhi (1981) study, these stars were found to possess a rather broad distribution of rotational velocities with a moderate peak at low velocities. In contrast, Smith et al. (1983), found a very sharply peaked distribution located at low values of v sin i. The difference in these velocity distributions is shown to be due to inadequate allowance for field stars in the Smith, et al., work. Once these stars are removed, the high-mass velocity distributions of the two regions are remarkably similar. This result suggests that a unique velocity distribution might be used in modeling very young stars. Assuming that the Orion Ic proto-F stars continue to contract in a homologous fashion, their average current rotational velocity is in agreement with that expected for zero-age main sequence F stars. 27 refs

Translational-rotational interaction in dynamics and thermodynamics of 2D atomic crystal with molecular impurity

International Nuclear Information System (INIS)

Antsygina, T.N.; Poltavskaya, M.I.; Chishko, K.A.

2003-01-01

The interaction between the rotational degrees of freedom of a diatomic molecular impurity and the phonon excitations of a two-dimensional atomic matrix commensurate with a substrate is investigated theoretically. It is shown, that the translational-rotational interaction changes the form of the rotational kinetic energy operator as compared to the corresponding expression for a free rotator, and also renormalized the parameters of the crystal field without change in its initial form. The contribution of the impurity rotational degrees of freedom to the low-temperature heat capacity for a dilute solution of diatomic molecules in an atomic two-dimensional matrix is calculated. The possibility of experimental observation of the effects obtained is discussed

Anisotropic Rotational Diffusion Studied by Nuclear Spin Relaxation and Molecular Dynamics Simulation: An Undergraduate Physical Chemistry Laboratory

Science.gov (United States)

Fuson, Michael M.

2017-01-01

Laboratories studying the anisotropic rotational diffusion of bromobenzene using nuclear spin relaxation and molecular dynamics simulations are described. For many undergraduates, visualizing molecular motion is challenging. Undergraduates rarely encounter laboratories that directly assess molecular motion, and so the concept remains an…

Interferometric Mapping of Perseus Outflows with MASSES

Science.gov (United States)

Stephens, Ian; Dunham, Michael; Myers, Philip C.; MASSES Team

2017-01-01

The MASSES (Mass Assembly of Stellar Systems and their Evolution with the SMA) survey, a Submillimeter Array (SMA) large-scale program, is mapping molecular lines and continuum emission about the 75 known Class 0/I sources in the Perseus Molecular Cloud. In this talk, I present some of the key results of this project, with a focus on the CO(2-1) maps of the molecular outflows. In particular, I investigate how protostars inherit their rotation axes from large-scale magnetic fields and filamentary structure.

Spectroscopic and physical parameters of Galactic O-type stars. III. Mass discrepancy and rotational mixing

Science.gov (United States)

Markova, N.; Puls, J.; Langer, N.

2018-05-01

Context. Massive stars play a key role in the evolution of galaxies and our Universe. Aims: Our goal is to compare observed and predicted properties of single Galactic O stars to identify and constrain uncertain physical parameters and processes in stellar evolution and atmosphere models. Methods: We used a sample of 53 objects of all luminosity classes and with spectral types from O3 to O9.7. For 30 of these, we determined the main photospheric and wind parameters, including projected rotational rates accounting for macroturbulence, and He and N surface abundances, using optical spectroscopy and applying the model atmosphere code FASTWIND. For the remaining objects, similar data from the literature, based on analyses by means of the CMFGEN code, were used instead. The properties of our sample were then compared to published predictions based on two grids of single massive star evolution models that include rotationally induced mixing. Results: Any of the considered model grids face problem in simultaneously reproducing the stellar masses, equatorial gravities, surface abundances, and rotation rates of our sample stars. The spectroscopic masses derived for objects below 30 M⊙ tend to be smaller than the evolutionary ones, no matter which of the two grids have been used as a reference. While this result may indicate the need to improve the model atmosphere calculations (e.g. regarding the treatment of turbulent pressure), our analysis shows that the established mass problem cannot be fully explained in terms of inaccurate parameters obtained by quantitative spectroscopy or inadequate model values of Vrot on the zero age main sequence. Within each luminosity class, we find a close correlation of N surface abundance and luminosity, and a stronger N enrichment in more massive and evolved O stars. Additionally, we also find a correlation of the surface nitrogen and helium abundances. The large number of nitrogen-enriched stars above 30 M⊙ argues for rotationally

Rotational Coherence Encoded in an “Air-Laser” Spectrum of Nitrogen Molecular Ions in an Intense Laser Field

Directory of Open Access Journals (Sweden)

Haisu Zhang

2013-10-01

Full Text Available We investigate lasing action in aligned nitrogen molecular ions (N_{2}^{+} produced in an intense laser field. We find that, besides the population inversion between the B^{2}Σ_{u}^{+}-X^{2}Σ_{g}^{+} states, which is responsible for the observed simulated amplification of a seed pulse, a rotational wave packet in the ground vibrational state (v=0 of the excited electronic B^{2}Σ_{u}^{+} state has been created in N_{2}^{+}. The rotational coherence can faithfully encode its characteristics into the amplified seed pulses, enabling reconstruction of rotational wave packets of molecules in a single-shot detection manner from the frequency-resolved laser spectrum. Our results suggest that the air laser can potentially provide a promising tool for remote characterization of coherent molecular rotational wave packets.

Frequency Shift of a Rotating Mass-Imbalance Immersed in an Acoustic Fluid

International Nuclear Information System (INIS)

Stephen R. Novascone; David M. Weinberg; Michael J. Anderson

2005-01-01

In this paper, we describe a physical mechanism that relates a measurable behavior of a vibrating device to the physical properties of a surrounding acoustic medium. The vibrating device under consideration is a rotating imbalance immersed in an unbounded acoustic fluid. It is assumed that the rotating imbalance is driven by an electromagnetic motor excited by a given DC voltage. If nonlinearities are ignored, the steady state operational frequency of such a device is determined by a balance between the applied electromagnetic and opposing frictional torque on the rotating imbalance. If nonlinearities are retained, it is shown that under certain circumstances, the surrounding acoustic medium exerts an additional time-averaged opposing torque on the rotating imbalance that reduces the operational frequency of the device. Consequently, the operational frequency of the device becomes linked to the physical properties of the surrounding medium. Analytical calculations showed that the radiative resistance of an acoustic fluid caused the opposing torque. The shift in frequency is proportional to the radiative resistance and the square of the rotating eccentricity, but inversely proportional the total transducer mass and the damping effect of the DC motor

PRE-SUPERNOVA EVOLUTION OF ROTATING SOLAR METALLICITY STARS IN THE MASS RANGE 13-120 M {sub Sun} AND THEIR EXPLOSIVE YIELDS

Energy Technology Data Exchange (ETDEWEB)

Chieffi, Alessandro [Istituto Nazionale di Astrofisica-Istituto di Astrofisica e Planetologia Spaziali, Via Fosso del Cavaliere 100, I-00133 Roma (Italy); Limongi, Marco, E-mail: alessandro.chieffi@inaf.it, E-mail: marco.limongi@oa-roma.inaf.it [Centre for Stellar and Planetary Astrophysics, School of Mathematical Sciences, P.O. Box 28M, Monash University, Victoria 3800 (Australia)

2013-02-10

We present the first set of a new generation of models of massive stars with a solar composition extending between 13 and 120 M {sub Sun }, computed with and without the effects of rotation. We included two instabilities induced by rotation: the meridional circulation and the shear instability. We implemented two alternative schemes to treat the transport of the angular momentum: the advection-diffusion formalism and the simpler purely diffusive one. The full evolution from the pre-main sequence up to the pre-supernova stage is followed in detail with a very extended nuclear network. The explosive yields are provided for a variety of possible mass cuts and are available at the Web site http://www.iasf-roma.inaf.it/orfeo/public{sub h}tml. We find that both the He and the CO core masses are larger than those of their non-rotating counterparts. Also the C abundance left by the He burning is lower than in the non-rotating case, especially for stars with an initial mass of 13-25 M {sub Sun }, and this affects the final mass-radius relation, basically the final binding energy, at the pre-supernova stage. The elemental yields produced by a generation of stars rotating initially at 300 km s{sup -1} do not change substantially with respect to those produced by a generation of non-rotating massive stars, the main differences being a slight overproduction of the weak s-component and a larger production of F. Since rotation also affects the mass-loss rate, either directly or indirectly, we find substantial differences in the lifetimes as O-type and Wolf-Rayet subtypes between the rotating and non-rotating models. The maximum mass exploding as Type IIP supernova ranges between 15 and 20 M {sub Sun} in both sets of models (this value depends basically on the larger mass-loss rates in the red supergiant phase due to the inclusion of the dust-driven wind). This limiting value is in remarkably good agreement with current estimates.

A study of fast bunch rotation in the negative mass region

CERN Document Server

Rumolo, Giovanni

2001-01-01

Fast bunch rotation of high-intensity proton or ion bunches above transition is - in principle - supported by the self-bunching effect of the attractive space charge force ("negative instabilities"). Due to the broad-band nature of the space charge impedance, the highest harmonics of this negative mass mode grow fast and inhibit compression, unless the bunch rotation is accelerated by a sufficiently high rf-voltage. Using particle-in-cell simulation we establish the threshold below which effective compression is still possible. We find that the required rf-voltage for compression of a given bunch above transition can be reduced at most by a factor 2 compared with compression below transition, where space charge requires extra voltage.

Spectral Variability of Two Rapidly Rotating Brown Dwarfs: 2MASS J08354256-0819237 and 2MASS J18212815+1414010

OpenAIRE

Schlawin, Everett; Burgasser, Adam J.; Karalidi, Theodora; Gizis, John; Teske, Johanna

2017-01-01

L dwarfs exhibit low-level, rotationally-modulated photometric variability generally associated with heterogeneous, cloud-covered atmospheres. The spectral character of these variations yields insight into the particle sizes and vertical structure of the clouds. Here we present the results of a high precision, ground-based, near-infrared, spectral monitoring study of two mid-type L dwarfs that have variability reported in the literature, 2MASS J08354256-0819237 and 2MASS J18212815+1414010, us...

Molecular rotation and dynamics in superfluid helium-4 nanodroplets

Science.gov (United States)

Callegari, Carlo

2000-11-01

Cavity-enhanced laser radiation, coupled to molecular- beam bolometric detection has been used to study the spectroscopy of acetylenic molecules embedded in helium nanodroplets. The 2ν1 transition (CH stretch overtone) of HCN, DCCH, NCCCH, CH3CCH, CF3CCH, (CH 3)3CCCH, (CH3)3SiCCH, has been investigated in the 1.5 μm spectral region by means of a color center laser coupled to a resonant build-up cavity, which enhances the laser power experienced by the molecules in the beam by up to a factor of 400, thus overcoming the weakness of the (dipole forbidden) transitions. All molecules are observed to rotate freely in the liquid cluster environment, with strongly enhanced moments of inertia, but with negligible matrix induced shifts (less than 1 cm-1). We show that this enhancement is largely accounted for by hydrodynamic effects, which we have modeled and numerically calculated. While in the gas phase the rotational lines have instrument-limited widths (a few MHZ), in the droplets we have observed linewidths ranging from 600 MHz for (CH3)3SiCCH to 2.8GHz for (CH3) 3CCCH. To investigate the nature of the broadening (which was widely believed to be homogeneous), we have performed a series of infrared (IR) saturation experiments on the 2ν1 transition. We have also thoroughly investigated NCCCH by means of microwave (MW) single-resonance experiments (on rotational transitions) and double-resonance (MW-MW and MW-IR) experiments. The results demonstrate that the spectral features of molecules in He droplets are inhomogeneously broadened, and allow an estimate of the importance of the different broadening contributions. In particular, MW-IR measurements show that the size of the cluster greatly affects the way rotational energy is relaxed. Large clusters seem to follow a ``strong collision model'' where memory of the initial rotational state is completely lost after each ``relaxation'' event, while for smaller clusters relaxation rates are probably affected by the lower

Molecular rotation and dynamics in superfluid ^4He nanodroplets

Science.gov (United States)

Callegari, Carlo

2001-05-01

Cavity-enhanced laser radiation, coupled to molecular-beam bolometric detection has been used to study the spectroscopy of acetylenic molecules embedded in helium nanodroplets. The 2ν1 transition (CH stretch overtone) of HCN, DCCH, NCCCH, CH_3CCH, CF_3CCH, (CH_3)_3CCCH, (CH_3)_3SiCCH, has been investigated in the 1.5 μm spectral region by means of a color center laser coupled to a resonant buildup cavity, which enhances the laser power experienced by the molecules in the beam by up to a factor of 400, thus overcoming the weakness of the (harmonically forbidden) transitions. All molecules are observed to rotate freely in the liquid cluster environment, with strongly enhanced moments of inertia, but with negligible matrix induced shifts (less than 1 cm-1). We show that this enhancement is largely accounted for by hydrodynamic effects, which we have modeled and numerically calculated. While in the gas phase the rotational lines have instrument-limited widths (a few MHz), in the droplets we have observed linewidths ranging from 600 MHz for (CH_3)_3SiCCH to 2.8 GHz for (CH_3)_3CCCH. To investigate the nature of the broadening (which was widely believed to be homogeneous), we have performed a series of infrared (IR) saturation experiments on the 2ν1 transition. We have also thoroughly investigated NCCCH by means of microwave (MW) single-resonance experiments (on rotational transitions) and double-resonance (MW-MW and MW-IR) experiments. The results demonstrate that the spectral features of molecules in He droplets are inhomogeneously broadened, and allow an estimate of the importance of the different broadening contributions. In particular, MW-IR measurements show that the size of the cluster greatly affects the way rotational energy is relaxed. Large clusters seem to follow a ``strong collision model'' where memory of the initial rotational state is completely lost after each ``relaxation'' event, while for smaller clusters relaxation rates are probably affected by

Photoelectron photoion molecular beam spectroscopy

International Nuclear Information System (INIS)

Trevor, D.J.

1980-12-01

The use of supersonic molecular beams in photoionization mass spectroscopy and photoelectron spectroscopy to assist in the understanding of photoexcitation in the vacuum ultraviolet is described. Rotational relaxation and condensation due to supersonic expansion were shown to offer new possibilities for molecular photoionization studies. Molecular beam photoionization mass spectroscopy has been extended above 21 eV photon energy by the use of Stanford Synchrotron Radiation Laboratory (SSRL) facilities. Design considerations are discussed that have advanced the state-of-the-art in high resolution vuv photoelectron spectroscopy. To extend gas-phase studies to 160 eV photon energy, a windowless vuv-xuv beam line design is proposed

The effect of the molecular mass on the sputtering by electrosprayed nanodroplets

Energy Technology Data Exchange (ETDEWEB)

Borrajo-Pelaez, Rafael; Gamero-Castaño, Manuel, E-mail: mgameroc@uci.edu

2015-07-30

Highlights: • We study the effect of the molecular mass on nanodroplet sputtering of silicon. • The impact phenomenology is a strong function of the projectile’s molecular mass. • Nanodroplet sputtering intrinsically is a molecular scale phenomenon. - Abstract: Energetic bombardment of covalently bonded materials by electrosprayed nanodroplets causes sputtering and topographic changes on the surface of the target. This work investigates the influence of the projectile's molecular mass on these phenomena by sputtering single-crystal silicon wafers with a variety of liquids (molecular masses between 45.0 and 773.3 amu), and acceleration voltages. The electrosprays are characterized via time of flight to determine the charge to mass ratio of the nanodroplets which, together with the acceleration voltage, yield the impact velocity, the stagnation pressure, and the molecular kinetic energy of the projectile. The estimated range of droplet diameters is 20–79 nm, while the impact velocity, the stagnation pressure and the molecular kinetic energy range between 2.9–10 km/s, 4.7–63 GPa, and 2.1–98 eV. We find that the damage on the surface of the targets strongly depends on the molecular mass of the projectile: liquids with low molecular mass sputter significantly less and produce nanometric indentations and low surface roughness, the latter increasing moderately with stagnation pressure; in contrast, the roughness and sputtering caused by the impacts of droplets with larger molecular mass reach significantly higher values, and exhibit non-monotonic behaviors. The maximum sputtering yields for formamide, EAN, EMI-BF{sub 4}, EMI-Im, TES, and TPP are 0.20, 0.75, 1.20, 2.80, 4.00 and 2.90 silicon atoms per molecule in the projectile. These trends indicate that despite their rather large diameters, the sputtering by electrosprayed nanodroplets is intrinsically a molecular scale phenomenon.

Dynamic Models of Instruments Using Rotating Unbalanced Masses

Science.gov (United States)

Hung, John Y.; Gallaspy, Jason M.; Bishop, Carlee A.

1998-01-01

The motion of telescopes, satellites, and other flight bodies have been controlled by various means in the past. For example, gimbal mounted devices can use electric motors to produce pointing and scanning motions. Reaction wheels, control moment gyros, and propellant-charged reaction jets are other technologies that have also been used. Each of these methods has its advantages, but all actuator systems used in a flight environment face the challenges of minimizing weight, reducing energy consumption, and maximizing reliability. Recently, Polites invented and patented the Rotating Unbalanced Mass (RUM) device as a means for generation scanning motion on flight experiments. RUM devices together with traditional servomechanisms have been successfully used to generate various scanning motions: linear, raster, and circular. The basic principle can be described: A RUM rotating at constant angular velocity exerts a cyclic centrifugal force on the instrument or main body, thus producing a periodic scanning motion. A system of RUM devices exerts no reaction forces on the main body, requires very little energy to rotate the RUMS, and is simple to construct. These are significant advantages over electric motors, reaction wheels, and control moment gyroscopes. Although the RUM device very easily produces scanning motion, an auxiliary control system has been required to maintain the proper orientation, or pointing of the main body. It has been suggested that RUM devices can be used to control pointing dynamics, as well as generate the desired periodic scanning motion. The idea is that the RUM velocity will not be kept constant, but will vary over the period of one RUM rotation. The thought is that the changing angular velocity produces a centrifugal force having time-varying magnitude and direction. The scope of this ongoing research project is to study the pointing control concept, and recommend a direction of study for advanced pointing control using only RUM devices. This

Molecular dynamics of nanodroplet impact: The effect of the projectile’s molecular mass on sputtering

Energy Technology Data Exchange (ETDEWEB)

Saiz, Fernan [Department of Chemistry, Imperial College of Science, Technology and Medicine, South Kensington, London, SW7 2A7 (United Kingdom); Gamero-Castaño, Manuel, E-mail: mgameroc@uci.edu [Department of Mechanical and Aerospace Engineering, University of California, Irvine, California, 92697 (United States)

2016-06-15

The impact of electrosprayed nanodroplets on ceramics at several km/s alters the atomic order of the target, causing sputtering, surface amorphization and cratering. The molecular mass of the projectile is known to have a strong effect on the impact phenomenology, and this article aims to rationalize this dependency using molecular dynamics. To achieve this goal, the article models the impact of four projectiles with molecular masses between 45 and 391 amu, and identical diameters and kinetic energies, 10 nm and 63 keV, striking a silicon target. In agreement with experiments, the simulations show that the number of sputtered atoms strongly increases with molecular mass. This is due to the increasing intensity of collision cascades with molecular mass: when the fixed kinetic energy of the projectile is distributed among fewer, more massive molecules, their collisions with the target produce knock-on atoms with higher energies, which in turn generate more energetic and larger numbers of secondary and tertiary knock-on atoms. The more energetic collision cascades intensify both knock-on sputtering and, upon thermalization, thermal sputtering. Besides enhancing sputtering, heavier molecules also increase the fraction of the projectile’s energy that is transferred to the target, as well as the fraction of this energy that is dissipated.

Molecular dynamics of nanodroplet impact: The effect of the projectile’s molecular mass on sputtering

International Nuclear Information System (INIS)

Saiz, Fernan; Gamero-Castaño, Manuel

2016-01-01

The impact of electrosprayed nanodroplets on ceramics at several km/s alters the atomic order of the target, causing sputtering, surface amorphization and cratering. The molecular mass of the projectile is known to have a strong effect on the impact phenomenology, and this article aims to rationalize this dependency using molecular dynamics. To achieve this goal, the article models the impact of four projectiles with molecular masses between 45 and 391 amu, and identical diameters and kinetic energies, 10 nm and 63 keV, striking a silicon target. In agreement with experiments, the simulations show that the number of sputtered atoms strongly increases with molecular mass. This is due to the increasing intensity of collision cascades with molecular mass: when the fixed kinetic energy of the projectile is distributed among fewer, more massive molecules, their collisions with the target produce knock-on atoms with higher energies, which in turn generate more energetic and larger numbers of secondary and tertiary knock-on atoms. The more energetic collision cascades intensify both knock-on sputtering and, upon thermalization, thermal sputtering. Besides enhancing sputtering, heavier molecules also increase the fraction of the projectile’s energy that is transferred to the target, as well as the fraction of this energy that is dissipated.

Vector correlations in rotationally inelastic molecular collisions

International Nuclear Information System (INIS)

Lemeshko, Mikhail

2011-01-01

The thesis presents an analytic model that describes scalar and vector properties of molecular collisions, both field-free and in fields. The model is based on the sudden approximation and treats molecular scattering as the Fraunhofer diffraction of matter waves from the hard-core part of the interaction potential. The theory has no fitting parameters and is inherently quantum, rendering fully state- and energy-resolved scattering amplitudes and all the quantities that unfold from them in analytic form. This allows to obtain complex polarization moments inherent to quantum stereodynamics, and to account for interference and other non-classical effects. The simplicity and analyticity of the model paves a way to understanding the origin of the features observed in experiment and exact computations, such as the angular oscillations in the state-to-state differential cross sections and the polarization moments, the rotational-state dependent variation of the integral cross sections, and change of these quantities as a function of the applied field. The theory was applied to study the k - k ' vector correlation (differential cross section) for the following collision systems: Ar-NO(X 2 Π) and Ne-OCS(X 1 Σ) in an electrostatic field, Na + -N 2 (X 1 Σ) in a laser field, and He-CaH( 2 Σ), He-O 2 (X 3 Σ), and He-OH(X 2 Π) in a magnetic field. The model was able to reproduce the behavior of the differential cross sections and their variation with field strength. Combining the Fraunhofer model with the quantum theory of vector correlations made it possible to study three- and four-vector properties. The model results for the k-k ' -j ' vector correlation in Ar-NO(X 2 Π) and He-NO(X 2 Π) scattering were found to be in good agreement with experiment and exact computations. This allowed to demonstrate that the stereodynamics of such collisions is contained solely in the diffractive part of the scattering amplitude which is governed by a single Legendre moment

Vector correlations in rotationally inelastic molecular collisions

Energy Technology Data Exchange (ETDEWEB)

Lemeshko, Mikhail

2011-04-13

The thesis presents an analytic model that describes scalar and vector properties of molecular collisions, both field-free and in fields. The model is based on the sudden approximation and treats molecular scattering as the Fraunhofer diffraction of matter waves from the hard-core part of the interaction potential. The theory has no fitting parameters and is inherently quantum, rendering fully state- and energy-resolved scattering amplitudes and all the quantities that unfold from them in analytic form. This allows to obtain complex polarization moments inherent to quantum stereodynamics, and to account for interference and other non-classical effects. The simplicity and analyticity of the model paves a way to understanding the origin of the features observed in experiment and exact computations, such as the angular oscillations in the state-to-state differential cross sections and the polarization moments, the rotational-state dependent variation of the integral cross sections, and change of these quantities as a function of the applied field. The theory was applied to study the k - k{sup '} vector correlation (differential cross section) for the following collision systems: Ar-NO(X{sup 2}{pi}) and Ne-OCS(X{sup 1}{sigma}) in an electrostatic field, Na{sup +}-N{sub 2}(X{sup 1}{sigma}) in a laser field, and He-CaH({sup 2}{sigma}), He-O{sub 2}(X{sup 3}{sigma}), and He-OH(X{sup 2}{pi}) in a magnetic field. The model was able to reproduce the behavior of the differential cross sections and their variation with field strength. Combining the Fraunhofer model with the quantum theory of vector correlations made it possible to study three- and four-vector properties. The model results for the k-k{sup '}-j{sup '} vector correlation in Ar-NO(X{sup 2}{pi}) and He-NO(X{sup 2}{pi}) scattering were found to be in good agreement with experiment and exact computations. This allowed to demonstrate that the stereodynamics of such collisions is contained solely in the

SDSS-IV MaNGA: a distinct mass distribution explored in slow-rotating early-type galaxies

Science.gov (United States)

Rong, Yu; Li, Hongyu; Wang, Jie; Gao, Liang; Li, Ran; Ge, Junqiang; Jing, Yingjie; Pan, Jun; Fernández-Trincado, J. G.; Valenzuela, Octavio; Ortíz, Erik Aquino

2018-06-01

We study the radial acceleration relation (RAR) for early-type galaxies (ETGs) in the SDSS MaNGA MPL5 data set. The complete ETG sample show a slightly offset RAR from the relation reported by McGaugh et al. (2016) at the low-acceleration end; we find that the deviation is due to the fact that the slow rotators show a systematically higher acceleration relation than the McGaugh's RAR, while the fast rotators show a consistent acceleration relation to McGaugh's RAR. There is a 1σ significant difference between the acceleration relations of the fast and slow rotators, suggesting that the acceleration relation correlates with the galactic spins, and that the slow rotators may have a different mass distribution compared with fast rotators and late-type galaxies. We suspect that the acceleration relation deviation of slow rotators may be attributed to more galaxy merger events, which would disrupt the original spins and correlated distributions of baryons and dark matter orbits in galaxies.

[Study on spectrum analysis of X-ray based on rotational mass effect in special relativity].

Science.gov (United States)

Yu, Zhi-Qiang; Xie, Quan; Xiao, Qing-Quan

2010-04-01

Based on special relativity, the formation mechanism of characteristic X-ray has been studied, and the influence of rotational mass effect on X-ray spectrum has been given. A calculation formula of the X-ray wavelength based upon special relativity was derived. Error analysis was carried out systematically for the calculation values of characteristic wavelength, and the rules of relative error were obtained. It is shown that the values of the calculation are very close to the experimental values, and the effect of rotational mass effect on the characteristic wavelength becomes more evident as the atomic number increases. The result of the study has some reference meaning for the spectrum analysis of characteristic X-ray in application.

The rotation of NO3− as a probe of molecular ion - water interactions

Directory of Open Access Journals (Sweden)

Ogden T.

2013-03-01

Full Text Available The hydration dynamics of aqueous nitrate, NO3−(aq, is studied by 2D-IR spectroscopy, UV-IR- and UV-UV transient absorption spectroscopy. The experimental results are compared to Car-Parinello molecular dynamics (MD simulations. The 2D-IR measurements and MD simulations of the non-degenerate asymmetric stretch vibrations of nitrate reveal an intermodal energy exchange occurring on a 0.2 ps time scale related to hydrogen bond fluctuations. The transient absorption measurements find that the nitrate ions rotate in 2 ps. The MD simulations indicate that the ion rotation is associated with the formation of new hydrogen bonds. The 2 ps rotation time thus indicates that the hydration shell of aqueous nitrate is rather labile.

Reduction of the Glauber amplitude for electron impact rotational excitation of quadrupolar molecular ions

International Nuclear Information System (INIS)

Mathur, K.C.; Gupta, G.P.; Pundir, R.S.

1981-06-01

A reduction of the Glauber amplitude for the rotational excitation of pure quadrupolar molecular ions by electron impact is presented in a form suitable for numerical evaluation. The differential cross-section is expressed in terms of one dimensional integrals over impact parameter. (author)

Asymptotic behaviour of optimal fraction-rational series of the perturbation theory at description of molecular rotational spectra

International Nuclear Information System (INIS)

Burenin, A.V.

1994-01-01

A possibility is shown of substantial expansion of the choice of asymptotic behaviour of optimal fraction-rational series of the perturbation theory on description of molecular rotational spectra. The expansion permits to hope for substantial improvement of results of using the conception of effective rotational hamiltonian in a fraction-rational form on the description of highly perturbed vibrational states

Revisiting the ADT mass of the five-dimensional rotating black holes with squashed horizons

Energy Technology Data Exchange (ETDEWEB)

Peng, Jun-Jin [Guizhou Normal University, Guizhou Provincial Key Laboratory of Radio Astronomy and Data Processing, Guiyang (China)

2017-10-15

We evaluate the Abbott-Deser-Tekin (ADT) mass of the five-dimensional rotating black holes with squashed horizons on two different on-shell reference backgrounds, which are the flat background and the boundary matched Kaluza-Klein (KK) monopole. The mass on the former, identified with the one on the background of the asymptotic geometry, differs from the mass on the latter by that of the KK monopole. However, each mass satisfies the first law of black hole thermodynamics. To test the results in five dimensions, we compute the mass in the context of the dimensionally reduced theory. Finally, in contrast with the original ADT formulation, its off-shell generalisation is applied to calculate the mass as well. (orig.)

Revisiting the ADT mass of the five-dimensional rotating black holes with squashed horizons

International Nuclear Information System (INIS)

Peng, Jun-Jin

2017-01-01

We evaluate the Abbott-Deser-Tekin (ADT) mass of the five-dimensional rotating black holes with squashed horizons on two different on-shell reference backgrounds, which are the flat background and the boundary matched Kaluza-Klein (KK) monopole. The mass on the former, identified with the one on the background of the asymptotic geometry, differs from the mass on the latter by that of the KK monopole. However, each mass satisfies the first law of black hole thermodynamics. To test the results in five dimensions, we compute the mass in the context of the dimensionally reduced theory. Finally, in contrast with the original ADT formulation, its off-shell generalisation is applied to calculate the mass as well. (orig.)

Revisiting the ADT mass of the five-dimensional rotating black holes with squashed horizons

Science.gov (United States)

Peng, Jun-Jin

2017-10-01

We evaluate the Abbott-Deser-Tekin (ADT) mass of the five-dimensional rotating black holes with squashed horizons on two different on-shell reference backgrounds, which are the flat background and the boundary matched Kaluza-Klein (KK) monopole. The mass on the former, identified with the one on the background of the asymptotic geometry, differs from the mass on the latter by that of the KK monopole. However, each mass satisfies the first law of black hole thermodynamics. To test the results in five dimensions, we compute the mass in the context of the dimensionally reduced theory. Finally, in contrast with the original ADT formulation, its off-shell generalisation is applied to calculate the mass as well.

The slow ionized wind and rotating disklike system that are associated with the high-mass young stellar object G345.4938+01.4677

Energy Technology Data Exchange (ETDEWEB)

Guzmán, Andrés E.; Garay, Guido; Bronfman, Leonardo; Mardones, Diego [Departamento de Astronomía, Universidad de Chile, Camino el Observatorio 1515, Las Condes, Santiago (Chile); Rodríguez, Luis F. [Centro de Radioastronomía y Astrofísica (UNAM), Morelia 58089 (Mexico); Moran, James [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA (United States); Brooks, Kate J. [CSIRO Astronomy and Space Science, P.O. Box 76, Epping, 1710 NSW (Australia); Nyman, Lars-Åke [Joint ALMA Observatory (JAO), Alonso de Córdova 3107, Vitacura, Santiago (Chile); Sanhueza, Patricio [Institute for Astrophysical Research, Boston University, Boston, MA 02215 (United States)

2014-12-01

We report the detection, made using ALMA, of the 92 GHz continuum and hydrogen recombination lines (HRLs) H40α, H42α, and H50β emission toward the ionized wind associated with the high-mass young stellar object G345.4938+01.4677. This is the luminous central dominating source located in the massive and dense molecular clump associated with IRAS 16562–3959. The HRLs exhibit Voigt profiles, which is a strong signature of Stark broadening. We successfully reproduce the observed continuum and HRLs simultaneously using a simple model of a slow ionized wind in local thermodynamic equilibrium, with no need for a high-velocity component. The Lorentzian line wings imply electron densities of 5 × 10{sup 7} cm{sup –3} on average. In addition, we detect SO and SO{sub 2} emission arising from a compact (∼3000 AU) molecular core associated with the central young star. The molecular core exhibits a velocity gradient that is perpendicular to the jet-axis, which we interpret as evidence of rotation. The set of observations toward G345.4938+01.4677 are consistent with it being a young high-mass star associated with a slow photo-ionized wind.

Dynamics of molecular rotors confined in two dimensions: transition from a 2D rotational glass to a 2D rotational fluid in a periodic mesoporous organosilica.

Science.gov (United States)

Vogelsberg, Cortnie S; Bracco, Silvia; Beretta, Mario; Comotti, Angiolina; Sozzani, Piero; Garcia-Garibay, Miguel A

2012-02-09

The motional behavior of p-phenylene-d(4) rotators confined within the 2D layers of a hierarchically ordered periodic mesoporous p-divinylbenzenesilica has been elucidated to evaluate the effects of reduced dimensionality on the engineered dynamics of artificial molecular machines. The hybrid mesoporous material, characterized by a honeycomb lattice structure, has arrays of alternating p-divinylbenzene rotors and siloxane layers forming the molecularly ordered walls of the mesoscopic channels. The p-divinylbenzene rotors are strongly anchored between two adjacent siloxane sheets, so that the p-phenylene rotators are unable to experience translational diffusion and are allowed to rotate about only one fixed axis. Variable-temperature (2)H NMR experiments revealed that the p-phenylene rotators undergo an exchange process between sites related by 180° and a non-Arrhenius temperature dependence of the dynamics, with reorientational rates ranging from 10(3) to 10(8) Hz between 215 to 305 K. The regime of motion changes rapidly at about 280 K indicating the occurrence of a dynamical transition. The transition was also recognized by a steep change in the heat capacity at constant pressure. As a result of the robust lamellar architecture comprising the pore walls, the orientational dynamic disorder related to the phase transition is only realized in two dimensions within the layers, that is in the plane perpendicular to the channel axis. Thus, the aligned rotors that form the organic layers exhibit unique anisotropic dynamical properties as a result of the architecture's reduced dimensionality. The dynamical disorder restricted to two dimensions constitutes a highly mobile fluidlike rotational phase at room temperature, which upon cooling undergoes a transition to a more rigid glasslike phase. Activation energies of 5.9 and 9.5 kcal/mol respectively have been measured for the two dynamical regimes of rotation. Collectively, our investigation has led to the discovery of an

Phenotyping polyclonal kappa and lambda light chain molecular mass distributions in patient serum using mass spectrometry.

Science.gov (United States)

Barnidge, David R; Dasari, Surendra; Ramirez-Alvarado, Marina; Fontan, Adrian; Willrich, Maria A V; Tschumper, Renee C; Jelinek, Diane F; Snyder, Melissa R; Dispenzieri, Angela; Katzmann, Jerry A; Murray, David L

2014-11-07

We previously described a microLC-ESI-Q-TOF MS method for identifying monoclonal immunoglobulins in serum and then tracking them over time using their accurate molecular mass. Here we demonstrate how the same methodology can be used to identify and characterize polyclonal immunoglobulins in serum. We establish that two molecular mass distributions observed by microLC-ESI-Q-TOF MS are from polyclonal kappa and lambda light chains using a combination of theoretical molecular masses from gene sequence data and the analysis of commercially available purified polyclonal IgG kappa and IgG lambda from normal human serum. A linear regression comparison of kappa/lambda ratios for 74 serum samples (25 hypergammaglobulinemia, 24 hypogammaglobulinemia, 25 normal) determined by microflowLC-ESI-Q-TOF MS and immunonephelometry had a slope of 1.37 and a correlation coefficient of 0.639. In addition to providing kappa/lambda ratios, the same microLC-ESI-Q-TOF MS analysis can determine the molecular mass for oligoclonal light chains observed above the polyclonal background in patient samples. In 2 patients with immune disorders and hypergammaglobulinemia, we observed a skewed polyclonal molecular mass distribution which translated into biased kappa/lambda ratios. Mass spectrometry provides a rapid and simple way to combine the polyclonal kappa/lambda light chain abundance ratios with the identification of dominant monoclonal as well as oligoclonal light chain immunoglobulins. We anticipate that this approach to evaluating immunoglobulin light chains will lead to improved understanding of immune deficiencies, autoimmune diseases, and antibody responses.

CHROMOSPHERIC MASS MOTIONS AND INTRINSIC SUNSPOT ROTATIONS FOR NOAA ACTIVE REGIONS 10484, 10486, AND 10488 USING ISOON DATA

International Nuclear Information System (INIS)

Hardersen, Paul S.; Balasubramaniam, K. S.; Shkolyar, Svetlana

2013-01-01

This work utilizes Improved Solar Observing Optical Network continuum (630.2 nm) and Hα (656.2 nm) data to: (1) detect and measure intrinsic sunspot rotations occurring in the photosphere and chromosphere, (2) identify and measure chromospheric filament mass motions, and (3) assess any large-scale photospheric and chromospheric mass couplings. Significant results from 2003 October 27-29, using the techniques of Brown et al., indicate significant counter-rotation between the two large sunspots in NOAA AR 10486 on October 29, as well as discrete filament mass motions in NOAA AR 10484 on October 27 that appear to be associated with at least one C-class solar flare

Velocity structure of protostellar envelopes: gravitational collapse and rotation

International Nuclear Information System (INIS)

Belloche, Arnaud

2002-01-01

Stars form from the gravitational collapse of pre-stellar condensations in molecular clouds. The major aim of this thesis is to compare the predictions of collapse models with observations of both very young (class 0) protostars and starless condensations in millimeter molecular lines. We wish to understand what determines the masses of forming stars and whether the initial conditions have an effect on the dynamical evolution of a condensation. Using a Monte-Carlo radiative transfer code, we analyze rotation and infall spectroscopic signatures to study the velocity structure of a sample of protostellar condensations. We show that the envelope of the class 0 protostar IRAM 04191 in the Taurus molecular cloud is undergoing both extended, subsonic infall and fast, differential rotation. We propose that the inner part of the envelope is a magnetically supercritical core in the process of decoupling from the ambient cloud still supported by the magnetic field. We suggest that the kinematical properties observed for IRAM 04191 are representative of the physical conditions characterizing isolated protostars shortly after point mass formation. On the other hand, a similar study for the pre-stellar condensations of the Rho Ophiuchi proto-cluster yields mass accretion rates that are an order of magnitude higher than in IRAM 04191. This suggests that individual protostellar collapse in clusters is induced by external disturbances. Moreover, we show that the condensations do not have time to orbit significantly through the proto-cluster gas before evolving into protostars and pre-main-sequence stars. This seems inconsistent with models which resort to dynamical interactions and competitive accretion to build up a mass spectrum comparable to the stellar initial mass function. We conclude that protostellar collapse is nearly spontaneous in regions of isolated star formation such as the Taurus cloud but probably strongly induced in proto-clusters. (author) [fr

Magnetohydrodynamic Models of Molecular Tornadoes

Science.gov (United States)

Au, Kelvin; Fiege, Jason D.

2017-07-01

Recent observations near the Galactic Center (GC) have found several molecular filaments displaying striking helically wound morphology that are collectively known as molecular tornadoes. We investigate the equilibrium structure of these molecular tornadoes by formulating a magnetohydrodynamic model of a rotating, helically magnetized filament. A special analytical solution is derived where centrifugal forces balance exactly with toroidal magnetic stress. From the physics of torsional Alfvén waves we derive a constraint that links the toroidal flux-to-mass ratio and the pitch angle of the helical field to the rotation laws, which we find to be an important component in describing the molecular tornado structure. The models are compared to the Ostriker solution for isothermal, nonmagnetic, nonrotating filaments. We find that neither the analytic model nor the Alfvén wave model suffer from the unphysical density inversions noted by other authors. A Monte Carlo exploration of our parameter space is constrained by observational measurements of the Pigtail Molecular Cloud, the Double Helix Nebula, and the GC Molecular Tornado. Observable properties such as the velocity dispersion, filament radius, linear mass, and surface pressure can be used to derive three dimensionless constraints for our dimensionless models of these three objects. A virial analysis of these constrained models is studied for these three molecular tornadoes. We find that self-gravity is relatively unimportant, whereas magnetic fields and external pressure play a dominant role in the confinement and equilibrium radial structure of these objects.

Magnetohydrodynamic Models of Molecular Tornadoes

Energy Technology Data Exchange (ETDEWEB)

Au, Kelvin; Fiege, Jason D., E-mail: fiege@physics.umanitoba.ca [Department of Physics and Astronomy, University of Manitoba Winnipeg, MB R3T 2N2 (Canada)

2017-07-10

Recent observations near the Galactic Center (GC) have found several molecular filaments displaying striking helically wound morphology that are collectively known as molecular tornadoes. We investigate the equilibrium structure of these molecular tornadoes by formulating a magnetohydrodynamic model of a rotating, helically magnetized filament. A special analytical solution is derived where centrifugal forces balance exactly with toroidal magnetic stress. From the physics of torsional Alfvén waves we derive a constraint that links the toroidal flux-to-mass ratio and the pitch angle of the helical field to the rotation laws, which we find to be an important component in describing the molecular tornado structure. The models are compared to the Ostriker solution for isothermal, nonmagnetic, nonrotating filaments. We find that neither the analytic model nor the Alfvén wave model suffer from the unphysical density inversions noted by other authors. A Monte Carlo exploration of our parameter space is constrained by observational measurements of the Pigtail Molecular Cloud, the Double Helix Nebula, and the GC Molecular Tornado. Observable properties such as the velocity dispersion, filament radius, linear mass, and surface pressure can be used to derive three dimensionless constraints for our dimensionless models of these three objects. A virial analysis of these constrained models is studied for these three molecular tornadoes. We find that self-gravity is relatively unimportant, whereas magnetic fields and external pressure play a dominant role in the confinement and equilibrium radial structure of these objects.

On the mass of rotating stars in Newtonian gravity and GR

International Nuclear Information System (INIS)

Reina, Borja; Vera, Raül

2016-01-01

We show how the correction to the calculation of the mass in the original relativistic model of a rotating star by Hartle (1967 Astrophys. J. 150 1005–29), found recently by Reina and Vera (2015 Class. Quantum Grav. 32 155008), appears in the Newtonian limit, and that the correcting term is indeed present, albeit hidden, in the original Newtonian approach by Chandrasekhar (1933 Mon. Not. Roy. Astr. Soc. 93 390–406). (note)

Rotational Laser Cooling of Vibrationally and Translationally Cold Molecular Ions

DEFF Research Database (Denmark)

Drewsen, Michael

2011-01-01

[7,8,9]. Furthermore, in order to learn more about the chemistry in interstellar clouds, astrochemists can benefit greatly from direct measurements on cold reactions in laboratories [9]. Working with MgH+ molecular ions in a linear Paul trap, we routinely cool their translational degree of freedom...... by sympathetic cooling with Doppler laser cooled Mg+ ions. Giving the time for the molecules to equilibrate internally to the room temperature blackbody radiation, the vibrational degree of freedom will freeze out, leaving only the rotational degree of freedom to be cooled. We report here on the implementation...... results imply that, through this technique, cold molecular-ion experiments can now be carried out at cryogenic temperatures in room-temperature set-ups. References [1] Koelemeij, J. C. J., Roth, B., Wicht, A., Ernsting, I. and Schiller, S., Phys. Rev. Lett. 98, 173002 (2007). [2] Hudson, J. J., Sauer, B...

Double rotation NMR studies of zeolites and aluminophosphate molecular sieves

Energy Technology Data Exchange (ETDEWEB)

Jelinek, Raz [Univ. of California, Berkeley, CA (United States)

1993-07-01

Goal is to study the organization and structures of guest atoms and molecules and their reactions on internal surfaces within pores of zeolites and aluminophosphate molecular sieves. ²⁷Al and ²³Na double rotation NMR (DOR) is used since it removes the anisotropic broadening in NMR spectra of quadrupolar nuclei, thus increasing resolution. This work concentrates on probing aluminum framework atoms in aluminophosphate molecular sieves and sodium extra framework cations in porous aluminosilicates. In aluminophosphates, ordering and electronic environments of the framework ²⁷Al nuclei are modified upon adsorption of water molecules within the channels; a relation is sought between the sieve channel topology and the organization of adsorbed water, as well as the interaction between the Al nuclei and the water molecules. Extra framework Na⁺ cations are directly involved in adsorption processes and reactions in zeolite cavities.

General physical characteristics of the interstellar molecular gas

International Nuclear Information System (INIS)

Turner, B.E.

1979-01-01

The interstellar medium may be characterized by several physically rather distinct regimes: coronal gas, intercloud gas, diffuse clouds, isolated dark clouds and globules (of small to modest mass), more massive molecular clouds containing OB (and later) stars, and giant molecular clouds. Values of temperature, density, ionization fraction, mass, size, and velocity field are discussed for each regime. Heating and cooling mechanisms are reviewed. Nearly all molecular clouds exceed the Jeans criteria for gravitational instability, yet detailed models reveal no cases where observations can be interpreted unambiguously in terms of rapid collapse. The possibility that clouds are supported by turbulence, rotation, or magnetic fields is discussed, and it is concluded that none of these agencies suffice. Comments are made about fragmentation and star formation in molecular clouds, with possible explanations for why only low mass stars form in low mass clouds, why early-type stars form only in clouds with masses > approximately 10 3 M solar masses, and why O-stars seem to form near edges of clouds. Finally, large-scale interactions between molecular clouds and the galactic disk stellar population are discussed. (Auth.)

PRECISION PHOTOMETRIC MONITORING OF VERY LOW MASS σ ORIONIS CLUSTER MEMBERS: VARIABILITY AND ROTATION AT A FEW Myr

International Nuclear Information System (INIS)

Cody, Ann Marie; Hillenbrand, Lynne A.

2010-01-01

We present high-precision photometry on 107 variable low-mass stars and brown dwarfs in the ∼3 Myr σ Orionis open cluster. We have carried out I-band photometric monitoring within two fields, encompassing 153 confirmed or candidate members of the low-mass cluster population, from 0.02 to 0.5 M sun . We are sensitive to brightness changes on timescales from 10 minutes to two weeks with amplitudes as low as 0.004 mag, and find variability on these timescales in nearly 70% of cluster members. We identify both periodic and aperiodic modes of variability, as well as semi-periodic rapid fading events that are not accounted for by the standard explanations of rotational modulation of surface features or accretion. We have incorporated both optical and infrared color data to uncover trends in variability with mass and circumstellar disks. While the data confirm that the lowest-mass objects (M sun ) rotate more rapidly than the 0.2-0.5 M sun members, they do not support a direct connection between rotation rate and the presence of a disk. Finally, we speculate on the origin of irregular variability in cluster members with no evidence for disks or accretion.

Co-Seismic Mass Dislocation and its Effect on Earth's Rotation and Gravity

Science.gov (United States)

Chao, B. F.; Gross, R. S.

2002-01-01

Mantle processes often involve large-scale mass transport, ranging from mantle convection, tectonic motions, glacial isostatic adjustment, to tides, atmospheric and oceanic loadings, volcanism and seismicity. On very short time scale of less than an hour, co-seismic event, apart from the shaking that is the earthquake, leaves behind permanent (step-function-like) dislocations in the crust and mantle. This redistribution of mass changes the Earth's inertia tensor (and hence Earth's rotation in both length-of-day and polar motion), and the gravity field (in terms of spherical harmonic Stokes coefficients). The question is whether these effects are large enough to be of any significance. In this paper we report updated calculation results based on Chao & Gross (1987). The calculation uses the normal mode summation scheme, applied to nearly twenty thousand major earthquakes that occurred during 1976-2002, according to source mechanism solutions given by the Harvard Central Moment Tensor catalog. Compared to the truly large ones earlier in the century, the earthquakes we study are individually all too small to have left any discernible signature in geodetic records of Earth rotation or global gravity field. However, their collective effects continue to exhibit an extremely strong statistical tendencies. For example, earthquakes conspire to decrease J2 and J22 while shortening LOD, resulting in a rounder and more compact Earth. Strong tendency is also seen in the earthquakes trying to nudge the Earth rotation pole towards approximately 140 degrees E, roughly opposite to the observed polar drift direction. The geophysical significance and implications will be further studied.

EFFECTS OF ROTATIONALLY INDUCED MIXING IN COMPACT BINARY SYSTEMS WITH LOW-MASS SECONDARIES AND IN SINGLE SOLAR-TYPE STARS

International Nuclear Information System (INIS)

Chatzopoulos, E.; Robinson, Edward L.; Wheeler, J. Craig

2012-01-01

Many population synthesis and stellar evolution studies have addressed the evolution of close binary systems in which the primary is a compact remnant and the secondary is filling its Roche lobe, thus triggering mass transfer. Although tidal locking is expected in such systems, most studies have neglected the rotationally induced mixing that may occur. Here we study the possible effects of mixing in mass-losing stars for a range of secondary star masses and metallicities. We find that tidal locking can induce rotational mixing prior to contact and thus affect the evolution of the secondary star if the effects of the Spruit-Tayler dynamo are included both for angular momentum and chemical transport. Once contact is made, the effect of mass transfer tends to be more rapid than the evolutionary timescale, so the effects of mixing are no longer directly important, but the mass-transfer strips matter to inner layers that may have been affected by the mixing. These effects are enhanced for secondaries of 1-1.2 M ☉ and for lower metallicities. We discuss the possible implications for the paucity of carbon in the secondaries of the cataclysmic variable SS Cyg and the black hole candidate XTE J1118+480 and for the progenitor evolution of Type Ia supernovae. We also address the issue of the origin of blue straggler stars in globular and open clusters. We find that for models that include rotation consistent with that observed for some blue straggler stars, evolution is chemically homogeneous. This leads to tracks in the H-R diagram that are brighter and bluer than the non-rotating main-sequence turn-off point. Rotational mixing could thus be one of the factors that contribute to the formation of blue stragglers.

The formation of molecular hydrogen on silicate dust analogs: The rotational distribution

Energy Technology Data Exchange (ETDEWEB)

Gavilan, L.; Lemaire, J. L. [LERMA, UMR 8112 du CNRS, de l' Observatoire de Paris et de l' Université de Cergy Pontoise, 5 mail Gay Lussac, F-95000 Cergy Pontoise Cedex (France); Vidali, G. [Visiting Professor. Permanent address: Syracuse University, Physics Department, Syracuse, NY 13244-1320, USA. (United States); Sabri, T.; Jæger, C., E-mail: lisseth.gavilan@obspm.fr [Laboratory Astrophysics and Cluster Physics Group of the Max Planck Institute for Astronomy at the Friedrich Schiller University Jena (Germany)

2014-02-01

Our laboratory experiments continue to explore how the formation of molecular hydrogen is influenced by dust and how dust thereby affects hydrogen molecules adsorbed on its surface. In Sabri et al., we present the preparation of nanometer-sized silicate grain analogs via laser ablation. These analogs illustrate extremes in structure (fully crystalline or fully amorphous grains), and stoichiometry (the forsterite and fayalite end-members of the olivine family). These were inserted in FORMOLISM, an ultra-high vacuum setup where they can be cooled down to ∼5 K. Atomic beams are directed at these surfaces and the formation of new molecules is studied via REMPI(2+1) spectroscopy. We explored the rotational distribution (0 ≤ J'' ≤ 5) of v'' = 0 of the ground electronic state of H{sub 2}. The results of these measurements are reported here. Surprisingly, molecules formed and ejected from crystalline silicates have a cold (T {sub rot} ∼ 120 K) rotational energy distribution, while for molecules formed on and ejected from amorphous silicate films, the rotational temperature is ∼310 K. These results are compared to previous experiments on metallic surfaces and theoretical simulations. Solid-state surface analysis suggests that flatter grains could hinder the 'cartwheel' rotation mode. A search for hot hydrogen, predicted as a result of H{sub 2} formation, hints at its production. For the first time, the rotational distribution of hydrogen molecules formed on silicate dust is reported. These results are essential to understanding the chemistry of astrophysical media containing bare dust grains.

Dynamic Effects of the Earth's Rotation Caused by the Annual and Semi-Annual Cyclic Mass Redistribution of the Planet

Directory of Open Access Journals (Sweden)

M. Yu. Barkin

2016-01-01

Full Text Available The paper deals with development of the theory of perturbed rotational motion of a celestial body with variable geometry of the masses. Its main task is to study the impact of annual and semi-annual variations of the Earth's mass geometry (a component of its inertia tensor, as well as a component of its relative angular momentum, on the movement of the Earth's poles and its axial rotation. The body is considered to be a free (isolated, and the problem formulation corresponds to the classical Liouville problem on rotation of a variable body. Euler conical movement of the axially symmetric body with an arbitrary constant half-angle  is assumed as the unperturbed motion. In the classical theory of the Earth's rotation this angle is usually assumed to be zero.In the last 20 years, accuracy to determine the Earth rotation parameters owing to using methods of space geodesy and method of Very Long Baseline Interferometry (VLBI has increased by about three orders of magnitude and has made about  i.e., in angle measure it is about 10 - 20 arc-microseconds. According to experts, the theory of the Earth's rotation with such precision is not created yet. The paper is focused just on the new dynamic studies of the Earth rotation at a higher level of accuracy than has been done in previous studies, using a new approach to the problem, based on the new forms of the equations of motion (in the Andoyer variables and the analytical methods of perturbation theory (small parameter method.The problem of perturbed rotational motion with variable geometry and variable mass relative angular momentum in the first approximation is solved in Andoyer variables and projections of the angular velocity of the planet rotation. The analytical solution allows us to run applications to study dynamic effects from above factors for various bodies in the solar system, including the Earth. The solution allowed us to obtain the following parameters of the fundamental effects in the

On the study of rotational effects in mass asymmetric colliding nuclei at intermediate energies

Science.gov (United States)

Kaur, Kamaldeep; Kumar, Suneel

2018-05-01

The rotational dynamics has been studied for different mass asymmetric systems 49122In + 50126Sn, 48114Cs + 54134In, 40100Mo + 64148Gd, 3686Kr + 67162Ho, 3171Ga + 71177Lu, 2860Ni + 76188Os and 2450Cr + 78198 Pt for incident energies between 40 MeV/nucleon and 400 MeV/nucleon for impact parameter range 0.25 free protons have been compared successfully with IQMD model calculations. The rotational flow of free protons with increasing incident energies and elliptic flow (calculated from the fits of azimuthal distributions of free protons) dependence with energy has also been investigated.

ALMA view of a massive spheroid progenitor: a compact rotating core of molecular gas in an AGN host at z = 2.226

Science.gov (United States)

Talia, M.; Pozzi, F.; Vallini, L.; Cimatti, A.; Cassata, P.; Fraternali, F.; Brusa, M.; Daddi, E.; Delvecchio, I.; Ibar, E.; Liuzzo, E.; Vignali, C.; Massardi, M.; Zamorani, G.; Gruppioni, C.; Renzini, A.; Mignoli, M.; Pozzetti, L.; Rodighiero, G.

2018-05-01

We present ALMA observations at 107.291 GHz (band 3) and 214.532 GHz (band 6) of GMASS 0953, a star-forming galaxy at z = 2.226 hosting an obscured active galactic nucleus (AGN) that has been proposed as a progenitor of compact quiescent galaxies (QGs). We measure for the first time the size of the dust and molecular gas emission of GMASS 0953 that we find to be extremely compact (˜1 kpc). This result, coupled with a very high interstellar medium (ISM) density (n ˜ 105.5 cm-3), a low gas mass fraction (˜0.2), and a short gas depletion time-scale (˜150 Myr), implies that GMASS 0953 is experiencing an episode of intense star formation in its central region that will rapidly exhaust its gas reservoirs, likely aided by AGN-induced feedback, confirming its fate as a compact QG. Kinematic analysis of the CO(6-5) line shows evidence of rapidly rotating gas (Vrot = 320^{+92}_{-53} km s-1), as observed also in a handful of similar sources at the same redshift. On-going quenching mechanisms could either destroy the rotation or leave it intact leading the galaxy to evolve into a rotating QG.

Dynamic characterization, monitoring and control of rotating flexible beam-mass structures via piezo-embedded techniques

Science.gov (United States)

Lai, Steven H.-Y.

1992-01-01

A variational principle and a finite element discretization technique were used to derive the dynamic equations for a high speed rotating flexible beam-mass system embedded with piezo-electric materials. The dynamic equation thus obtained allows the development of finite element models which accommodate both the original structural element and the piezoelectric element. The solutions of finite element models provide system dynamics needed to design a sensing system. The characterization of gyroscopic effect and damping capacity of smart rotating devices are addressed. Several simulation examples are presented to validate the analytical solution.

Molecular engineering problems in heat and mass transfer

International Nuclear Information System (INIS)

Kotake, S.

1991-01-01

As for developing, manufacturing and applying new materials of advanced functions such as high-performance devices and high-temperature materials, fundamental understanding of the phenomena from the standpoint of molecular and atomic levels has been required. In these problems, the processes of heat and mass transfer play an important role, being one of the rate-controlling factors. But the energy levels associated with heat and mass transfer are of the orders much less than those of chemical reaction, and it is not easy to understand the thermal problems on the molecular and atomic basis. This paper views the processes of heat and mass transfer from the dynamical motions of atom and molecule for thermal engineering problems. Especially, problems are considered of heat conduction in fine-ceramics, sintered materials of high heat conductivity or high heat-insulation, phase change of condensation in vapor deposition processes such as CVD and PVD, and radiation in laser processing

Predicting superdeformed rotational band-head spin in A ∼ 190 mass region using variable moment of inertia model

International Nuclear Information System (INIS)

Uma, V.S.; Goel, Alpana; Yadav, Archana; Jain, A.K.

2016-01-01

The band-head spin (I 0 ) of superdeformed (SD) rotational bands in A ∼ 190 mass region is predicted using the variable moment of inertia (VMI) model for 66 SD rotational bands. The superdeformed rotational bands exhibited considerably good rotational property and rigid behaviour. The transition energies were dependent on the prescribed band-head spins. The ratio of transition energies over spin Eγ/ 2 I (RTEOS) vs. angular momentum (I) have confirmed the rigid behaviour, provided the band-head spin value is assigned correctly. There is a good agreement between the calculated and the observed transition energies. This method gives a very comprehensive interpretation for spin assignment of SD rotational bands which could help in designing future experiments for SD bands. (author)

Co-Seismic Mass Displacement and its Effect on Earth's Rotation and Gravity

Science.gov (United States)

Chao, B. F.; Gross, R. S.

2004-01-01

Mantle processes often involve large-scale mass transport, ranging from mantle convection, tectonic motions, glacial isostatic adjustment, to tides, atmospheric and oceanic loadings, volcanism and seismicity. On very short time scale of less than an hour, co-seismic event, apart from the "shaking" that is the earthquake, leaves behind permanent (step-function-like) displacements in the crust and mantle. This redistribution of mass changes the Earth's inertia tensor (and hence Earth's rotation in both length-of-day and polar motion), and the gravity field. The question is whether these effects are large enough to be of any significance. In this paper we report updated calculation results based on Chao & Gross. The calculation uses the normal mode summation scheme, applied to over twenty thousand major earthquakes that occurred during 1976-2002, according to source mechanism solutions given by the Harvard Centroid Moment Tensor catalog. Compared to the truly large ones earlier in the century, the earthquakes we study are individually all too small to have left any discernible signature in geodetic records of Earth rotation or global gravity field. However, their collective effects continue to exhibit an extremely strong statistical tendencies, conspiring to decrease J2 and J22 while shortening LOD, resulting in a rounder and more compact Earth. Strong tendency is also seen in the earthquakes trying to "nudge" the Earth rotation pole towards approx. 140 deg.E, roughly opposite to the observed polar drift direction. Currently, the Gravity Recovery And Climate Experiment (GRACE) is measuring the time-variable gravity to high degree and order with unprecedented accuracy. Our results show that great earthquakes such as the 1960 Chilean or 1964 Alaskan events cause gravitational field changes that are large enough to be detected by GRACE.

Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.

Science.gov (United States)

Jin, Mingoo; Chung, Tim S; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A

2017-12-13

Here we present a structural design aimed at the control of phosphorescence emission as the result of changes in molecular rotation in a crystalline material. The proposed strategy includes the use of aurophilic interactions, both as a crystal engineering tool and as a sensitive emission probe, and the use of a dumbbell-shaped architecture intended to create a low packing density region that permits the rotation of a central phenylene. Molecular rotor 1, with a central 1,4-diethynylphenylene rotator linked to two gold(I) triphenylphosphane complexes, was prepared and its structure confirmed by single-crystal X-ray diffraction, which revealed chains mediated by dimeric aurophilic interactions. We showed that green-emitting crystals exhibit reversible luminescent color changes between 298 and 193 K, which correlate with changes in rotational motion determined by variable-temperature solid-state 2 H NMR spin-echo experiments. Fast two-fold rotation with a frequency of ca. 4.00 MHz (τ = 0.25 μs) at 298 K becomes essentially static below 193 K as emission steadily changes from green to yellow in this temperature interval. A correlation between phosphorescence lifetimes and rotational frequencies is interpreted in terms of conformational changes arising from rotation of the central phenylene, which causes a change in electronic communication between the gold-linked rotors, as suggested by DFT studies. These results and control experiments with analogue 2, possessing a hindered tetramethylphenylene that is unable to rotate in the crystal, suggest that the molecular rotation can be a useful tool for controlling luminescence in the crystalline state.

Mass transport thermodynamics in nonisothermal molecular liquid mixtures

Energy Technology Data Exchange (ETDEWEB)

Semenov, Semen N [Institute for Biochemical Physics, Russian Academy of Sciences, Moscow (Russian Federation); Schimpf, M E [Department of Chemistry and Biochemistry, Boise State University, Boise, ID (United States)

2009-10-31

Mass transport in a nonisothermal binary molecular mixture is systematically discussed in terms of nonequilibrium thermodynamics, which for the first time allows a consistent and unambiguous description of the process. The thermodynamic and hydrodynamic approaches are compared, revealing that nonequilibrium thermodynamics and physicochemical hydrodynamics yield essentially the same results for molecular systems. The applicability limits for the proposed version of the thermodynamic approach are determined for large particles. (methodological notes)

Measuring Atmospheric Abundances and Rotation of a Brown Dwarf with a Measured Mass and Radius

Science.gov (United States)

Birkby, Jayne

2015-08-01

There are no cool brown dwarfs with both a well-characterized atmosphere and a measured mass and radius. LHS 6343, a brown dwarf transiting one member of an M+M binary in the Kepler field, provides the first opportunity to tie theoretical atmospheric models to the observed brown dwarf mass-radius diagram. We propose four half-nights of observations with NIRSPAO in 2015B to measure spectral features in LHS 6343 C by detecting the relative motions of absorption features during the system's orbit. In addition to abundances, we will directly measure the brown dwarf's projected rotational velocity and mass.

Detection of irradiated food by the changes in protein molecular mass distribution

International Nuclear Information System (INIS)

Niciforovic, A.; Radojcic, M.; Milosavljevic, B.H.

1998-01-01

Complete text of publication follows. The present work deals with the radiation-induced damage of proteins, which is followed by the change in the molecular mass. The phenomenon was studied on protein rich samples, i.e., chicken meat and dehydrated egg white. The radiation dose applied was in the range of the ones used for food microbial control. Chicken drumstick and chicken white meat proteins were separated according to their molecular mass. The protein profile was compared to the meat samples irradiated in the frozen state with 5 kGy at 60 Co source. In the case of chicken white meat, irradiation produces both nonselective protein scission (e.g. the amount of proteins of molecular mass larger than 30 kDa decreases, while the amount of proteins of molecular mass smaller than 30 kDa increases), and selective protein scission (e.g. appearance of a protein fragment of molecular mass equal to 18 kDa). In the case of chicken drumstick proteins the irradiation induces both the protein scission and the aggregation. The changes are nonspecific as well as specific and the generation of Mm = 18 kDa protein fragment was observed again. Irradiation of aerated dehydrated egg white proteins produces only nonselective protein scission. The results are discussed in view of the routine application of SDS-PAGE method for the detection of irradiated foodstuff

Rotational excitation of linear triatomic molecules: Ar, Kr + N2O, CO2

International Nuclear Information System (INIS)

Farrar, J.M.; Parson, J.M.; Lee, Y.T.

1974-01-01

Rotational excitation of N 2 O and CO 2 in collisions with Ar and Kr has been studied by crossing two supersonic molecular beams and detecting scattered products with a mass spectrometer. Measurement of the time of flight spectrum of the products as a function of laboratory scattering angle theta indicates that the inelasticity is concentrated in the forward direction in the center of mass system. Difference between CO 2 and N 2 O are discussed briefly

Direct molecular mass determination of trehalose monomycolate from 11 species of mycobacteria by MALDI-TOF mass spectrometry.

Science.gov (United States)

Fujita, Yukiko; Naka, Takashi; Doi, Takeshi; Yano, Ikuya

2005-05-01

Direct estimation of the molecular mass of single molecular species of trehalose 6-monomycolate (TMM), a ubiquitous cell-wall component of mycobacteria, was performed by matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF) mass spectrometry. When less than 1 microg TMM was analysed by MALDI-TOF mass spectrometry, quasimolecular ions [M+Na]+ of each molecular species were demonstrated and the numbers of carbons and double bonds (or cyclopropane rings) were determined. Since the introduction of oxygen atoms such as carbonyl, methoxy and ester groups yielded the appropriate shift of mass ions, the major subclasses of mycolic acid (alpha, methoxy, keto and wax ester) were identified without resorting to hydrolytic procedures. The results showed a marked difference in the molecular species composition of TMM among mycobacterial species. Unexpectedly, differing from other mycoloyl glycolipids, TMM from Mycobacterium tuberculosis showed a distinctive mass pattern, with abundant odd-carbon-numbered monocyclopropanoic (or monoenoic) alpha-mycolates besides dicyclopropanoic mycolate, ranging from C75 to C85, odd- and even-carbon-numbered methoxymycolates ranging from C83 to C94 and even- and odd-carbon-numbered ketomycolates ranging from C83 to C90. In contrast, TMM from Mycobacterium bovis (wild strain and BCG substrains) possessed even-carbon-numbered dicyclopropanoic alpha-mycolates. BCG Connaught strain lacked methoxymycolates almost completely. These results were confirmed by MALDI-TOF mass analysis of mycolic acid methyl esters liberated by alkaline hydrolysis and methylation of the original TMM. Wax ester-mycoloyl TMM molecular species were demonstrated for the first time as an intact form in the Mycobacterium avium-intracellulare group, M. phlei and M. flavescens. The M. avium-intracellulare group possessed predominantly C85 and C87 wax ester-mycoloyl TMM, while M. phlei and the rapid growers tested contained C80, C81, C82 and C83 wax ester

An algorithm for mass matrix calculation of internally constrained molecular geometries

International Nuclear Information System (INIS)

Aryanpour, Masoud; Dhanda, Abhishek; Pitsch, Heinz

2008-01-01

Dynamic models for molecular systems require the determination of corresponding mass matrix. For constrained geometries, these computations are often not trivial but need special considerations. Here, assembling the mass matrix of internally constrained molecular structures is formulated as an optimization problem. Analytical expressions are derived for the solution of the different possible cases depending on the rank of the constraint matrix. Geometrical interpretations are further used to enhance the solution concept. As an application, we evaluate the mass matrix for a constrained molecule undergoing an electron-transfer reaction. The preexponential factor for this reaction is computed based on the harmonic model

An algorithm for mass matrix calculation of internally constrained molecular geometries.

Science.gov (United States)

Aryanpour, Masoud; Dhanda, Abhishek; Pitsch, Heinz

2008-01-28

Dynamic models for molecular systems require the determination of corresponding mass matrix. For constrained geometries, these computations are often not trivial but need special considerations. Here, assembling the mass matrix of internally constrained molecular structures is formulated as an optimization problem. Analytical expressions are derived for the solution of the different possible cases depending on the rank of the constraint matrix. Geometrical interpretations are further used to enhance the solution concept. As an application, we evaluate the mass matrix for a constrained molecule undergoing an electron-transfer reaction. The preexponential factor for this reaction is computed based on the harmonic model.

Chemical reaction effects on unsteady MHD free convective flow in a rotating porous medium with mass transfer

Directory of Open Access Journals (Sweden)

Govindarajan Arunachalam

2014-01-01

Full Text Available An investigation of unsteady MHD free convective flow and mass transfer during the motion of a viscous incompressible fluid through a porous medium, bounded by an infinite vertical porous surface, in a rotating system is presented. The porous plane surface and the porous medium are assumed to rotate in a solid body rotation. The vertical surface is subjected to uniform constant suction perpendicular to it and the temperature at this surface fluctuates in time about a non-zero constant mean. Analytical expressions for the velocity, temperature and concentration fields are obtained using the perturbation technique. The effects of R (rotation parameter, k0 (permeability parameter, M (Hartmann number and w (frequency parameter on the flow characteristics are discussed. It is observed that the primary velocity component decreases with the increase in either of the rotation parameter R, the permeability parameter k0, or the Hartmann number M. It is also noted that the primary skin friction increases whenever there is an increase in the Grashof number Gr or the modified Grashof number Gm. It is clear that the heat transfer coefficient in terms of the Nusselt number decreases in the case of both air and water when there is an increase in the Hartmann number M. It is observed that the magnitude of the secondary velocity profiles increases whenever there is an increase in either of the Grashof number or the modified Grashof number for mass transfer or the permeability of the porous media. Concentration profiles decreases with an increase in the Schmidt number.

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

Science.gov (United States)

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.

Internal rotation of 13 low-mass low-luminosity red giants in the Kepler field

Science.gov (United States)

Triana, S. A.; Corsaro, E.; De Ridder, J.; Bonanno, A.; Pérez Hernández, F.; García, R. A.

2017-06-01

Context. The Kepler space telescope has provided time series of red giants of such unprecedented quality that a detailed asteroseismic analysis becomes possible. For a limited set of about a dozen red giants, the observed oscillation frequencies obtained by peak-bagging together with the most recent pulsation codes allowed us to reliably determine the core/envelope rotation ratio. The results so far show that the current models are unable to reproduce the rotation ratios, predicting higher values than what is observed and thus indicating that an efficient angular momentum transport mechanism should be at work. Here we provide an asteroseismic analysis of a sample of 13 low-luminosity low-mass red giant stars observed by Kepler during its first nominal mission. These targets form a subsample of the 19 red giants studied previously, which not only have a large number of extracted oscillation frequencies, but also unambiguous mode identifications. Aims: We aim to extend the sample of red giants for which internal rotation ratios obtained by theoretical modeling of peak-bagged frequencies are available. We also derive the rotation ratios using different methods, and compare the results of these methods with each other. Methods: We built seismic models using a grid search combined with a Nelder-Mead simplex algorithm and obtained rotation averages employing Bayesian inference and inversion methods. We compared these averages with those obtained using a previously developed model-independent method. Results: We find that the cores of the red giants in this sample are rotating 5 to 10 times faster than their envelopes, which is consistent with earlier results. The rotation rates computed from the different methods show good agreement for some targets, while some discrepancies exist for others.

WISDOM Project - III. Molecular gas measurement of the supermassive black hole mass in the barred lenticular galaxy NGC4429

Science.gov (United States)

Davis, Timothy A.; Bureau, Martin; Onishi, Kyoko; van de Voort, Freeke; Cappellari, Michele; Iguchi, Satoru; Liu, Lijie; North, Eve V.; Sarzi, Marc; Smith, Mark D.

2018-01-01

As part of the mm-Wave Interferometric Survey of Dark Object Masses project we present an estimate of the mass of the supermassive black hole (SMBH) in the nearby fast-rotating early-type galaxy NGC4429, that is barred and has a boxy/peanut-shaped bulge. This estimate is based on Atacama Large Millimeter/submillimeter Array (ALMA) cycle-2 observations of the 12CO(3-2) emission line with a linear resolution of ≈13 pc (0.18 arcsec × 0.14 arcsec). NGC4429 has a relaxed, flocculent nuclear disc of molecular gas that is truncated at small radii, likely due to the combined effects of gas stability and tidal shear. The warm/dense 12CO(3-2) emitting gas is confined to the inner parts of this disc, likely again because the gas becomes more stable at larger radii, preventing star formation. The gas disc has a low velocity dispersion of 2.2^{+0.68}_{-0.65} km s-1. Despite the inner truncation of the gas disc, we are able to model the kinematics of the gas and estimate a mass of (1.5 ± 0.1^{+0.15}_{-0.35}) × 108 M⊙ for the SMBH in NGC4429 (where the quoted uncertainties reflect the random and systematic uncertainties, respectively), consistent with a previous upper limit set using ionized gas kinematics. We confirm that the V-band mass-to-light ratio changes by ≈30 per cent within the inner 400 pc of NGC4429, as suggested by other authors. This SMBH mass measurement based on molecular gas kinematics, the sixth presented in the literature, once again demonstrates the power of ALMA to constrain SMBH masses.

TRIMS: Validating T2 Molecular Effects for Neutrino Mass Experiments

Science.gov (United States)

Lin, Ying-Ting; Trims Collaboration

2017-09-01

The Tritium Recoil-Ion Mass Spectrometer (TRIMS) experiment examines the branching ratio of the molecular tritium (T2) beta decay to the bound state (3HeT+). Measuring this branching ratio helps to validate the current molecular final-state theory applied in neutrino mass experiments such as KATRIN and Project 8. TRIMS consists of a magnet-guided time-of-flight mass spectrometer with a detector located on each end. By measuring the kinetic energy and time-of-flight difference of the ions and beta particles reaching the detectors, we will be able to distinguish molecular ions from atomic ones and hence derive the ratio in question. We will give an update on the apparatus, simulation software, and analysis tools, including efforts to improve the resolution of our detectors and to characterize the stability and uniformity of our field sources. We will also share our commissioning results and prospects for physics data. The TRIMS experiment is supported by U.S. Department of Energy Office of Science, Office of Nuclear Physics, Award Number DE-FG02-97ER41020.

Black hole mass measurement using molecular gas kinematics: what ALMA can do

Science.gov (United States)

Yoon, Ilsang

2017-04-01

We study the limits of the spatial and velocity resolution of radio interferometry to infer the mass of supermassive black holes (SMBHs) in galactic centres using the kinematics of circum-nuclear molecular gas, by considering the shapes of the galaxy surface brightness profile, signal-to-noise ratios (S/Ns) of the position-velocity diagram (PVD) and systematic errors due to the spatial and velocity structure of the molecular gas. We argue that for fixed galaxy stellar mass and SMBH mass, the spatial and velocity scales that need to be resolved increase and decrease, respectively, with decreasing Sérsic index of the galaxy surface brightness profile. We validate our arguments using simulated PVDs for varying beam size and velocity channel width. Furthermore, we consider the systematic effects on the inference of the SMBH mass by simulating PVDs including the spatial and velocity structure of the molecular gas, which demonstrates that their impacts are not significant for a PVD with good S/N unless the spatial and velocity scale associated with the systematic effects are comparable to or larger than the angular resolution and velocity channel width of the PVD from pure circular motion. Also, we caution that a bias in a galaxy surface brightness profile owing to the poor resolution of a galaxy photometric image can largely bias the SMBH mass by an order of magnitude. This study shows the promise and the limits of ALMA observations for measuring SMBH mass using molecular gas kinematics and provides a useful technical justification for an ALMA proposal with the science goal of measuring SMBH mass.

The ATLAS3D project - XX. Mass-size and mass-σ distributions of early-type galaxies: bulge fraction drives kinematics, mass-to-light ratio, molecular gas fraction and stellar initial mass function

Science.gov (United States)

Cappellari, Michele; McDermid, Richard M.; Alatalo, Katherine; Blitz, Leo; Bois, Maxime; Bournaud, Frédéric; Bureau, M.; Crocker, Alison F.; Davies, Roger L.; Davis, Timothy A.; de Zeeuw, P. T.; Duc, Pierre-Alain; Emsellem, Eric; Khochfar, Sadegh; Krajnović, Davor; Kuntschner, Harald; Morganti, Raffaella; Naab, Thorsten; Oosterloo, Tom; Sarzi, Marc; Scott, Nicholas; Serra, Paolo; Weijmans, Anne-Marie; Young, Lisa M.

2013-07-01

In the companion Paper XV of this series, we derive accurate total mass-to-light ratios (M/L)_JAM≈ (M/L)({r}= {R_e}) within a sphere of radius r= {R_e} centred on the galaxy, as well as stellar (M/L)stars (with the dark matter removed) for the volume-limited and nearly mass-selected (stellar mass M_star ≳ 6× 10^9 { M_{⊙}}) ATLAS3D sample of 260 early-type galaxies (ETGs, ellipticals Es and lenticulars S0s). Here, we use those parameters to study the two orthogonal projections ({M_JAM}, {σ _e}) and ({M_JAM}, {R_e^maj}) of the thin Mass Plane (MP) ({M_JAM}, {σ _e}, {R_e^maj}) which describes the distribution of the galaxy population, where {M_JAM}≡ L× (M/L)_JAM≈ M_star. The distribution of galaxy properties on both projections of the MP is characterized by: (i) the same zone of exclusion (ZOE), which can be transformed from one projection to the other using the scalar virial equation. The ZOE is roughly described by two power laws, joined by a break at a characteristic mass {M_JAM}≈ 3× 10^{10} { M_{⊙}}, which corresponds to the minimum Re and maximum stellar density. This results in a break in the mean {M_JAM}-{σ _e} relation with trends {M_JAM}∝ σ _e^{2.3} and {M_JAM}∝ σ _e^{4.7} at small and large σe, respectively; (ii) a characteristic mass {M_JAM}≈ 2× 10^{11} { M_{⊙}} which separates a population dominated by flat fast rotator with discs and spiral galaxies at lower masses, from one dominated by quite round slow rotators at larger masses; (iii) below that mass the distribution of ETGs' properties on the two projections of the MP tends to be constant along lines of roughly constant σe, or equivalently along lines with {R_e^maj}∝ {M_JAM}, respectively (or even better parallel to the ZOE: {R_e^maj}∝ M_JAM^{0.75}); (iv) it forms a continuous and parallel sequence with the distribution of spiral galaxies; (v) at even lower masses, the distribution of fast-rotator ETGs and late spirals naturally extends to that of dwarf ETGs (Sph

SPARC: MASS MODELS FOR 175 DISK GALAXIES WITH SPITZER PHOTOMETRY AND ACCURATE ROTATION CURVES

Energy Technology Data Exchange (ETDEWEB)

Lelli, Federico; McGaugh, Stacy S. [Department of Astronomy, Case Western Reserve University, Cleveland, OH 44106 (United States); Schombert, James M., E-mail: federico.lelli@case.edu [Department of Physics, University of Oregon, Eugene, OR 97403 (United States)

2016-12-01

We introduce SPARC ( Spitzer Photometry and Accurate Rotation Curves): a sample of 175 nearby galaxies with new surface photometry at 3.6  μ m and high-quality rotation curves from previous H i/H α studies. SPARC spans a broad range of morphologies (S0 to Irr), luminosities (∼5 dex), and surface brightnesses (∼4 dex). We derive [3.6] surface photometry and study structural relations of stellar and gas disks. We find that both the stellar mass–H i mass relation and the stellar radius–H i radius relation have significant intrinsic scatter, while the H i   mass–radius relation is extremely tight. We build detailed mass models and quantify the ratio of baryonic to observed velocity ( V {sub bar}/ V {sub obs}) for different characteristic radii and values of the stellar mass-to-light ratio (ϒ{sub ⋆}) at [3.6]. Assuming ϒ{sub ⋆} ≃ 0.5 M {sub ⊙}/ L {sub ⊙} (as suggested by stellar population models), we find that (i) the gas fraction linearly correlates with total luminosity; (ii) the transition from star-dominated to gas-dominated galaxies roughly corresponds to the transition from spiral galaxies to dwarf irregulars, in line with density wave theory; and (iii)  V {sub bar}/ V {sub obs} varies with luminosity and surface brightness: high-mass, high-surface-brightness galaxies are nearly maximal, while low-mass, low-surface-brightness galaxies are submaximal. These basic properties are lost for low values of ϒ{sub ⋆} ≃ 0.2 M {sub ⊙}/ L {sub ⊙} as suggested by the DiskMass survey. The mean maximum-disk limit in bright galaxies is ϒ{sub ⋆} ≃ 0.7 M {sub ⊙}/ L {sub ⊙} at [3.6]. The SPARC data are publicly available and represent an ideal test bed for models of galaxy formation.

Cocoa content influences chocolate molecular profile investigated by MALDI-TOF mass spectrometry.

Science.gov (United States)

Bonatto, Cínthia C; Silva, Luciano P

2015-06-01

Chocolate authentication is a key aspect of quality control and safety. Matrix-assisted laser desorption ionization time-of flight (MALDI-TOF) mass spectrometry (MS) has been demonstrated to be useful for molecular profiling of cells, tissues, and even food. The present study evaluated if MALDI-TOF MS analysis on low molecular mass profile may classify chocolate samples according to the cocoa content. The molecular profiles of seven processed commercial chocolate samples were compared by using MALDI-TOF MS. Some ions detected exclusively in chocolate samples corresponded to the metabolites of cocoa or other constituents. This method showed the presence of three distinct clusters according to confectionery and sensorial features of the chocolates and was used to establish a mass spectra database. Also, novel chocolate samples were evaluated in order to check the validity of the method and to challenge the database created with the mass spectra of the primary samples. Thus, the method was shown to be reliable for clustering unknown samples into the main chocolate categories. Simple sample preparation of the MALDI-TOF MS approach described will allow the surveillance and monitoring of constituents during the molecular profiling of chocolates. © 2014 Society of Chemical Industry.

Translational and rotational diffusion of dilute solid amorphous spherical nanocolloids by molecular dynamics simulation

Science.gov (United States)

Heyes, D. M.; Nuevo, M. J.; Morales, J. J.

Following on from our previous study (Heyes, D. M., Nuevo, M. J, and Morales, J. J., 1996, Molec. Phys., 88, 1503), molecular dynamics simulations have been carried out of translational and rotational diffusion of atomistically rough near-spherical solid Lennard-Jones (LJ) clusters immersed in a Weeks-Chandler-Andersen liquid solvent. A single cluster consisting of up to about 100LJ particles as part of an 8000 atom fluid system was considered in each case. The translational and rotational diffusion coefficients decrease with increasing cluster size and solvent density (roughly in proportion to the molar volume of the solvent). The simulations reveal that for clusters in excess of about 30LJ atoms there is a clear separation of timescales between angular velocity and orientation relaxation which adhere well to the small-step diffusion model encapsulated in Hubbard's relationship. For 100 atom clusters both the StokesEinstein (translation) and Stokes-Einstein-Debye (rotation) equations apply approximately. The small departures from these reference solutions indicate that the translational relaxation experiences a local viscosity in excess of the bulk value (typically by ~ 30%), whereas rotational relaxation experiences a smaller viscosity than the bulk (typically by ~ 30%) reasonably in accord with the Gierer-Wirtz model. Both of these observations are consistent with an observed layering of the liquid molecules next to the cluster observed in our previous study.

A new scaling for the rotational diffusion of molecular probes in polymer solutions.

Science.gov (United States)

Qing, Jing; Chen, Anpu; Zhao, Nanrong

2017-12-13

In the present work, we propose a new scaling form for the rotational diffusion coefficient of molecular probes in semi-dilute polymer solutions, based on a theoretical study. The mean-field theory for depletion effect and semi-empirical scaling equation for the macroscopic viscosity of polymer solutions are properly incorporated to specify the space-dependent concentration and viscosity profiles in the vicinity of the probe surface. Following the scheme of classical fluid mechanics, we numerically evaluate the shear torque exerted on the probes, which then allows us to further calculate the rotational diffusion coefficient D r . Particular attention is given to the scaling behavior of the retardation factor R rot ≡ D/D r with D being the diffusion coefficient in pure solvent. We find that R rot has little relevance to the macroscopic viscosity of the polymer solution, while it can be well featured by the characteristic length scale r h /δ, i.e. the ratio between the hydrodynamic radius of the probe r h and the depletion thickness δ. Correspondingly, we obtain a novel scaling form for the rotational retardation factor, following R rot = exp[a(r h /δ) b ] with rather robust parameters of a ≃ 0.51 and b ≃ 0.56. We apply the theory to an extensive calculation for various probes in specific polymer solutions of poly(ethylene glycol) (PEG) and dextran. Our theoretical results show good agreements with the experimental data, and clearly demonstrate the validity of the new scaling form. In addition, the difference of the scaling behavior between translational and rotational diffusions is clarified, from which we conclude that the depletion effect plays a more significant role on the local rotational diffusion rather than the long-range translation diffusion.

The influence of starch molecular mass on the properties of extruded thermoplastic starch

NARCIS (Netherlands)

Vliegenthart, J.F.G.; Soest, J.J.G. van; Benes, K.; Wit, D. de

1996-01-01

The mechanical properties of a low and a high molecular mass thermoplastic starch (TPS) were monitored at water contents in the range of 5–30% (w/w). The granular starches were plasticized by extrusion processing with glycerol and water. The low molecular mass starch was prepared by partial acid

Thermophoretic torque in colloidal particles with mass asymmetry

Science.gov (United States)

Olarte-Plata, Juan; Rubi, J. Miguel; Bresme, Fernando

2018-05-01

We investigate the response of anisotropic colloids suspended in a fluid under a thermal field. Using nonequilibrium molecular dynamics computer simulations and nonequilibrium thermodynamics theory, we show that an anisotropic mass distribution inside the colloid rectifies the rotational Brownian motion and the colloids experience transient torques that orient the colloid along the direction of the thermal field. This physical effect gives rise to distinctive changes in the dependence of the Soret coefficient with colloid mass, which features a maximum, unlike the monotonic increase of the thermophoretic force with mass observed in homogeneous colloids.

Dynamical heterogeneities of rotational motion in room temperature ionic liquids evidenced by molecular dynamics simulations

Science.gov (United States)

Usui, Kota; Hunger, Johannes; Bonn, Mischa; Sulpizi, Marialore

2018-05-01

Room temperature ionic liquids (RTILs) have been shown to exhibit spatial heterogeneity or structural heterogeneity in the sense that they form hydrophobic and ionic domains. Yet studies of the relationship between this structural heterogeneity and the ˜picosecond motion of the molecular constituents remain limited. In order to obtain insight into the time scales relevant to this structural heterogeneity, we perform molecular dynamics simulations of a series of RTILs. To investigate the relationship between the structures, i.e., the presence of hydrophobic and ionic domains, and the dynamics, we gradually increase the size of the hydrophobic part of the cation from ethylammonium nitrate (EAN), via propylammonium nitrate (PAN), to butylammonium nitrate (BAN). The two ends of the organic cation, namely, the charged Nhead-H group and the hydrophobic Ctail-H group, exhibit rotational dynamics on different time scales, evidencing dynamical heterogeneity. The dynamics of the Nhead-H group is slower because of the strong coulombic interaction with the nitrate counter-ionic anions, while the dynamics of the Ctail-H group is faster because of the weaker van der Waals interaction with the surrounding atoms. In particular, the rotation of the Nhead-H group slows down with increasing cationic chain length, while the rotation of the Ctail-H group shows little dependence on the cationic chain length, manifesting that the dynamical heterogeneity is enhanced with a longer cationic chain. The slowdown of the Nhead-H group with increasing cationic chain length is associated with a lower number of nitrate anions near the Nhead-H group, which presumably results in the increase of the energy barrier for the rotation. The sensitivity of the Nhead-H rotation to the number of surrounding nitrate anions, in conjunction with the varying number of nitrate anions, gives rise to a broad distribution of Nhead-H reorientation times. Our results suggest that the asymmetry of the cations and the

Piezoelectric sensors based on molecular imprinted polymers for detection of low molecular mass analytes.

Science.gov (United States)

Uludağ, Yildiz; Piletsky, Sergey A; Turner, Anthony P F; Cooper, Matthew A

2007-11-01

Biomimetic recognition elements employed for the detection of analytes are commonly based on proteinaceous affibodies, immunoglobulins, single-chain and single-domain antibody fragments or aptamers. The alternative supra-molecular approach using a molecularly imprinted polymer now has proven utility in numerous applications ranging from liquid chromatography to bioassays. Despite inherent advantages compared with biochemical/biological recognition (which include robustness, storage endurance and lower costs) there are few contributions that describe quantitative analytical applications of molecularly imprinted polymers for relevant small molecular mass compounds in real-world samples. There is, however, significant literature describing the use of low-power, portable piezoelectric transducers to detect analytes in environmental monitoring and other application areas. Here we review the combination of molecularly imprinted polymers as recognition elements with piezoelectric biosensors for quantitative detection of small molecules. Analytes are classified by type and sample matrix presentation and various molecularly imprinted polymer synthetic fabrication strategies are also reviewed.

Molecular rotations and diffusion in solids, in particular hydrogen in metals

International Nuclear Information System (INIS)

Springer, T.

1977-01-01

The chapter deals mainly with problems related to physical chemistry. The author treats diffusion in solids, in particular of hydrogen in metals, and studies of molecular rotations, in particular studies of tunneling transitions which is a relatively new and rapidly developing field of high resolution neutron spectroscopy. Typical neutron spectra to be discussed appear in energy ranges of a few 10 -6 to a few 10 -3 eV, or 10 -5 to 10 -2 cm -1 . The discussion is restricted to scattering from the protons which is predominantly incoherent. This means that only the motions, or excitations, of individual protons or protonic groups are discussed, ignoring collective excitations and interference. (HPOE) [de

Newer methods for the characterization of higher molecular mass coal derivatives

International Nuclear Information System (INIS)

Bartle, K.D.

1983-01-01

Recent developments in a number of areas in the analytical chemistry of higher molecular mass coal derivatives are critically reviewed, viz. supercritical fluid chromatography, size-exclusion chromatography, charge-transfer fractionation, nmr spectroscopy, mass spectrometry and electrochemical analysis. (orig.) [de

The low internal rotation barriers of halogenated toluenes: Rotational spectrum of 2,4-difluorotoluene

Science.gov (United States)

Nair, K. P. Rajappan; Herbers, Sven; Obenchain, Daniel A.; Grabow, Jens-Uwe; Lesarri, Alberto

2018-02-01

The rotational spectrum of 2,4-difluorotoluene in the region 5-25 GHz 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 threefold (V3) potential barrier hindering the internal rotation of the methyl top was determined as 2.80144 (82) kJ/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 electric dipole moment μ = 1.805(42) D was obtained from Stark effect measurements. The molecular structure was derived using the substitution (rs) method. Supporting ab initio (MP2) calculations provided comparative values for the potential barrier and molecular parameters.

TIME-SERIES PHOTOMETRY OF STARS IN AND AROUND THE LAGOON NEBULA. I. ROTATION PERIODS OF 290 LOW-MASS PRE-MAIN-SEQUENCE STARS IN NGC 6530

International Nuclear Information System (INIS)

Henderson, Calen B.; Stassun, Keivan G.

2012-01-01

We have conducted a long-term, wide-field, high-cadence photometric monitoring survey of ∼50,000 stars in the Lagoon Nebula H II region. This first paper presents rotation periods for 290 low-mass stars in NGC 6530, the young cluster illuminating the nebula, and for which we assemble a catalog of infrared and spectroscopic disk indicators, estimated masses and ages, and X-ray luminosities. The distribution of rotation periods we measure is broadly uniform for 0.5 days X /L bol ≈ –3.3). However, we find a significant positive correlation between L X /L bol and corotation radius, suggesting that the observed X-ray luminosities are regulated by centrifugal stripping of the stellar coronae. The period-mass relationship in NGC 6530 is broadly similar to that of the Orion Nebula Cluster (ONC), but the slope of the relationship among the slowest rotators differs from that in the ONC and other young clusters. We show that the slope of the period-mass relationship for the slowest rotators can be used as a proxy for the age of a young cluster, and we argue that NGC 6530 may be slightly younger than the ONC, making it a particularly important touchstone for models of angular momentum evolution in young, low-mass stars.

Effects of suspended particles on the rate of mass transfer to a rotating disk electrode. [Ferric cyanide

Energy Technology Data Exchange (ETDEWEB)

Roha, D.J.

1981-06-01

Limiting currents for the reduction of ferric cyanide at a rotating disk were determined in the presence of 0 to 40 percent by volume of spherical glass beads. Experiments were conducted with six different particle diameters, and with rotation speeds in the range of 387 to 270 rpm, usong both a 0.56 cm and a 1.41 cm radius disk electrode. It was established that at a given rpm upon addition of glass beads in the limiting current, i/sub L/, may increase to more than three times its value without solids. This increase in limiting current density is greater at high rotation speeds and with the larger disk electrode. i/sub L/ as a function of particle diameter yields at maximum at approx. 10 ..mu..m. Two mass transfer models are offered to explain this behavior, both of which assume that the beads are in contact with the disk electrode and moving parallel to its surface. In the surface renewal model it is assumed that complete mixing takes place with the passage of each bead and the boundary layer is replaced with fresh bulk solution. While with the particle film model it is assumed the bead and a clinging film of fluid rotate together. The film promotes mass transfer by alternately absorbing and desorbing the diffusing species. The particle film model best explains the observed behavior of the limiting current density. Calculations of stirring power required verses i/sub L/ observed, show that adding beads to increase i/sub L/ consumes less additional power than simply increasing the rotation speed alone and even permits a decrease in the amount of stirring energy required per unit reactant consumed, at limiting current conditions.

Subset of Kappa and Lambda Germline Sequences Result in Light Chains with a Higher Molecular Mass Phenotype.

Science.gov (United States)

Barnidge, David R; Lundström, Susanna L; Zhang, Bo; Dasari, Surendra; Murray, David L; Zubarev, Roman A

2015-12-04

In our previous work, we showed that electrospray ionization of intact polyclonal kappa and lambda light chains isolated from normal serum generates two distinct, Gaussian-shaped, molecular mass distributions representing the light-chain repertoire. During the analysis of a large (>100) patient sample set, we noticed a low-intensity molecular mass distribution with a mean of approximately 24 250 Da, roughly 800 Da higher than the mean of the typical kappa molecular-mass distribution mean of 23 450 Da. We also observed distinct clones in this region that did not appear to contain any typical post-translational modifications that would account for such a large mass shift. To determine the origin of the high molecular mass clones, we performed de novo bottom-up mass spectrometry on a purified IgM monoclonal light chain that had a calculated molecular mass of 24 275.03 Da. The entire sequence of the monoclonal light chain was determined using multienzyme digestion and de novo sequence-alignment software and was found to belong to the germline allele IGKV2-30. The alignment of kappa germline sequences revealed ten IGKV2 and one IGKV4 sequences that contained additional amino acids in their CDR1 region, creating the high-molecular-mass phenotype. We also performed an alignment of lambda germline sequences, which showed additional amino acids in the CDR2 region, and the FR3 region of functional germline sequences that result in a high-molecular-mass phenotype. The work presented here illustrates the ability of mass spectrometry to provide information on the diversity of light-chain molecular mass phenotypes in circulation, which reflects the germline sequences selected by the immunoglobulin-secreting B-cell population.

Coherent spin-rotational dynamics of oxygen superrotors

Science.gov (United States)

Milner, Alexander A.; Korobenko, Aleksey; Milner, Valery

2014-09-01

We use state- and time-resolved coherent Raman spectroscopy to study the rotational dynamics of oxygen molecules in ultra-high rotational states. While it is possible to reach rotational quantum numbers up to N≈ 50 by increasing the gas temperature to 1500 K, low population levels and gas densities result in correspondingly weak optical response. By spinning {{O}2} molecules with an optical centrifuge, we efficiently excite extreme rotational states with N≤slant 109 in high-density room temperature ensembles. Fast molecular rotation results in the enhanced robustness of the created rotational wave packets against collisions, enabling us to observe the effects of weak spin-rotation coupling in the coherent rotational dynamics of oxygen. The decay rate of spin-rotational coherence due to collisions is measured as a function of the molecular angular momentum and its dependence on the collisional adiabaticity parameter is discussed. We find that at high values of N, the rotational decoherence of oxygen is much faster than that of the previously studied non-magnetic nitrogen molecules, pointing at the effects of spin relaxation in paramagnetic gases.

Magnetic Inflation and Stellar Mass. II. On the Radii of Single, Rapidly Rotating, Fully Convective M-Dwarf Stars

Science.gov (United States)

Kesseli, Aurora Y.; Muirhead, Philip S.; Mann, Andrew W.; Mace, Greg

2018-06-01

Main-sequence, fully convective M dwarfs in eclipsing binaries are observed to be larger than stellar evolutionary models predict by as much as 10%–15%. A proposed explanation for this discrepancy involves effects from strong magnetic fields, induced by rapid rotation via the dynamo process. Although, a handful of single, slowly rotating M dwarfs with radius measurements from interferometry also appear to be larger than models predict, suggesting that rotation or binarity specifically may not be the sole cause of the discrepancy. We test whether single, rapidly rotating, fully convective stars are also larger than expected by measuring their R\\sin i distribution. We combine photometric rotation periods from the literature with rotational broadening (v\\sin i) measurements reported in this work for a sample of 88 rapidly rotating M dwarf stars. Using a Bayesian framework, we find that stellar evolutionary models underestimate the radii by 10 % {--}15{ % }-2.5+3, but that at higher masses (0.18 theory is 13%–18%, and we argue that the discrepancy is unlikely to be due to effects from age. Furthermore, we find no statistically significant radius discrepancy between our sample and the handful of M dwarfs with interferometric radii. We conclude that neither rotation nor binarity are responsible for the inflated radii of fully convective M dwarfs, and that all fully convective M dwarfs are larger than models predict.

Mass transfer studies in miniature Rotating Disc Contactor (RDC) with 30% TBP/nitric acid biphasic system

International Nuclear Information System (INIS)

Balasubramonian, S.; Sivakumar, D.; Kumar, Shekhar; Kamachi Mudali, U.

2014-01-01

The rotating disc contactor is the widely used liquid-liquid extraction equipment for its high throughput and efficiency. In this work mass transfer performance of the miniature RDC column for the 30% TBP/nitric acid biphasic system was studied in terms of the operating variables such as rotor speed and flow rate of the aqueous and organic phase. The RDC column used in the experiments was shown. The column shell is made up of thick glass having diameter of 10.5 cm and height 100 cm. The rotor diameter is 5.3 cm and stator opening diameter is 6.3 cm. Totally 25 number of rotor discs were welded in the rotating shaft. This shaft was aligned in such a way that each rotor was placed in the centre of the compartment formed in between the two stator rings. The experiments were carried out to study the effect of rotor speed and superficial velocity of the dispersed and continuous phase on mass transfer efficiency. The organic solvent was made as the continuous phase and O/A ratio was set as 4 in both the continuous to dispersed phase(c-d) and dispersed to continuous phase (d-c) mass transfer experiments. The Number of Transfer Units (NTU) was estimated based on the solvent phase. The graphical representation of NTU was shown. The NTU value was observed as 4 and 3 respectively for extraction and stripping at the combined through put of 60 L/h and the rotor speed of 1000 rpm. This corresponds to the Height of Transfer Unit (HTU) value of 15 cm and 20 cm respectively for d-c and c-d mass transfer. The estimated overall mass transfer coefficient was increasing with rotor speed and superficial velocity of the liquid phases. The overall mass transfer coefficient also increases with increase in hold up

The influence of extruded starch molecular mass on the properties of extruded thermoplastic starch

NARCIS (Netherlands)

Soest, van J.J.G.; Benes, K.; Wit, de D.; Vliegenthart, J.F.G.

1996-01-01

The mechanical properties of a low and a high molecular mass thermoplastic starch (TPS) were monitored at water contents in the range of 5-30% (w/w). The granular starches were plasticized by extrusion processing with glycerol and water. The low molecular mass starch was prepared by partial acid

Three dimensional rotating flow of Powell-Eyring nanofluid with non-Fourier's heat flux and non-Fick's mass flux theory

Science.gov (United States)

Ibrahim, Wubshet

2018-03-01

This article numerically examines three dimensional boundary layer flow of a rotating Powell-Eyring nanofluid. In modeling heat transfer processes, non-Fourier heat flux theory and for mass transfer non-Fick's mass flux theory are employed. This theory is recently re-initiated and it becomes the active research area to resolves some drawback associated with the famous Fourier heat flux and mass flux theory. The mathematical model of the flow problem is a system of non-linear partial differential equations which are obtained using the boundary layer analysis. The non-linear partial differential equations have been transformed into non-linear high order ordinary differential equations using similarity transformation. Employing bvp4c algorithm from matlab software routine, the numerical solution of the transformed ordinary differential equations is obtained. The governing equations are constrained by parameters such as rotation parameter λ , the non-Newtonian parameter N, dimensionless thermal relaxation and concentration relaxation parameters δt and δc . The impacts of these parameters have been discussed thoroughly and illustrated using graphs and tables. The findings show that thermal relaxation time δt reduces the thermal and concentration boundary layer thickness. Further, the results reveal that the rotational parameter λ has the effect of decreasing the velocity boundary layer thickness in both x and y directions. Further examination pinpoints that the skin friction coefficient along x-axis is an increasing and skin friction coefficient along y-axis is a decreasing function of rotation parameter λ . Furthermore, the non-Newtonian fluid parameter N has the characteristic of reducing the amount of local Nusselt numbers -f″ (0) and -g″ (0) both in x and y -directions.

Synchrotron based mass spectrometry to investigate the molecular properties of mineral-organic associations

Energy Technology Data Exchange (ETDEWEB)

Liu, Suet Yi; Kleber, Markus; Takahashi, Lynelle K.; Nico, Peter; Keiluweit, Marco; Ahmed, Musahid

2013-04-01

Soil organic matter (OM) is important because its decay drives life processes in the biosphere. Analysis of organic compounds in geological systems is difficult because of their intimate association with mineral surfaces. To date there is no procedure capable of quantitatively separating organic from mineral phases without creating artifacts or mass loss. Therefore, analytical techniques that can (a) generate information about both organic and mineral phases simultaneously and (b) allow the examination of predetermined high-interest regions of the sample as opposed to conventional bulk analytical techniques are valuable. Laser Desorption Synchrotron Postionization (synchrotron-LDPI) mass spectrometry is introduced as a novel analytical tool to characterize the molecular properties of organic compounds in mineral-organic samples from terrestrial systems, and it is demonstrated that when combined with Secondary Ion Mass Spectrometry (SIMS), can provide complementary information on mineral composition. Mass spectrometry along a decomposition gradient in density fractions, verifies the consistency of our results with bulk analytical techniques. We further demonstrate that by changing laser and photoionization energies, variations in molecular stability of organic compounds associated with mineral surfaces can be determined. The combination of synchrotron-LDPI and SIMS shows that the energetic conditions involved in desorption and ionization of organic matter may be a greater determinant of mass spectral signatures than the inherent molecular structure of the organic compounds investigated. The latter has implications for molecular models of natural organic matter that are based on mass spectrometric information.

ROTATION AND OUTFLOW MOTIONS IN THE VERY LOW-MASS CLASS 0 PROTOSTELLAR SYSTEM HH 211 AT SUBARCSECOND RESOLUTION

International Nuclear Information System (INIS)

Lee, C.-F.; Hirano, Naomi; Ho, Paul T. P.; Shang, Hsien; Palau, Aina; Bourke, Tyler L.; Zhang Qizhou

2009-01-01

HH 211 is a nearby young protostellar system with a highly collimated jet. We have mapped it in 352 GHz continuum, SiO (J = 8 - 7), and HCO + (J = 4 - 3) emission at up to ∼0.''2 resolution with the Submillimeter Array (SMA). The continuum source is now resolved into two sources, SMM1 and SMM2, with a separation of ∼ 84 AU. SMM1 is seen at the center of the jet, probably tracing a (inner) dusty disk around the protostar driving the jet. SMM2 is seen to the southwest of SMM1 and may trace an envelope-disk around a small binary companion. A flattened envelope-disk is seen in HCO + around SMM1 with a radius of ∼ 80 AU perpendicular to the jet axis. Its velocity structure is consistent with a rotation motion and can be fitted with a Keplerian law that yields a mass of ∼50 ± 15 M Jup (a mass of a brown dwarf) for the protostar. Thus, the protostar could be the lowest mass source known to have a collimated jet and a rotating flattened envelope-disk. A small-scale (∼200 AU) low-speed (∼2 km s -1 ) outflow is seen in HCO + around the jet axis extending from the envelope-disk. It seems to rotate in the same direction as the envelope-disk and may carry away part of the angular momentum from the envelope-disk. The jet is seen in SiO close to ∼100 AU from SMM1. It is seen with a 'C-shaped' bending. It has a transverse width of ∼ -1 . A possible velocity gradient is seen consistently across its innermost pair of knots, ∼0.5 km s -1 at ∼10 AU, consistent with the sense of rotation of the envelope-disk. If this gradient is an upper limit of the true rotational gradient of the jet, then the jet carries away a very small amount of angular momentum of ∼ -1 and thus must be launched from the very inner edge of the disk near the corotation radius.

observations of hot molecular gas emission from embedded low-mass protostars

DEFF Research Database (Denmark)

Visser, R.; Kristensen, L. E.; Bruderer, S.

2012-01-01

Aims. Young stars interact vigorously with their surroundings, as evident from the highly rotationally excited CO (up to Eu/k = 4000 K) and H2O emission (up to 600 K) detected by the Herschel Space Observatory in embedded low-mass protostars. Our aim is to construct a model that reproduces...... the observations quantitatively, to investigate the origin of the emission, and to use the lines as probes of the various heating mechanisms. Methods. The model consists of a spherical envelope with a power-law density structure and a bipolar outflow cavity. Three heating mechanisms are considered: passive heating...... such as luminosity and envelope mass. Results. The bulk of the gas in the envelope, heated by the protostellar luminosity, accounts for 3–10% of the CO luminosity summed over all rotational lines up to J = 40–39; it is best probed by low-J CO isotopologue lines such as C18O 2–1 and 3–2. The UV-heated gas and the C...

Off-Center Rotation of CuPc Molecular Rotor on a Bi(111) Surface and the Chiral Feature.

Science.gov (United States)

Sun, Kai; Tao, Min-Long; Tu, Yu-Bing; Wang, Jun-Zhong

2017-05-04

Molecular rotors with an off-center axis and the chiral feature of achiral CuPc molecules on a semi-metallic Bi(111) surface have been investigated by means of a scanning tunneling microscopy (STM) at liquid nitrogen (LN₂) temperature. The rotation axis of each CuPc molecular rotor is located at the end of a phthalocyanine group. As molecular coverage increases, the CuPc molecules are self-assembled into various nanoclusters and finally into two-dimensional (2D) domains, in which each CuPc molecule exhibits an apparent chiral feature. Such chiral features of the CuPc molecules can be attributed to the combined effect of asymmetric charge transfer between the CuPc and Bi(111) substrate, and the intermolecular van der Waals interactions.

A Stefan model for mass transfer in a rotating disk reaction vessel

KAUST Repository

BOHUN, C. S.

2015-05-04

Copyright © Cambridge University Press 2015. In this paper, we focus on the process of mass transfer in the rotating disk apparatus formulated as a Stefan problem with consideration given to both the hydrodynamics of the process and the specific chemical reactions occurring in the bulk. The wide range in the reaction rates of the underlying chemistry allows for a natural decoupling of the problem into a simplified set of weakly coupled convective-reaction-diffusion equations for the slowly reacting chemical species and a set of algebraic relations for the species that react rapidly. An analysis of the chemical equilibrium conditions identifies an expansion parameter and a reduced model that remains valid for arbitrarily large times. Numerical solutions of the model are compared to an asymptotic analysis revealing three distinct time scales and chemical diffusion boundary layer that lies completely inside the hydrodynamic layer. Formulated as a Stefan problem, the model generalizes the work of Levich (Levich and Spalding (1962) Physicochemical hydrodynamics, vol. 689, Prentice-Hall Englewood Cliffs, NJ) and will help better understand the natural limitations of the rotating disk reaction vessel when consideration is made for the reacting chemical species.

Zero-point vibrational effects on optical rotation

DEFF Research Database (Denmark)

Ruud, K.; Taylor, P.R.; Åstrand, P.-O.

2001-01-01

We investigate the effects of molecular vibrations on the optical rotation in two chiral molecules, methyloxirane and trans-2,3-dimethylthiirane. It is shown that the magnitude of zero-point vibrational corrections increases as the electronic contribution to the optical rotation increases....... Vibrational effects thus appear to be important for an overall estimate of the molecular optical rotation, amounting to about 20-30% of the electronic counterpart. We also investigate the special case of chirality introduced in a molecule through isotopic substitution. In this case, the zero-point vibrational...

SMA millimeter observations of hot molecular cores

Energy Technology Data Exchange (ETDEWEB)

Hernández-Hernández, Vicente; Zapata, Luis; Kurtz, Stan [Centro de Radioastronomía y Astrofísica, Universidad Nacional Autónoma de México, Apdo. Postal 3-72 (Xangari), 58090 Morelia, Michoacán (Mexico); Garay, Guido, E-mail: v.hernandez@crya.unam.mx [Departamento de Astronomía, Universidad de Chile, Camino del Observatorio 1515, Las Condes, Santiago (Chile)

2014-05-01

We present Submillimeter Array observations in the 1.3 mm continuum and the CH{sub 3}CN (12 {sub K}-11 {sub K}) line of 17 hot molecular cores associated with young high-mass stars. The angular resolution of the observations ranges from 1.''0 to 4.''0. The continuum observations reveal large (>3500 AU) dusty structures with gas masses from 7 to 375 M {sub ☉}, which probably surround multiple young stars. The CH{sub 3}CN line emission is detected toward all the molecular cores at least up to the K = 6 component and is mostly associated with the emission peaks of the dusty objects. We used the multiple K-components of the CH{sub 3}CN and both the rotational diagram method and a simultaneous synthetic local thermodynamic equilibrium model with the XCLASS program to estimate the temperatures and column densities of the cores. For all sources, we obtained reasonable fits from XCLASS by using a model that combines two components: an extended and warm envelope and a compact hot core of molecular gas, suggesting internal heating by recently formed massive stars. The rotational temperatures lie in the range of 40-132 K and 122-485 K for the extended and compact components, respectively. From the continuum and CH{sub 3}CN results, we infer fractional abundances from 10{sup –9} to 10{sup –7} toward the compact inner components, which increase with the rotational temperature. Our results agree with a chemical scenario in which the CH{sub 3}CN molecule is efficiently formed in the gas phase above 100-300 K, and its abundance increases with temperature.

[Correlation of molecular weight and nanofiltration mass transfer coefficient of phenolic acid composition from Salvia miltiorrhiza].

Science.gov (United States)

Li, Cun-Yu; Wu, Xin; Gu, Jia-Mei; Li, Hong-Yang; Peng, Guo-Ping

2018-04-01

Based on the molecular sieving and solution-diffusion effect in nanofiltration separation, the correlation between initial concentration and mass transfer coefficient of three typical phenolic acids from Salvia miltiorrhiza was fitted to analyze the relationship among mass transfer coefficient, molecular weight and concentration. The experiment showed a linear relationship between operation pressure and membrane flux. Meanwhile, the membrane flux was gradually decayed with the increase of solute concentration. On the basis of the molecular sieving and solution-diffusion effect, the mass transfer coefficient and initial concentration of three phenolic acids showed a power function relationship, and the regression coefficients were all greater than 0.9. The mass transfer coefficient and molecular weight of three phenolic acids were negatively correlated with each other, and the order from high to low is protocatechualdehyde >rosmarinic acid> salvianolic acid B. The separation mechanism of nanofiltration for phenolic acids was further clarified through the analysis of the correlation of molecular weight and nanofiltration mass transfer coefficient. The findings provide references for nanofiltration separation, especially for traditional Chinese medicine with phenolic acids. Copyright© by the Chinese Pharmaceutical Association.

Magnetic nanoparticles stimulation to enhance liquid-liquid two-phase mass transfer under static and rotating magnetic fields

Energy Technology Data Exchange (ETDEWEB)

Azimi, Neda; Rahimi, Masoud, E-mail: masoudrahimi@yahoo.com

2017-01-15

Rotating magnetic field (RMF) was applied on a micromixer to break the laminar flow and induce chaotic flow to enhance mass transfer between two-immiscible organic and aqueous phases. The results of RMF were compared to those of static magnetic field (SMF). For this purpose, experiments were carried out in a T-micromixer at equal volumetric flow rates of organic and aqueous phases. Fe{sub 3}O{sub 4} nanoparticles were synthesized by co-precipitation technique and they were dissolved in organic phase. Results obtained from RMF and SMF were compared in terms of overall volumetric mass transfer coefficient (K{sub L}a) and extraction efficiency (E) at various Reynolds numbers. Generally, RMF showed higher effect in mass transfer characteristics enhancement compared with SMF. The influence of rotational speeds of magnets (ω) in RMF was investigated, and measurable enhancements of K{sub L}a and E were observed. In RMF, the effect of magnetic field induction (B) was investigated. The results reveal that at constant concentration of nanoparticles, by increasing of B, mass transfer characteristics will be enhanced. The effect of various nanoparticles concentrations (ϕ) within 0.002–0.01 (w/v) on K{sub L}a and E at maximum induction of RMF (B=76 mT) was evaluated. Maximum values of K{sub L}a (2.1±0.001) and E (0.884±0.001) were achieved for the layout of RMF (B=76 mT), ω=16 rad/s and MNPs concentration of 0.008–0.01 (w/v). - Highlights: • Magnetic nanoparticles used for mixing of two immiscible liquids in a micromixer. • Extraction efficiency of rotating magnetic field (RMF) is compared with static one. • In RMF, the effect of the angular speed on KLa and E enhancement is reported. • In RMF, at a selected magnet distance effect of nanoparticle concentration is reported.

Cyclodextrin--piroxicam inclusion complexes: analyses by mass spectrometry and molecular modelling

Science.gov (United States)

Gallagher, Richard T.; Ball, Christopher P.; Gatehouse, Deborah R.; Gates, Paul J.; Lobell, Mario; Derrick, Peter J.

1997-11-01

Mass spectrometry has been used to investigate the natures of non-covalent complexes formed between the anti-inflammatory drug piroxicam and [alpha]-, [beta]- and [gamma]-cyclodextrins. Energies of these complexes have been calculated by means of molecular modelling. There is a correlation between peak intensities in the mass spectra and the calculated energies.

Photoionization mass spectrometric studies of selected compounds in a molecular beam

Energy Technology Data Exchange (ETDEWEB)

Trott, W.M.

1979-03-01

Photoionization efficiency curves have been measured at moderate to high resolution for several species produced in supersonic molecular beams of acetone, acetone-d/sub 6/ and CS/sub 2/. The molecular beam photoionization mass spectrometer which has been assembled for this work is described. The performance of this instrument has been characterized by a number of experiments and calculations.

Photoionization mass spectrometric studies of selected compounds in a molecular beam

International Nuclear Information System (INIS)

Trott, W.M.

1979-03-01

Photoionization efficiency curves have been measured at moderate to high resolution for several species produced in supersonic molecular beams of acetone, acetone-d 6 and CS 2 . The molecular beam photoionization mass spectrometer which has been assembled for this work is described. The performance of this instrument has been characterized by a number of experiments and calculations

A survey of formaldehyde in the Cepheus OB3 molecular cloud

International Nuclear Information System (INIS)

Few, R.W.; Cohen, R.J.

1983-01-01

The 1 11 - 1 10 absorption line of formaldehyde at 6-cm wavelength has been surveyed over the region of the Cepheus OB3 molecular cloud, using the Jodrell Bank Mk II radio telescope (beamwidth 9 x 10 arcmin 2 ). The measurements have a velocity resolution of 0.27 km s - 1 and an rms noise level of approx. 0.01 K. The formaldehyde has a very clumpy distribution which is broadly similar to the CO distribution found by Sargent. A total molecular mass of 1.9 x 10 4 solar masses is implied by the formaldehyde measurements. Cepheus A is not the dominant concentration in the formaldehyde map. The most massive formaldehyde concentration is Cepheus C, which has a mass of 3600 solar masses. It appears to be stabilized by rotation. (author)

Thermally modulated nano-trampoline material as smart skin for gas molecular mass detection

Science.gov (United States)

Xia, Hua

2012-06-01

Conventional multi-component gas analysis is based either on laser spectroscopy, laser and photoacoustic absorption at specific wavelengths, or on gas chromatography by separating the components of a gas mixture primarily due to boiling point (or vapor pressure) differences. This paper will present a new gas molecular mass detection method based on thermally modulated nano-trampoline material as smart skin for gas molecular mass detection by fiber Bragg grating-based gas sensors. Such a nanomaterial and fiber Bragg grating integrated sensing device has been designed to be operated either at high-energy level (highly thermal strained status) or at low-energy level (low thermal strained status). Thermal energy absorption of gas molecular trigs the sensing device transition from high-thermal-energy status to low-thermal- energy status. Experiment has shown that thermal energy variation due to gas molecular thermal energy absorption is dependent upon the gas molecular mass, and can be detected by fiber Bragg resonant wavelength shift with a linear function from 17 kg/kmol to 32 kg/kmol and a sensitivity of 0.025 kg/kmol for a 5 micron-thick nano-trampoline structure and fiber Bragg grating integrated gas sensing device. The laboratory and field validation data have further demonstrated its fast response characteristics and reliability to be online gas analysis instrument for measuring effective gas molecular mass from single-component gas, binary-component gas mixture, and multi-gas mixture. The potential industrial applications include fouling and surge control for gas charge centrifugal compressor ethylene production, gas purity for hydrogen-cooled generator, gasification for syngas production, gasoline/diesel and natural gas fuel quality monitoring for consumer market.

Detection of sputtered molecular doubly charged anions: a comparison of secondary-ion mass spectrometry (SIMS) and accelerator mass spectrometry (AMS)

International Nuclear Information System (INIS)

Gnaser, Hubert; Golser, Robin; Kutschera, Walter; Priller, Alfred; Steier, Peter; Vockenhuber, Christof

2004-01-01

The detection of small molecular dianions by secondary-ion mass spectrometry (SIMS) and by accelerator mass spectrometry (AMS) is compared. In SIMS, the existence of these dianions can be identified safely if the total mass number of the molecule is odd and the dianion is hence detected at a half-integral mass number. The occurrence of fragmentation processes which may interfere with this scheme, is illustrated by means of the energy spectra of singly and doubly charged negative cluster ions. As compared to SIMS, AMS can rely, in addition, on the break-up of molecular species in the stripping process: this allows to monitor the simultaneous arrival of several atomic constituents with a clear energetic pattern in coincidence at the detector. This feature is exemplified for the C 10 2- dianion

On the Stability of Periodic Mercury-type Rotations

Science.gov (United States)

Churkina, Tatyana E.; Stepanov, Sergey Y.

2017-12-01

We consider the stability of planar periodic Mercury-type rotations of a rigid body around its center of mass in an elliptical orbit in a central Newtonian field of forces. Mercurytype rotations mean that the body makes 3 turns around its center of mass during 2 revolutions of the center of mass in its orbit (resonance 3:2). These rotations can be 1) symmetrical 2π- periodic, 2) symmetrical 4π-periodic and 3) asymmetrical 4π-periodic. The stability of rotations of type 1) was investigated by A.P.Markeev. In our paper we present a nonlinear stability analysis for some rotations of types 2) and 3) in 3rd- and 4th-order resonant cases, in the nonresonant case and at the boundaries of regions of linear stability.

Molecular stopwatches, cogwheels and ``spinflakes'': studying the dynamics of molecular superrotors

Science.gov (United States)

Korobenko, Aleksey; Milner, Alexander; Hepburn, John; Milner, Valery

2015-05-01

Using the technique of an optical centrifuge, we excite diatomic molecules to ultrafast synchronous rotation. Femtosecond velocity-map imaging allows us to visualize and study the coherent dynamics of molecular superrotors under field free conditions and in external magnetic field. We demonstrate that when the created rotational wave packet is narrow, its free evolution is nondispersing and follows the motion of a classically rotating dumbbell or a hand of the smallest natural stopwatch. For wider rotational distributions, we observe the breakdown of classical rotation, when a dumbbell shape changes to that of a ``quantum cogwheel'' - a molecular state simultaneously aligned along multiple direction. Our measurements in external magnetic field reveal other peculiar aspects of the rich dynamics of molecular superrotors. The rotation of a non-magnetic molecule interacts with the applied field only weakly, giving rise to slow precession of the molecular angular momentum around the field direction. In contrast, the electronic spin of a paramagnetic superrotor mediates this interaction, causing the initial disk-like angular distribution to split into several spatial components, each precessing with its own frequency determined by the spin projection.

Molecular characterization and expression analysis of fat mass and ...

Indian Academy of Sciences (India)

Keywords. fat mass and obesity-associated gene (FTO); rabbit; mRNA expression patterns; sequence analysis; Oryctolagus cuniculus. ... In this work, the molecular characterization and expression features of rabbit (Oryctolagus cuniculus) FTO cDNA were analysed. The rabbit FTO cDNA with a size of 2158 bp was cloned, ...

Recent contributions of flame-sampling molecular-beam mass spectrometry to a fundamental understanding of combustion chemistry

Energy Technology Data Exchange (ETDEWEB)

Hansen, Nils [Combustion Research Facility, Sandia National Laboratories, Livermore, CA 94551 (United States); Cool, Terrill A. [School of Applied and Engineering Physics, Cornell University, Ithaca, NY 14853 (United States); Westmoreland, Phillip R. [Department of Chemical Engineering, University of Massachusetts, Amherst, MA 01003 (United States); Kohse-Hoeinghaus, Katharina [Department of Chemistry, Bielefeld University, D-33615 Bielefeld (Germany)

2009-04-15

Flame-sampling molecular-beam mass spectrometry of premixed, laminar, low-pressure flat flames has been demonstrated to be an efficient tool to study combustion chemistry. In this technique, flame gases are sampled through a small opening in a quartz probe, and after formation of a molecular beam, all flame species are separated using mass spectrometry. The present review focuses on critical aspects of the experimental approach including probe sampling effects, different ionization processes, and mass separation procedures. The capability for isomer-resolved flame species measurements, achievable by employing tunable vacuum-ultraviolet radiation for single-photon ionization, has greatly benefited flame-sampling molecular-beam mass spectrometry. This review also offers an overview of recent combustion chemistry studies of flames fueled by hydrocarbons and oxygenates. The identity of a variety of intermediates in hydrocarbon flames, including resonantly stabilized radicals and closed-shell intermediates, is described, thus establishing a more detailed understanding of the fundamentals of molecular-weight growth processes. Finally, molecular-beam mass-spectrometric studies of reaction paths in flames of alcohols, ethers, and esters, which have been performed to support the development and validation of kinetic models for bio-derived alternative fuels, are reviewed. (author)

The Anomalies of Hyaluronan Structures in Presence of Surface Active Phospholipids—Molecular Mass Dependence

Directory of Open Access Journals (Sweden)

Piotr Bełdowski

2018-03-01

Full Text Available Interactions between hyaluronan (A- and phospholipids play a key role in many systems in the human body. One example is the articular cartilage system, where the synergistic effect of such interactions supports nanoscale lubrication. A molecular dynamics simulation has been performed to understand the process of formation of hydrogen bonds inside the hyaluronan network, both in the presence and absence of phospholipids. Additionally, the effect of the molecular mass of (A- was analyzed. The main finding of this work is a robust demonstration of the optimal parameters (H-bond energy, molecular mass influencing the facilitated lubrication mechanism of the articular cartilage system. Simulation results show that the presence of phospholipids has the greatest influence on hyaluronan at low molecular mass. We also show the specific sites of H-bonding between chains. Simulation results can help to understand how hyaluronan and phospholipids interact at several levels of articular cartilage system functioning.

Rotation of small clusters in sheared metallic glasses

International Nuclear Information System (INIS)

Delogu, Francesco

2011-01-01

Graphical abstract: When a Cu 50 Ti 50 metallic glass is shear-deformed, the irreversible rearrangement of local structures allows the rigid body rotation of clusters. Highlights: → A shear-deformed Cu 50 Ti 50 metallic glass was studied by molecular dynamics. → Atomic displacements occur at irreversible rearrangements of local structures. → The dynamics of such events includes the rigid body rotation of clusters. → Relatively large clusters can undergo two or more complete rotations. - Abstract: Molecular dynamics methods were used to simulate the response of a Cu 50 Ti 50 metallic glass to shear deformation. Attention was focused on the atomic displacements taking place during the irreversible rearrangement of local atomic structures. It is shown that the apparently disordered dynamics of such events hides the rigid body rotation of small clusters. Cluster rotation was investigated by evaluating rotation angle, axis and lifetimes. This permitted to point out that relatively large clusters can undergo two or more complete rotations.

Rotation commensurate echo of asymmetric molecules—Molecular fingerprints in the time domain

Energy Technology Data Exchange (ETDEWEB)

Chesnokov, E. N., E-mail: chesnok@kinetics.nsc.ru [Institute of Chemical Kinetics and Combustion, Novosibirsk 630090 (Russian Federation); Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Kubarev, V. V. [Budker Institute of Nuclear Physics, Novosibirsk 630090 (Russian Federation); Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Koshlyakov, P. V. [Institute of Chemical Kinetics and Combustion, Novosibirsk 630090 (Russian Federation)

2014-12-29

Using the pulses of terahertz free electron laser and ultra-fast Schottky diode detectors, we observed the coherent transients within a free induction decay of gaseous nitrogen dioxide NO{sub 2}. The laser excited different sub-bands of rotation spectra of NO{sub 2} containing about 50–70 lines. The free induction signal continued more than 30 ns and consisted of many echo-like bursts duration about 0.2 ns. Unlike the similar effect observed previously for linear and symmetric top molecules, the sequence of echo bursts is not periodic. The values for delay of individual echo are stable, and the set of these delays can be considered as a “molecular fingerprint” in the time domain.

Internal rotation of 1-Aryl-3,3-dialkyltriazenes. Comparison of semiempirical molecular orbital calculations with far-infrared, Raman, and NMR spectroscopic results

International Nuclear Information System (INIS)

Panitz, J.C.; Lippert, T.; Wokaun, A.

1994-01-01

PM3 and AM1 semiempirical molecular orbital techniques are used to establish a model for internal rotation about the N 2 -N 3 axis of 1-aryl-3,3-dialkyltriazines. The PM3 method is satisfactory for obtaining agreement between the experimental and calculated results, but the AM1 method has an artifact in the potential energy curve of internal rotation about the N 2 -N 3 axis. 24 refs., 6 figs., 5 tabs

Molecular orbitals of nucleons in nucleus-nucleus collisions

International Nuclear Information System (INIS)

Imanishi, B.; Oertzen, W. von.

1986-05-01

A formalism for the dynamical treatment of the molecular orbitals of valence nucleons in nucleus-nucleus collisions at low bombarding energy is developed with the use of the coupled-reaction-channel (CRC) method. The Coriolis coupling effects as well as the finite mass effects of the nucleon are taken into account in this model, of rotating molecular orbitals, RMO. First, the validity of the concept is examined from the view point of the multi-step processes in a standard CRC calculation for systems containing two identical [core] nuclei. The calculations show strong CRC effects particularly in the case where the mixing of different l-parity orbitals - called hybridization in atomic physics - occurs. Then, the RMO representation for active nucleons is applied to the same systems and compared to the CRC results. Its validity is investigated with respect to the radial motion (adiabaticity) and the rotation of the molecular axis (radial and rotational coupling). Characteristic molecular orbitals of covalent molecules appear as rotationally stable states (K = 1/2) with good adiabaticity. Using the RMO's we obtain a new interpretation of various scattering phenomena. Dynamically induced changes in the effective Q-values (or scaling of energies), dynamically induced moments of inertia and an dynamically induced effective (L · S) interaction are obtained as a result of the molecular orbital formation. Various experimental data on transfer and subbarrier fusion reactions are understood in terms of the RMO's and their adiabatic potentials. Landau-Zener transitions, which strongly depend on the total angular momentum of the system, definitely predict the observation of characteristic changes in the cross sections for the inelastic scattering 13 C( 12 C, 12 C) 13 C* (3.086 MeV, 1/2 + ) with the change of the bombarding energy. (author)

PRECISE BLACK HOLE MASSES FROM MEGAMASER DISKS: BLACK HOLE-BULGE RELATIONS AT LOW MASS

International Nuclear Information System (INIS)

Greene, Jenny E.; Peng, Chien Y.; Kim, Minjin; Kuo, Cheng-Yu; Braatz, James A.; Impellizzeri, C. M. Violette; Condon, James J.; Lo, K. Y.; Henkel, Christian; Reid, Mark J.

2010-01-01

The black hole (BH)-bulge correlations have greatly influenced the last decade of efforts to understand galaxy evolution. Current knowledge of these correlations is limited predominantly to high BH masses (M BH ∼>10 8 M sun ) that can be measured using direct stellar, gas, and maser kinematics. These objects, however, do not represent the demographics of more typical L 2 O megamasers in circumnuclear disks. The masers trace the Keplerian rotation of circumnuclear molecular disks starting at radii of a few tenths of a pc from the central BH. Modeling of the rotation curves, presented by Kuo et al., yields BH masses with exquisite precision. We present stellar velocity dispersion measurements for a sample of nine megamaser disk galaxies based on long-slit observations using the B and C spectrograph on the Dupont telescope and the Dual Imaging Spectrograph on the 3.5 m telescope at Apache Point. We also perform bulge-to-disk decomposition of a subset of five of these galaxies with Sloan Digital Sky Survey imaging. The maser galaxies as a group fall below the M BH -σ * relation defined by elliptical galaxies. We show, now with very precise BH mass measurements, that the low-scatter power-law relation between M BH and σ * seen in elliptical galaxies is not universal. The elliptical galaxy M BH -σ * relation cannot be used to derive the BH mass function at low mass or the zero point for active BH masses. The processes (perhaps BH self-regulation or minor merging) that operate at higher mass have not effectively established an M BH -σ * relation in this low-mass regime.

Low molecular weight components in an aquatic humic substance as characterized by membrane dialysis and orbitrap mass spectrometry.

Science.gov (United States)

Remucal, Christina K; Cory, Rose M; Sander, Michael; McNeill, Kristopher

2012-09-04

Suwannee River fulvic acid (SRFA) was dialyzed through a 100-500 molecular weight cutoff dialysis membrane, and the dialysate and retentate were analyzed by UV-visible absorption and high-resolution Orbitrap mass spectrometry (MS). A significant fraction (36% based on dissolved organic carbon) of SRFA passed through the dialysis membrane. The fraction of SRFA in the dialysate had a different UV-visible absorption spectrum and was enriched in low molecular weight molecules with a more aliphatic composition relative to the initial SRFA solution. Comparison of the SRFA spectra collected by Orbitrap MS and Fourier transform ion cyclotron resonance MS (FT-ICR MS) demonstrated that the mass accuracy of the Orbitrap MS is sufficient for determination of unique molecular formulas of compounds with masses masses detected by Orbitrap MS were found in the 100-200 Da mass range. Many of these low molecular masses corresponded to molecular formulas of previously identified compounds in organic matter, lignin, and plants, and the use of the standard addition method provided an upper concentration estimate of selected target compounds in SRFA. Collectively, these results provide evidence that SRFA contains low molecular weight components that are present individually or in loosely bound assemblies.

Quark Deconfinement in Rotating Neutron Stars

Directory of Open Access Journals (Sweden)

Richard D. Mellinger

2017-01-01

Full Text Available In this paper, we use a three flavor non-local Nambu–Jona-Lasinio (NJL model, an improved effective model of Quantum Chromodynamics (QCD at low energies, to investigate the existence of deconfined quarks in the cores of neutron stars. Particular emphasis is put on the possible existence of quark matter in the cores of rotating neutron stars (pulsars. In contrast to non-rotating neutron stars, whose particle compositions do not change with time (are frozen in, the type and structure of the matter in the cores of rotating neutron stars depends on the spin frequencies of these stars, which opens up a possible new window on the nature of matter deep in the cores of neutron stars. Our study shows that, depending on mass and rotational frequency, up to around 8% of the mass of a massive neutron star may be in the mixed quark-hadron phase, if the phase transition is treated as a Gibbs transition. We also find that the gravitational mass at which quark deconfinement occurs in rotating neutron stars varies quadratically with spin frequency, which can be fitted by a simple formula.

Hydromagnetic rotational braking of magnetic stars

International Nuclear Information System (INIS)

Fleck, R.C. Jr.

1980-01-01

It is suggested that the magnetic Ap stars can be rotationally decelerated to long periods by the braking action of the associated magnetic field on time scales of order 10 7 --10 10 years depending on whether the star's dipole field is aligned perpendicular or parallel to the rotation axis. Rotation includes a toroidal magnetic field in the plasma surrounding a star, and the accompanying magnetic stresses produce a net torque acting to despin the star. These results indicate that it is not necessary to postulate mass loss or mass accretion for this purely hydromagnetic braking effect

Pathology interface for the molecular analysis of tissue by mass spectrometry

Directory of Open Access Journals (Sweden)

Jeremy L Norris

2016-01-01

Full Text Available Background: Imaging mass spectrometry (IMS generates molecular images directly from tissue sections to provide better diagnostic insights and expand the capabilities of clinical anatomic pathology. Although IMS technology has matured over recent years, the link between microscopy imaging currently used by pathologists and MS-based molecular imaging has not been established. Methods: We adapted the Vanderbilt University Tissue Core workflow for IMS into a web-based system that facilitates remote collaboration. The platform was designed to perform within acceptable web response times for viewing, annotating, and processing high resolution microscopy images. Results: We describe a microscopy-driven approach to tissue analysis by IMS. Conclusion: The Pathology Interface for Mass Spectrometry is designed to provide clinical access to IMS technology and deliver enhanced diagnostic value.

Rotational Spectroscopy of the NH{sub 3}–H{sub 2} Molecular Complex

Energy Technology Data Exchange (ETDEWEB)

Surin, L. A.; Schlemmer, S. [I. Physikalisches Institut, University of Cologne, Zülpicher Str. 77, D-50937 Cologne (Germany); Tarabukin, I. V. [Institute of Spectroscopy of Russian Academy of Sciences, Fizicheskaya Str. 5, 108840 Troitsk, Moscow, Russia (Russian Federation); Breier, A. A.; Giesen, T. F. [Institute of Physics, University of Kassel, Heinrich-Plett-Str. 40, D-34132 Kassel (Germany); McCarthy, M. C. [Harvard-Smithsonian Center for Astrophysics, Cambridge, MA 02138 (United States); Avoird, A. van der, E-mail: surin@ph1.uni-koeln.de, E-mail: A.vanderAvoird@theochem.ru.nl [Theoretical Chemistry, Institute for Molecules and Materials, Radboud University, Heyendaalseweg 135, 6525 AJ Nijmegen (Netherlands)

2017-03-20

We report the first high resolution spectroscopic study of the NH{sub 3}–H{sub 2} van der Waals molecular complex. Three different experimental techniques, a molecular beam Fourier transform microwave spectrometer, a millimeter-wave intracavity jet OROTRON spectrometer, and a submillimeter-wave jet spectrometer with multipass cell, were used to detect pure rotational transitions of NH{sub 3}–H{sub 2} in the wide frequency range from 39 to 230 GHz. Two nuclear spin species, ( o )-NH{sub 3}–( o )-H{sub 2} and ( p )-NH{sub 3}–( o )-H{sub 2}, have been assigned as carriers of the observed lines on the basis of accompanying rovibrational calculations performed using the ab initio intermolecular potential energy surface (PES) of Maret et al. The experimental spectra were compared with the theoretical bound state results, thus providing a critical test of the quality of the NH{sub 3}–H{sub 2} PES, which is a key issue for reliable computations of the collisional excitation and de-excitation of ammonia in the dense interstellar medium.

Photoelectron spectroscopy of supersonic molecular beams

International Nuclear Information System (INIS)

Pollard, J.E.; Trevor, D.J.; Lee, Y.T.; Shirley, D.A.

1981-01-01

A high-resolution photoelectron spectrometer which uses molecular beam sampling is described. Photons from a rare-gas resonance lamp or UV laser are crossed with the beam from a differentially pumped supersonic nozzle source. The resulting photoelectrons are collected by an electrostatic analyzer of a unique design consisting of a 90 0 spherical sector preanalyzer, a system of lenses, and a 180 0 hemispherical deflector. A multichannel detection system based on dual microchannel plates with a resistive anode position encoder provides an increase in counting efficiency by a factor of 12 over the equivalent single channel detector. The apparatus has demonstrated an instrumental resolution of better than 10 meV FWHM, limited largely by the photon source linewidth. A quadrupole mass spectrometer is used to characterize the composition of the molecular beam. Extensive differential pumping is provided to protect the critical surfaces of the analyzer and mass spectrometer from contamination. Because of the near elimination of Doppler and rotational broadenings, the practical resolution is the highest yet obtained in molecular PES

The diverse and expanding role of mass spectrometry in structural and molecular biology.

Science.gov (United States)

Lössl, Philip; van de Waterbeemd, Michiel; Heck, Albert Jr

2016-12-15

The emergence of proteomics has led to major technological advances in mass spectrometry (MS). These advancements not only benefitted MS-based high-throughput proteomics but also increased the impact of mass spectrometry on the field of structural and molecular biology. Here, we review how state-of-the-art MS methods, including native MS, top-down protein sequencing, cross-linking-MS, and hydrogen-deuterium exchange-MS, nowadays enable the characterization of biomolecular structures, functions, and interactions. In particular, we focus on the role of mass spectrometry in integrated structural and molecular biology investigations of biological macromolecular complexes and cellular machineries, highlighting work on CRISPR-Cas systems and eukaryotic transcription complexes. © 2016 The Authors. Published under the terms of the CC BY NC ND 4.0 license.

Improvement of a new rotation function for molecular replacement by designing new scoring functions and dynamic correlation coefficient

Science.gov (United States)

Jiang, Fan; Ding, Wei

2010-10-01

A previously published new rotation function has been improved by using a dynamic correlation coefficient as well as two new scoring functions of relative entropy and mean-square-residues to make the rotation function more robust and independent of a specific set of weights for scoring and ranking. The previously described new rotation function calculates the rotation function of molecular replacement by matching the search model directly with the Patterson vector map. The signal-to-noise ratio for the correct match was increased by averaging all the matching peaks. Several matching scores were employed to evaluate the goodness of matching. These matching scores were then combined into a single total score by optimizing a set of weights using the linear regression method. It was found that there exists an optimal set of weights that can be applied to the global rotation search and the correct solution can be ranked in the top 100 or less. However, this set of optimal weights in general is dependent on the search models and the crystal structures with different space groups and cell parameters. In this work, we try to solve this problem by designing a dynamic correlation coefficient. It is shown that the dynamic correlation coefficient works for a variety of space groups and cell parameters in the global search of rotation function. We also introduce two new matching scores: relative entropy and mean-square-residues. Last but not least, we discussed a valid method for the optimization of the adjustable parameters for matching vectors.

Improvement of a new rotation function for molecular replacement by designing new scoring functions and dynamic correlation coefficient

International Nuclear Information System (INIS)

Fan, Jiang; Wei, Ding

2010-01-01

A previously published new rotation function has been improved by using a dynamic correlation coefficient as well as two new scoring functions of relative entropy and mean-square-residues to make the rotation function more robust and independent of a specific set of weights for scoring and ranking. The previously described new rotation function calculates the rotation function of molecular replacement by matching the search model directly with the Patterson vector map. The signal-to-noise ratio for the correct match was increased by averaging all the matching peaks. Several matching scores were employed to evaluate the goodness of matching. These matching scores were then combined into a single total score by optimizing a set of weights using the linear regression method. It was found that there exists an optimal set of weights that can be applied to the global rotation search and the correct solution can be ranked in the top 100 or less. However, this set of optimal weights in general is dependent on the search models and the crystal structures with different space groups and cell parameters. In this work, we try to solve this problem by designing a dynamic correlation coefficient. It is shown that the dynamic correlation coefficient works for a variety of space groups and cell parameters in the global search of rotation function. We also introduce two new matching scores: relative entropy and mean-square-residues. Last but not least, we discussed a valid method for the optimization of the adjustable parameters for matching vectors. (condensed matter: structure, thermal and mechanical properties)

Classical electron ionization mass spectra in gas chromatography/mass spectrometry with supersonic molecular beams.

Science.gov (United States)

Gordin, Alexander; Fialkov, Alexander B; Amirav, Aviv

2008-09-01

A major benefit of gas chromatography/mass spectrometry (GC/MS) with a supersonic molecular beam (SMB) interface and its fly-through ion source is the ability to obtain electron ionization of vibrationally cold molecules (cold EI), which show enhanced molecular ions. However, GC/MS with an SMB also has the flexibility to perform 'classical EI' mode of operation which provides mass spectra to mimic those in commercial 70 eV electron ionization MS libraries. Classical EI in SMB is obtained through simple reduction of the helium make-up gas flow rate, which reduces the SMB cooling efficiency; hence the vibrational temperatures of the molecules are similar to those in traditional EI ion sources. In classical EI-SMB mode, the relative abundance of the molecular ion can be tuned and, as a result, excellent identification probabilities and very good matching factors to the NIST MS library are obtained. Classical EI-SMB with the fly-through dual cage ion source has analyte sensitivity similar to that of the standard EI ion source of a basic GC/MS system. The fly-through EI ion source in combination with the SMB interface can serve for cold EI, classical EI-SMB, and cluster chemical ionization (CCI) modes of operation, all easily exchangeable through a simple and quick change (not involving hardware). Furthermore, the fly-through ion source eliminates sample scattering from the walls of the ion source, and thus it offers full sample inertness, tailing-free operation, and no ion-molecule reaction interferences. It is also robust and enables increased column flow rate capability without affecting the sensitivity.

Exact solutions for rotating charged dust

International Nuclear Information System (INIS)

Islam, J.N.

1984-01-01

Earlier work by the author on rotating charged dust is summarized. An incomplete class of exact solutions for differentially rotating charged dust in Newton-Maxwell theory for the equal mass and charge case that was found earlier is completed. A new global exact solution for cylindrically symmetric differentially rotating charged dust in Newton-Maxwell theory is presented. Lastly, a new exact solution for cylindrically symmetric rigidly rotating charged dust in general relativity is given. (author)

Control of Rotational Energy and Angular Momentum Orientation with an Optical Centrifuge

Science.gov (United States)

Ogden, Hannah M.; Murray, Matthew J.; Mullin, Amy S.

2017-04-01

We use an optical centrifuge to trap and spin molecules to an angular frequency of 30 THz with oriented angular momenta and extremely high rotational energy and then investigate their subsequent collision dynamics with transient high resolution IR spectroscopy. The optical centrifuge is formed by combining oppositely-chirped pulses of 800 nm light, and overlapping them spatially and temporally. Polarization-sensitive Doppler-broadened line profiles characterize the anisotropic kinetic energy release of the super rotor molecules, showing that they behave like molecular gyroscopes. Studies are reported for collisions of CO2 super rotors with CO2, He and Ar. These studies reveal how mass, velocity and rotational adiabaticity impact the angular momentum relaxation and reorientation. Quantum scattering calculations provide insight into the J-specific collision cross sections that control the relaxation. NSF-CHE 105 8721.

Electropumping of water with rotating electric fields

DEFF Research Database (Denmark)

Hansen, Jesper Schmidt; De Luca, Sergio; Todd, Billy

2013-01-01

exploiting the coupling of spin angular momentum to linear streaming momentum. A spatially uniform rotating electric field is applied to water molecules, which couples to their permanent electric dipole moments. The resulting molecular rotational momentum is converted into linear streaming momentum...

Direct observation, study and control of molecular super rotors

Science.gov (United States)

Korobenko, Aleksey; Milner, Alexander; Hepburn, John; Milner, Valery

2014-05-01

Extremely fast rotating molecules whose rotational energy is comparable with or exceeds the molecular bond strength are known as ``super rotors''. It has been speculated that super rotors may exhibit a number of unique properties, yet only indirect evidence of these molecular objects has been reported to date. We demonstrate the first direct observation of molecular super rotors by detecting coherent unidirectional molecular rotation with extreme frequencies exceeding 10 THz. The technique of an ``optical centrifuge'' is used to control the degree of rotational excitation in an ultra-broad range of rotational quantum numbers, reaching as high as N = 95 in oxygen and N = 60 in nitrogen. State-resolved detection enables us to determine the shape of the excited rotational wave packet and quantify the effect of centrifugal distortion on the rotational spectrum. Femtosecond time resolution reveals coherent rotational dynamics with increasing coherence times at higher angular momentum. We demonstrate that molecular super rotors can be created and observed in dense samples under normal conditions where the effects of ultrafast rotation on many-body interactions, inter-molecular collisions and chemical reactions can be readily explored.

Gravity Modes Reveal the Internal Rotation of a Post-mass-transfer Gamma Doradus/Delta Scuti Hybrid Pulsator in Kepler Eclipsing Binary KIC 9592855

Science.gov (United States)

Guo, Z.; Gies, D. R.; Matson, R. A.

2017-12-01

We report the discovery of a post-mass-transfer Gamma Doradus/Delta Scuti hybrid pulsator in the eclipsing binary KIC 9592855. This binary has a circular orbit, an orbital period of 1.2 days, and contains two stars of almost identical masses ({M}1=1.72 {M}⊙ ,{M}2=1.71 {M}⊙ ). However, the cooler secondary star is more evolved ({R}2=1.96 {R}⊙ ), while the hotter primary is still on the zero-age-main-sequence ({R}1=1.53 {R}⊙ ). Coeval models from single-star evolution cannot explain the observed masses and radii, and binary evolution with mass-transfer needs to be invoked. After subtracting the binary light curve, the Fourier spectrum shows low-order pressure-mode pulsations, and more dominantly, a cluster of low-frequency gravity modes at about 2 day-1. These g-modes are nearly equally spaced in period, and the period spacing pattern has a negative slope. We identify these g-modes as prograde dipole modes and find that they stem from the secondary star. The frequency range of unstable p-modes also agrees with that of the secondary. We derive the internal rotation rate of the convective core and the asymptotic period spacing from the observed g-modes. The resulting values suggest that the core and envelope rotate nearly uniformly, i.e., their rotation rates are both similar to the orbital frequency of this synchronized binary.

A High-Mass Cold Core in the Auriga-California Giant Molecular Cloud

Science.gov (United States)

Magnus McGehee, Peregrine; Paladini, Roberta; Pelkonen, Veli-Matti; Toth, Viktor; Sayers, Jack

2015-08-01

The Auriga-California Giant Molecular Cloud is noted for its relatively low star formation rate, especially at the high-mass end of the Initial Mass Function. We combine maps acquired by the Caltech Submillimeter Observatory's Multiwavelength Submillimeter Inductance Camera [MUSIC] in the wavelength range 0.86 to 2.00 millimeters with Planck and publicly-available Herschel PACS and SPIRE data in order to characterize the mass, dust properties, and environment of the bright core PGCC G163.32-8.41.

Molecular rotation-vibration dynamics of low-symmetric hydrate crystal in the terahertz region.

Science.gov (United States)

Fu, Xiaojian; Wu, Hongya; Xi, Xiaoqing; Zhou, Ji

2014-01-16

The rotational and vibrational dynamics of molecules in copper sulfate pentahydrate crystal are investigated with terahertz dielectric spectra. It is shown that the relaxation-like dielectric dispersion in the low frequency region is related to the reorientation of water molecules under the driving of terahertz electric field, whereas the resonant dispersion can be ascribed to lattice vibration. It is also found that, due to the hydrogen-bond effect, the vibrational mode at about 1.83 THz along [-111] direction softens with decreasing temperature, that is, the crystal expands in this direction when cooled. On the contrary, the mode hardens in the direction perpendicular to [-111] during the cooling process. This contributes to the further understanding of the molecular structure and bonding features of hydrate crystals.

Detection of high molecular weight proteins by MALDI imaging mass spectrometry.

Science.gov (United States)

Mainini, Veronica; Bovo, Giorgio; Chinello, Clizia; Gianazza, Erica; Grasso, Marco; Cattoretti, Giorgio; Magni, Fulvio

2013-06-01

MALDI imaging mass spectrometry (IMS) is a unique technology to explore the spatial distribution of biomolecules directly on tissues. It allows the in situ investigation of a large number of small proteins and peptides. Detection of high molecular weight proteins through MALDI IMS still represents an important challenge, as it would allow the direct investigation of the distribution of more proteins involved in biological processes, such as cytokines, enzymes, neuropeptide precursors and receptors. In this work we compare the traditional method performed with sinapinic acid with a comparable protocol using ferulic acid as the matrix. Data show a remarkable increase of signal acquisition in the mass range of 20k to 150k Th. Moreover, we report molecular images of biomolecules above 70k Th, demonstrating the possibility of expanding the application of this technology both in clinical investigations and basic science.

A rotating target wheel system for gammasphere

International Nuclear Information System (INIS)

Greene, J. P.

1999-01-01

A description is given for a low-mass, rotating target wheel to be used within the Gammasphere target chamber. This system was developed for experiments employing high beam currents in order to extend lifetimes of targets using low-melting point target material. The design is based on a previously successful implementation of rotating target wheels for the Argonne Positron Experiment (APEX) as well as the Fragment Mass Analyser (FMA) at ATLAS (Argonne Tandem Linac Accelerator System). A brief history of these rotating target wheel systems is given as well as a discussion on target preparation and performance

Rotational coherence spectroscopy at FLASH. Toward dynamic studies in nanosuperfluids

Energy Technology Data Exchange (ETDEWEB)

Kickermann, Andreas

2013-07-15

The field of molecular physics, which is focusing on molecular motion in the transition states of physical, chemical, and biological changes, is a wide-spread research area. It strives to reveal the structural and functional properties of molecules, the chemical bonds between atoms and the time evolution. Many processes occurring in nature upon electronic excitation proceed on the ultrafast femtosecond timescale and can be triggered by modern ultrashort femtosecond-laser sources under laboratory conditions. In the present thesis pump-probe studies were performed to follow molecular motion using ultrashort light pulses in the nanometer wavelength range provided by an XUV freeelectron laser (FEL). In detail, alignment of molecular species in space under field-free conditions was investigated. In the specific case of rotational wave packets in molecules the rotational dynamics shows characteristic temporal features, which contain a wealth of information on molecular structure and give insight into molecular coupling mechanisms, i.e. rotational constants and transition frequencies. Within this thesis, Rotational Coherence Spectroscopy (RCS) reveals wave-packet motion observed by subsequent Coulomb explosion of Raman excited carbon monoxide, which results in a time-dependent asymmetry of spatial fragmentation patterns. With the method presented here, the time resolution to elucidate the fast dynamics of strong couplings can be pushed toward a single rotational period even for the fastest rotors. This is due to large pump-probe delays with small subpicosecond step size. This kind of spectroscopy can also be expanded to molecular species, which are not accessible by other powerful spectroscopic methods, such as Fourier-transform microwave spectroscopy (FTMW). Furthermore, it allows to measure weak molecular couplings on a long timescale (large pump-probe delays), e.g. couplings of molecules in a solution or molecules dissolved in quantum fluids. This is valuable to

Rotational coherence spectroscopy at FLASH. Toward dynamic studies in nanosuperfluids

International Nuclear Information System (INIS)

Kickermann, Andreas

2013-07-01

The field of molecular physics, which is focusing on molecular motion in the transition states of physical, chemical, and biological changes, is a wide-spread research area. It strives to reveal the structural and functional properties of molecules, the chemical bonds between atoms and the time evolution. Many processes occurring in nature upon electronic excitation proceed on the ultrafast femtosecond timescale and can be triggered by modern ultrashort femtosecond-laser sources under laboratory conditions. In the present thesis pump-probe studies were performed to follow molecular motion using ultrashort light pulses in the nanometer wavelength range provided by an XUV freeelectron laser (FEL). In detail, alignment of molecular species in space under field-free conditions was investigated. In the specific case of rotational wave packets in molecules the rotational dynamics shows characteristic temporal features, which contain a wealth of information on molecular structure and give insight into molecular coupling mechanisms, i.e. rotational constants and transition frequencies. Within this thesis, Rotational Coherence Spectroscopy (RCS) reveals wave-packet motion observed by subsequent Coulomb explosion of Raman excited carbon monoxide, which results in a time-dependent asymmetry of spatial fragmentation patterns. With the method presented here, the time resolution to elucidate the fast dynamics of strong couplings can be pushed toward a single rotational period even for the fastest rotors. This is due to large pump-probe delays with small subpicosecond step size. This kind of spectroscopy can also be expanded to molecular species, which are not accessible by other powerful spectroscopic methods, such as Fourier-transform microwave spectroscopy (FTMW). Furthermore, it allows to measure weak molecular couplings on a long timescale (large pump-probe delays), e.g. couplings of molecules in a solution or molecules dissolved in quantum fluids. This is valuable to

HII regions in collapsing massive molecular clouds

International Nuclear Information System (INIS)

Yorke, H.W.; Bodenheimer, P.; Tenorio-Tagle, G.

1982-01-01

Results of two-dimensional numerical calculations of the evolution of HII regions associated with self-gravitating, massive molecular clouds are presented. Depending on the location of the exciting star, a champagne flow can occur concurrently with the central collapse of a nonrotating cloud. Partial evaporation of the cloud at a rate of about 0.005 solar masses/yr results. When 100 O-stars are placed at the center of a freely falling cloud of 3x10 5 solar masses no evaporation takes place. Rotating clouds collapse to disks and the champagne flow can evaporate the cloud at a higher rate (0.01 solar masses/yr). It is concluded that massive clouds containing OB-stars have lifetimes of no more than 10 7 yr. (Auth.)

Single-core magnetic markers in rotating magnetic field based homogeneous bioassays and the law of mass action

Energy Technology Data Exchange (ETDEWEB)

Dieckhoff, Jan, E-mail: j.dieckhoff@tu-bs.de [Institut fuer Elektrische Messtechnik und Grundlagen der Elektrotechnik, TU Braunschweig, Braunschweig (Germany); Schrittwieser, Stefan; Schotter, Joerg [Molecular Diagnostics, AIT Austrian Institute of Technology, Vienna (Austria); Remmer, Hilke; Schilling, Meinhard; Ludwig, Frank [Institut fuer Elektrische Messtechnik und Grundlagen der Elektrotechnik, TU Braunschweig, Braunschweig (Germany)

2015-04-15

In this work, we report on the effect of the magnetic nanoparticle (MNP) concentration on the quantitative detection of proteins in solution with a rotating magnetic field (RMF) based homogeneous bioassay. Here, the phase lag between 30 nm iron oxide single-core particles and the RMF is analyzed with a fluxgate-based measurement system. As a test analyte anti-human IgG is applied which binds to the protein G functionalized MNP shell and causes a change of the phase lag. The measured phase lag changes for a fixed MNP and a varying analyte concentration are modeled with logistic functions. A change of the MNP concentration results in a nonlinear shift of the logistic function with the analyte concentration. This effect results from the law of mass action. Furthermore, the bioassay results are used to determine the association constant of the binding reaction. - Highlights: • A rotating magnetic field based homogeneous bioassay concept was presented. • Here, single-core iron oxide nanoparticles are applied as markers. • The impact of the particle concentration on the bioassay results is investigated. • The relation between particle concentration and bioassay sensitivity is nonlinear. • This finding can be reasonably explained by the law of mass action.

Mass spectrometric identification of molecular species of phosphatidylcholine and lysophosphatidycholine extracted from shark liver

NARCIS (Netherlands)

Chen, S.; Li, K.W.

2007-01-01

The profile and structural characterization of molecular species of phosphatidylcholine (PC) and lysophosphatidylcholine (LysoPC) from shark liver using liquid chromatographic/electrospray ionization mass spectrometry (LC-ESI/MS) and tandem mass spectrometry (MS/MS) are described for the first time

A ROTATING MOLECULAR DISK TOWARD IRAS 18162-2048, THE EXCITING SOURCE OF HH 80-81

International Nuclear Information System (INIS)

Fernandez-Lopez, M.; Curiel, S.; Girart, J. M.; Gomez, Y.; Ho, P. T. P.; Patel, N.

2011-01-01

We present several molecular line emission arcsecond and subarcsecond observations obtained with the Submillimeter Array in the direction of the massive protostar IRAS 18162-2048, the exciting source of HH 80-81. The data clearly indicate the presence of a compact (radius ∼425-850 AU) SO 2 structure, enveloping the more compact (radius ∼ sun . The SO 2 spectral line data also allow us to constrain the structure temperature between 120 and 160 K and the volume density ∼> 2 x 10 9 cm -3 . We also find that such a rotating flattened system could be unstable due to gravitational disturbances. The data from C 17 O line emission show a dense core within this star-forming region. Additionally, the H 2 CO and SO emissions appear clumpy and trace the disk-like structure, a possible interaction between a molecular core and the outflows, and in part, the cavity walls excavated by the thermal radio jet.

Protein rotational dynamics investigated with a dual EPR/optical molecular probe. Spin-labeled eosin.

Science.gov (United States)

Cobb, C E; Hustedt, E J; Beechem, J M; Beth, A H

1993-01-01

An acyl spin-label derivative of 5-aminoeosin (5-SLE) was chemically synthesized and employed in studies of rotational dynamics of the free probe and of the probe when bound noncovalently to bovine serum albumin using the spectroscopic techniques of fluorescence anisotropy decay and electron paramagnetic resonance (EPR) and their long-lifetime counterparts phosphorescence anisotropy decay and saturation transfer EPR. Previous work (Beth, A. H., Cobb, C. E., and J. M. Beechem, 1992. Synthesis and characterization of a combined fluorescence, phosphorescence, and electron paramagnetic resonance probe. Society of Photo-Optical Instrumentation Engineers. Time-Resolved Laser Spectroscopy III. 504-512) has shown that the spin-label moiety only slightly altered the fluorescence and phosphorescence lifetimes and quantum yields of 5-SLE when compared with 5-SLE whose nitroxide had been reduced with ascorbate and with the diamagnetic homolog 5-acetyleosin. In the present work, we have utilized time-resolved fluorescence anisotropy decay and linear EPR spectroscopies to observe and quantitate the psec motions of 5-SLE in solution and the nsec motions of the 5-SLE-bovine serum albumin complex. Time-resolved phosphorescence anisotropy decay and saturation transfer EPR studies have been carried out to observe and quantitate the microseconds motions of the 5-SLE-albumin complex in glycerol/buffer solutions of varying viscosity. These latter studies have enabled a rigorous comparison of rotational correlation times obtained from these complementary techniques to be made with a single probe. The studies described demonstrate that it is possible to employ a single molecular probe to carry out the full range of fluorescence, phosphorescence, EPR, and saturation transfer EPR studies. It is anticipated that "dual" molecular probes of this general type will significantly enhance capabilities for extracting dynamics and structural information from macromolecules and their functional

Light-curve Modulation of Low-mass Stars in K2. I. Identification of 481 Fast Rotators in the Solar Neighborhood

Science.gov (United States)

Saylor, Dicy; Lepine, Sebastien; Crossfield, Ian; Petigura, Erik A.

2018-01-01

The K2 mission is targeting large numbers of nearby (d 40 mas yr‑1, V < 20). Additionally, the mission is targeting low-mass, high proper motion stars associated with the local (d < 500 pc) Galactic halo population also selected from SUPERBLINK. K2 campaigns 0 through 8 monitored a total of 26,518 of these cool main-sequence stars. We used the auto-correlation function to search for fast rotators by identifying short-period photometric modulations in the K2 light curves. We identified 481 candidate fast rotators with rotation periods <4 days that show light-curve modulations consistent with starspots. Their kinematics show low average transverse velocities, suggesting that they are part of the young disk population. A subset (13) of the fast rotators is found among those targets with colors and kinematics consistent with the local Galactic halo population and may represent stars spun up by tidal interactions in close binary systems. We further demonstrate that the M dwarf fast rotators selected from the K2 light curves are significantly more likely to have UV excess and discuss the potential of the K2 mission to identify new nearby young GKM dwarfs on the basis of their fast rotation rates. Finally, we discuss the possible use of local halo stars as fiducial, non-variable sources in the Kepler fields.

The Role of Rotation in Convective Heat Transport: an Application to Low-Mass Stars

Science.gov (United States)

Matilsky, Loren; Hindman, Bradley W.; Toomre, Juri; Featherstone, Nicholas

2018-06-01

It is often supposed that the convection zones (CZs) of low-mass stars are purely adiabatically stratified. This is thought to be because convective motions are extremely efficient at homogenizing entropy within the CZ. For a purely adiabatic fluid layer, only very small temperature variations are required to drive convection, making the amplitude and overall character of the convection highly sensitive to the degree of adiabaticity established in the CZ. The presence of rotation, however, fundamentally changes the dynamics of the CZ; the strong downflow plumes that are required to homogenize entropy are unable to penetrate through the entire fluid layer if they are deflected too soon by the Coriolis force. This talk discusses 3D global models of spherical-shell convection subject to different rotation rates. The simulation results emphasize the possibility that for stars with a high enough rotation rate, large fractions of their CZs are not in fact adiabatically stratified; rather, there is a finite superadiabatic gradient that varies in magnitude with radius, being at a minimum in the CZ’s middle layers. Two consequences of the varying superadiabatic gradient are that the convective amplitudes at the largest length scales are effectively suppressed and that there is a strong latitudinal temperature gradient from a cold equator to a hot pole, which self-consistently drives a thermal wind. A connection is naturally drawn to the Sun’s CZ, which has supergranulation as an upper limit to its convective length scales and isorotational contours along radial lines, which can be explained by the presence of a thermal wind.

A dissipative model of solar system and stability of stationary rotations

Science.gov (United States)

Vilke, V. G.

2009-04-01

In classical model of Solar system the planets are represented by the material points cooperating under the law of universal gravitation. This model remains fair if planet to consider as absolutely rigid spheres with spherical distribution of density. The gravitational potential of such body coincides with potential of a material point, and rotation of each sphere concerning his centre of mass occurs to constant angular velocity. The motion of the centers of mass of spherical planets identically to motion in the appropriate problem of points. Let's notice, that forms of planets of Solar system are close to spherical as dominant forces at formation of planets are gravitational forces to which forces of molecular interaction in substance of a planet counteract. The model of the isolated Solar system submitted in a not indignant condition by homogeneous viscoelastic spheres is considered. Under action of own rotation and tidal gravitational forces the spherical planet changes the shape: there is "flattening" of a planet in a direction of a vector of its angular velocity and formation of tidal bulgs on the lines connecting the centre of a planet with the centers of other planets. From a variational principle of Hamilton the full system of the equations describing movements of the centers of mass of planets, rotations of systems of coordinates, by integrated image connected with planets, and deformations of planets be relative these of systems of coordinates has been obtained. It is supposed, that tidal gravitational, centrifugal and elastic forces result in small change of the spherical form of a planet. In system there are small parameters - inversely proportional of the Young modules of materials of the planets, providing small deformations of planets at influence on them of the centrifugal forces produced by own rotation of planets, and the small tidal deformations arising under influence of gradients of gravitational forces. The method of division of movements

Laboratory tests of catastrophic disruption of rotating bodies

Science.gov (United States)

Morris, A. J. W.; Burchell, M. J.

2017-11-01

The results of catastrophic disruption experiments on static and rotating targets are reported. The experiments used cement spheres of diameter 10 cm as the targets. Impacts were by mm sized stainless steel spheres at speeds of between 1 and 7.75 km s-1. Energy densities (Q) in the targets ranged from 7 to 2613 J kg-1. The experiments covered both the cratering and catastrophic disruption regimes. For static, i.e. non-rotating targets the critical energy density for disruption (Q*, the value of Q when the largest surviving target fragment has a mass equal to one half of the pre-impact target mass) was Q* = 1447 ± 90 J kg-1. For rotating targets (median rotation frequency of 3.44 Hz) we found Q* = 987 ± 349 J kg-1, a reduction of 32% in the mean value. This lower value of Q* for rotating targets was also accompanied by a larger scatter on the data, hence the greater uncertainty. We suggest that in some cases the rotating targets behaved as static targets, i.e. broke up with the same catastrophic disruption threshold, but in other cases the rotation helped the break up causing a lower catastrophic disruption threshold, hence both the lower value of Q* and the larger scatter on the data. The fragment mass distributions after impact were similar in both the static and rotating target experiments with similar slopes.

Static secondary ion mass spectrometry for organic and inorganic molecular analysis in solids

International Nuclear Information System (INIS)

Ham, Rita van; Vaeck, Luc van; Adriaens, Annemie; Adams, Freddy

2003-01-01

The use of mass spectra in secondary ion mass spectrometry (S-SIMS) to characterise the molecular composition of inorganic and organic analytes at the surface of solid samples is investigated. Methodological aspects such as mass resolution, mass accuracy, precision and accuracy of isotope abundance measurements, influence of electron flooding and sample morphology are addressed to assess the possibilities and limitations that the methodology can offer to support the structural assignment of the detected ions. The in-sample and between-sample reproducibility of relative peak intensities under optimised conditions is within 10%, but experimental conditions and local hydration, oxidation or contamination can drastically affect the mass spectra. As a result, the use of fingerprinting for identification becomes compromised. Therefore, the preferred way of interpretation becomes the deductive structural approach, based on the use of the empirical desorption-ionisation model. This approach is shown to allow the molecular composition of inorganic and organic components at the surface of solids to be characterised. Examples of inorganic speciation and identification of organic additives with unknown composition in inorganic salt mixtures are given. The methodology is discussed in terms of foreseen developments with respect to the use of polyatomic primary ions

A black-hole mass measurement from molecular gas kinematics in NGC4526.

Science.gov (United States)

Davis, Timothy A; Bureau, Martin; Cappellari, Michele; Sarzi, Marc; Blitz, Leo

2013-02-21

The masses of the supermassive black holes found in galaxy bulges are correlated with a multitude of galaxy properties, leading to suggestions that galaxies and black holes may evolve together. The number of reliably measured black-hole masses is small, and the number of methods for measuring them is limited, holding back attempts to understand this co-evolution. Directly measuring black-hole masses is currently possible with stellar kinematics (in early-type galaxies), ionized-gas kinematics (in some spiral and early-type galaxies) and in rare objects that have central maser emission. Here we report that by modelling the effect of a black hole on the kinematics of molecular gas it is possible to fit interferometric observations of CO emission and thereby accurately estimate black-hole masses. We study the dynamics of the gas in the early-type galaxy NGC 4526, and obtain a best fit that requires the presence of a central dark object of 4.5(+4.2)(-3.1) × 10(8) solar masses (3σ confidence limit). With the next-generation millimetre-wavelength interferometers these observations could be reproduced in galaxies out to 75 megaparsecs in less than 5 hours of observing time. The use of molecular gas as a kinematic tracer should thus allow one to estimate black-hole masses in hundreds of galaxies in the local Universe, many more than are accessible with current techniques.

THE PERILS OF CLUMPFIND: THE MASS SPECTRUM OF SUBSTRUCTURES IN MOLECULAR CLOUDS

International Nuclear Information System (INIS)

Pineda, Jaime E.; Goodman, Alyssa A.; Rosolowsky, Erik W.

2009-01-01

We study the mass spectrum of substructures in the Perseus Molecular Cloud Complex traced by 13 CO(1-0), finding that dN/dM ∝ M -2.4 for the standard Clumpfind parameters. This result does not agree with the classical dN/dM ∝ M -1.6 . To understand this discrepancy, we study the robustness of the mass spectrum derived using the Clumpfind algorithm. Both two- and three-dimensional Clumpfind versions are tested, using 850 μm dust emission and 13 CO spectral-line observations of Perseus, respectively. The effect of varying threshold is not important, but varying stepsize produces a different effect for two- and three-dimensional cases. In the two-dimensional case, where emission is relatively isolated (associated with only the densest peaks in the cloud), the mass spectrum variability is negligible compared to the mass function fit uncertainties. In the three-dimensional case, however, where the 13 CO emission traces the bulk of the molecular cloud (MC), the number of clumps and the derived mass spectrum are highly correlated with the stepsize used. The distinction between 'two dimension' and 'three dimension' here is more importantly also a distinction between 'sparse' and 'crowded' emission. In any 'crowded' case, Clumpfind should not be used blindly to derive mass functions. Clumpfind's output in the 'crowded' case can still offer a statistical description of emission useful in intercomparisons, but the clump-list should not be treated as a robust region decomposition suitable to generate a physically meaningful mass function. We conclude that the 13 CO mass spectrum depends on the observations resolution, due to the hierarchical structure of the MC.

Molecular mass spectrometry imaging in biomedical and life science research

Czech Academy of Sciences Publication Activity Database

Pól, Jaroslav; Strohalm, Martin; Havlíček, Vladimír; Volný, Michael

2010-01-01

Roč. 134, č. 5 (2010), s. 423-443 ISSN 0948-6143 R&D Projects: GA MŠk LC545; GA ČR GPP206/10/P018 Institutional research plan: CEZ:AV0Z50200510 Keywords : Mass spectrometry * Chemical imaging * Molecular imaging Subject RIV: EE - Microbiology, Virology Impact factor: 4.727, year: 2010

Evolution of magnetized, differentially rotating neutron stars: Simulations in full general relativity

International Nuclear Information System (INIS)

Duez, Matthew D.; Liu, Yuk Tung; Shapiro, Stuart L.; Stephens, Branson C.; Shibata, Masaru

2006-01-01

We study the effects of magnetic fields on the evolution of differentially rotating neutron stars, which can be formed in stellar core collapse or binary neutron star coalescence. Magnetic braking and the magnetorotational instability (MRI) both act on differentially rotating stars to redistribute angular momentum. Simulations of these stars are carried out in axisymmetry using our recently developed codes which integrate the coupled Einstein-Maxwell-MHD equations. We consider stars with two different equations of state (EOS), a gamma-law EOS with Γ=2, and a more realistic hybrid EOS, and we evolve them adiabatically. Our simulations show that the fate of the star depends on its mass and spin. For initial data, we consider three categories of differentially rotating, equilibrium configurations, which we label normal, hypermassive and ultraspinning. Normal configurations have rest masses below the maximum achievable with uniform rotation, and angular momentum below the maximum for uniform rotation at the same rest mass. Hypermassive stars have rest masses exceeding the mass limit for uniform rotation. Ultraspinning stars are not hypermassive, but have angular momentum exceeding the maximum for uniform rotation at the same rest mass. We show that a normal star will evolve to a uniformly rotating equilibrium configuration. An ultraspinning star evolves to an equilibrium state consisting of a nearly uniformly rotating central core, surrounded by a differentially rotating torus with constant angular velocity along magnetic field lines, so that differential rotation ceases to wind the magnetic field. In addition, the final state is stable against the MRI, although it has differential rotation. For a hypermassive neutron star, the MHD-driven angular momentum transport leads to catastrophic collapse of the core. The resulting rotating black hole is surrounded by a hot, massive, magnetized torus undergoing quasistationary accretion, and a magnetic field collimated along

Earth rotation excitation mechanisms derived from geodetic space observations

Science.gov (United States)

Göttl, F.; Schmidt, M.

2009-04-01

Earth rotation variations are caused by mass displacements and motions in the subsystems of the Earth. Via the satellite Gravity and Climate Experiment (GRACE) gravity field variations can be identified which are caused by mass redistribution in the Earth system. Therefore time variable gravity field models (GFZ RL04, CSR RL04, JPL RL04, ITG-Grace03, GRGS, ...) can be used to derive different impacts on Earth rotation. Furthermore satellite altimetry provides accurate information on sea level anomalies (AVISO, DGFI) which are caused by mass and volume changes of seawater. Since Earth rotation is solely affected by mass variations and motions the volume (steric) effect has to be reduced from the altimetric observations in order to infer oceanic contributions to Earth rotation variations. Therefore the steric effect is estimated from physical ocean parameters such as temperature and salinity changes in the oceans (WOA05, Ishii). In this study specific individual geophysical contributions to Earth rotation variations are identified by means of a multitude of accurate geodetic space observations in combination with a realistic error propagation. It will be shown that due to adjustment of altimetric and/or gravimetric solutions the results for polar motion excitations can be improved.

Mass transfer ranking of polylysine, poly-ornithine and poly-methylene-co-guanidine microcapsule membranes using a single low molecular mass marker

Directory of Open Access Journals (Sweden)

Rosinski Stefan

2003-01-01

Full Text Available On the long way to clinical transplantable hybrid systems, comprising of cells, acting as immuno-protected bioreactors microencapsulated in a polymeric matrix and delivering desired factors (proteins, hormones, enzymes etc to the patient's body, an important step is the optimization of the microcapsule. This topic includes the selection of a proper coating membrane which could fulfil, first of all, the mass transfer as well as biocompatibility, stability and durability requirements. Three different membranes from polymerised aminoacids, formed around exactly identical alginate gel cores, were considered, concerning their mass transport properties, as potential candidates in this task. The results of the evaluation of the mass ingress and mass transfer coefficient h for the selected low molecular mass marker, vitamin B12, in poly-L-lysine (HPLL poly-L-ornithine (HPLO and poly-methylene-co-guanidine hydrochloride (HPMCG membrane alginate microcapsules demonstrate the advantage of using the mass transfer approach to a preliminary screening of various microcapsule formulations. Applying a single marker and evaluating mass transfer coefficients can help to quickly rank the investigated membranes and microcapsules according to their permeability. It has been demonstrated that HPLL, HPLO and HPMCG microcapsules differ from each other by a factor of two concerning the rate of low molecular mass marker transport. Interesting differences in mass transfer through the membrane in both directions in-out was also found, which could possibly be related to the membrane asymmetry.

Sub-keV secondary ion mass spectrometry depth profiling: comparison of sample rotation and oxygen flooding

International Nuclear Information System (INIS)

Liu, R.; Wee, A.T.S.

2004-01-01

Following the increasingly stringent requirements in the characterization of sub-micron IC devices, an understanding of the various factors affecting ultra shallow depth profiling in secondary ion mass spectrometry (SIMS) has become crucial. Achieving high depth resolution (of the order of 1 nm) is critical in the semiconductor industry today, and various methods have been developed to optimize depth resolution. In this paper, we will discuss ultra shallow SIMS depth profiling using B and Ge delta-doped Si samples using low energy 0.5 keV O 2 + primary beams. The relationship between depth resolution of the delta layers and surface topography measured by atomic force microscopy (AFM) is studied. The effect of oxygen flooding and sample rotation, used to suppress surface roughening is also investigated. Oxygen flooding was found to effectively suppress roughening and gives the best depth resolution for B, but sample rotation gives the best resolution for Ge. Possible mechanisms for this are discussed

ACYLTRANSFERASE ACTIVITIES OF THE HIGH-MOLECULAR-MASS ESSENTIAL PENICILLIN-BINDING PROTEINS

NARCIS (Netherlands)

ADAM, M; DAMBLON, C; JAMIN, M; ZORZI, W; DUSART, [No Value; GALLENI, M; ELKHARROUBI, A; PIRAS, G; SPRATT, BG; KECK, W; COYETTE, J; GHUYSEN, JM; NGUYENDISTECHE, M; FRERE, JM

1991-01-01

The high-molecular-mass penicillin-binding proteins (HMM-PBPs), present in the cytoplasmic membranes of all eubacteria, are involved in important physiological events such as cell elongation, septation or shape determination. Up to now it has, however, been very difficult or impossible to study the

Atmospheric-pressure solution-cathode glow discharge: A versatile ion source for atomic and molecular mass spectrometry

Energy Technology Data Exchange (ETDEWEB)

Schwartz, Andrew J. [Department of Chemistry, Indiana University, Bloomington, IN, 47405 (United States); Williams, Kelsey L. [Department of Chemistry and Biochemistry, Kent State University, Kent, OH, 44242 (United States); Hieftje, Gary M. [Department of Chemistry, Indiana University, Bloomington, IN, 47405 (United States); Shelley, Jacob T., E-mail: shellj@rpi.edu [Department of Chemistry and Biochemistry, Kent State University, Kent, OH, 44242 (United States); Department of Chemistry and Chemical Biology, Rensselaer Polytechnic Institute, Troy, NY, 12180 (United States)

2017-01-15

An atmospheric-pressure solution-cathode glow discharge (SCGD) has been evaluated as an ion source for atomic, molecular, and ambient desorption/ionization mass spectrometry. The SCGD consists of a direct-current plasma, supported in the ambient air in the absence of gas flows, and sustained upon the surface of a flowing liquid cathode. Analytes introduced in the flowing liquid, as an ambient gas, or as a solid held near the plasma are vaporized and ionized by interactions within or near the discharge. Introduction of acidic solutions containing metal salts produced bare elemental ions as well as H{sub 2}O, OH{sup −} and NO{sub 3}{sup −} adducts. Detection limits for these elemental species ranged from 0.1 to 4 ppb, working curves spanned more than 4 orders of linear dynamic range, and precision varied between 5 and 16% relative standard deviation. Small organic molecules were also efficiently ionized from solution, and both the intact molecular ion and fragments were observed in the resulting SCGD mass spectra. Fragmentation of molecular species was found to be tunable; high discharge currents led to harder ionization, while low discharge currents produced stronger molecular-ion signals. Ambient gases and solids, desorbed by the plasma from a glass probe, were also readily ionized by the SCGD. Indeed, strong analyte signals were obtained from solid samples placed at least 2 cm from the plasma. These findings indicate that the SCGD might be useful also for ambient desorption/ionization mass spectrometry. Combined with earlier results that showed the SCGD is useful for ionization of labile biomolecules, the results here indicate that the SCGD is a highly versatile ion source capable of providing both elemental and molecular mass-spectral information. - Highlights: • Solution-cathode glow discharge used as an ionization source for mass spectrometry. • SCGD-MS can provide atomic as well as intact molecular mass spectra. • Atomic limits of detection range

Effects of rotation on the evolution of primordial stars

Science.gov (United States)

Ekström, S.; Meynet, G.; Chiappini, C.; Hirschi, R.; Maeder, A.

2008-10-01

Context: Although still beyond our observational abilities, Population III stars are interesting objects from many perspectives. They are responsible for the re-ionisation of the inter-galactic medium. They also left their chemical imprint in the early Universe, which can be deciphered in the most metal-poor stars in the halo of our Galaxy. Aims: Rotation has been shown to play a determinant role at very low metallicity, bringing heavy mass loss where almost none was expected. Is this still true when the metallicity strictly equals zero? The aim of our study is to answer this question, and to determine how rotation changes the evolution and the chemical signature of the primordial stars. Methods: We have calculated seven differentially-rotating stellar models at zero metallicity, with masses between 9 and 200 M⊙. For each mass, we also calculated a corresponding model without rotation. The evolution is followed up to the pre-supernova stage. Results: We find that Z=0 models rotate with an internal profile Ω(r) close to local angular momentum conservation, because of a very weak core-envelope coupling. Rotational mixing drives an H-shell boost due to a sudden onset of the CNO cycle in the shell. This boost leads to a high 14N production, which can be as much as 106 times higher than the production of the non-rotating models. Generally, the rotating models produce much more metal than their non-rotating counterparts. The mass loss is very low, even for the models that reach critical velocity during the main sequence. It may however have an impact on the chemical enrichment of the Universe, because some of the stars are supposed to collapse directly into black holes. They would contribute to the enrichment only through their winds. While in that case non-rotating stars would not contribute at all, rotating stars may leave an imprint on their surrounding. Due to the low mass loss and the weak coupling, the core retains a high angular momentum at the end of the

Proteomics perspectives in rotator cuff research

DEFF Research Database (Denmark)

Sejersen, Maria Hee Jung; Frost, Poul; Hansen, Torben Bæk

2015-01-01

Background Rotator cuff tendinopathy including tears is a cause of significant morbidity. The molecular pathogenesis of the disorder is largely unknown. This review aimed to present an overview of the literature on gene expression and protein composition in human rotator cuff tendinopathy and other...... studies on objectively quantified differential gene expression and/or protein composition in human rotator cuff tendinopathy and other tendinopathies as compared to control tissue. Results We identified 2199 studies, of which 54 were included; 25 studies focussed on rotator cuff or biceps tendinopathy......, which only allowed simultaneous quantification of a limited number of prespecified mRNA molecules or proteins, several proteins appeared to be differentially expressed/represented in rotator cuff tendinopathy and other tendinopathies. No proteomics studies fulfilled our inclusion criteria, although...

WHY ARE RAPIDLY ROTATING M DWARFS IN THE PLEIADES SO (INFRA)RED? NEW PERIOD MEASUREMENTS CONFIRM ROTATION-DEPENDENT COLOR OFFSETS FROM THE CLUSTER SEQUENCE

Energy Technology Data Exchange (ETDEWEB)

Covey, Kevin R. [Department of Physics and Astronomy, Western Washington University, Bellingham WA 98225-9164 (United States); Agüeros, Marcel A.; Liu, Jiyu [Department of Astronomy, Columbia University, 550 West 120th Street, New York, NY 10027 (United States); Law, Nicholas M. [Department of Physics and Astronomy, University of North Carolina, Chapel Hill, NC 27599-3255 (United States); Ahmadi, Aida [Max Planck Institute for Radioastronomy, Auf dem Hügel 69, D-53121 Bonn (Germany); Laher, Russ; Surace, Jason [Spitzer Science Center, California Institute of Technology, Pasadena, CA 91125 (United States); Levitan, David [Division of Physics, Mathematics, and Astronomy, California Institute of Technology, Pasadena, CA 91125 (United States); Sesar, Branimir, E-mail: kevin.covey@wwu.edu [Max Planck Institute for Astronomy, Königstuhl 17, D-69117 Heidelberg (Germany)

2016-05-10

Stellar rotation periods ( P {sub rot}) measured in open clusters have proved to be extremely useful for studying stars’ angular momentum content and rotationally driven magnetic activity, which are both age- and mass-dependent processes. While P {sub rot} measurements have been obtained for hundreds of solar-mass members of the Pleiades, measurements exist for only a few low-mass (<0.5 M {sub ⊙}) members of this key laboratory for stellar evolution theory. To fill this gap, we report P {sub rot} for 132 low-mass Pleiades members (including nearly 100 with M ≤ 0.45 M {sub ⊙}), measured from photometric monitoring of the cluster conducted by the Palomar Transient Factory in late 2011 and early 2012. These periods extend the portrait of stellar rotation at 125 Myr to the lowest-mass stars and re-establish the Pleiades as a key benchmark for models of the transport and evolution of stellar angular momentum. Combining our new P {sub rot} with precise BVIJHK photometry reported by Stauffer et al. and Kamai et al., we investigate known anomalies in the photometric properties of K and M Pleiades members. We confirm the correlation detected by Kamai et al. between a star's P {sub rot} and position relative to the main sequence in the cluster's color–magnitude diagram. We find that rapid rotators have redder ( V − K ) colors than slower rotators at the same V , indicating that rapid and slow rotators have different binary frequencies and/or photospheric properties. We find no difference in the photometric amplitudes of rapid and slow rotators, indicating that asymmetries in the longitudinal distribution of starspots do not scale grossly with rotation rate.

Rotational reorganization of doped cholesteric liquid crystalline films

NARCIS (Netherlands)

Eelkema, R.; M. Pollard, M.; Katsonis, N.; Vicario, J.; J. Broer, D.; Feringa, B.L.

2006-01-01

In this paper an unprecedented rotational reorganization of cholesteric liquid crystalline films is described. This rotational reorganization results from the conversion of a chiral molecular motor dopant to an isomer with a different helical twisting power, leading to a change in the cholesteric

Rotation curve of our galaxy; how well do we know it

Energy Technology Data Exchange (ETDEWEB)

Pismis, P [Universidad Nacional Autonoma de Mexico, Mexico City. Inst. de Astronomia

1981-01-01

Following an historical sketch of the relevant circumstances leading to the formulation of the rotation of the galaxy, the differential rotation formulae are recalled. The necessity of obtaining an overall rotation curve at the advent of radioastronomy is stressed; only through the knowledge of such a curve can the kinematic distances of H I profiles, H II regions and molecular clouds be obtained. The existence of the deviations from a smooth rotation curve are pointed out; in particular it is shown that the curve exhibits ''waves'', a phenomenon at present known to be rather common in spiral galaxies. Maxima and minima correspond to arm and interarm regions, respectively. The interpretation of these waves as population effects suggested earlier by this author is emphasized once again. Recent observations of H II regions and CO clouds suggest that the sun is located close to the minimum of a wave. Another irregularity, the presumed difference in the north and south rotation curves, is also briefly discussed. Based on a plausible assumption that the spiral structure can be represented by a pair of symmetrically located logarithmic spirals, it is shown that if waves do indeed exist - irrespective of the cause of such waves - the rotation curve in our galaxy and in others will be a function of direction from the galactic center. Unlike external galaxies, from the location of the sun we are not able to obtain the rotation velocity in all directions. An average rotation curve where the waves are smoothed out can be obtained from the mean over directions within a central angle of 180/sup 0/. However, from our eccentric position in the galaxy we can obtain information on the rotation law at best within a central angle of 120/sup 0/. Finally, it is emphazied that the rotation curve discussed usually is that of the fastest rotating system, the population I, which contains not more than 10% of the total mass of the galaxy. The rotation curve is, therefore, not unique.

微分散轮盘萃取塔传质特性研究%Mass transfer characteristics for micropore dispersion rotating impeller column

Institute of Scientific and Technical Information of China (English)

马岩龙; 辛杨杨; 李根; 叶世超

2013-01-01

研究了微分散轮盘塔萃取磷酸的传质规律,考察了转速、相比、停留时间对萃取率的影响,并根据质量守恒,建立了微分散轮盘塔的传质模型并与实验结果进行对比.结果表明,萃取率随转速、相比和停留时间的增加呈上升趋势,其中转速、相比对萃取率的影响较为明显.模型的计算结果与实验结果基本吻合,误差在20％以内.%The mass transfer characteristic of micropore dispersion rotating impering column (MDRIC) is studied. The influencing factors on MDRIC such as rotational speed,phase ratio and residence time,are researched. According to the law of conservation of mass,the mathematic model of MDRIC is established. The results show that extract efficiency tends to increase with increasing rotational speed, phase ratio and residence time. And rotational speed and phase ratio have greater effect on extract efficiency. The results calculated by the proposed agree well with the experimental data and the errors are within 20% .

Main sequence mass loss

International Nuclear Information System (INIS)

Brunish, W.M.; Guzik, J.A.; Willson, L.A.; Bowen, G.

1987-01-01

It has been hypothesized that variable stars may experience mass loss, driven, at least in part, by oscillations. The class of stars we are discussing here are the δ Scuti variables. These are variable stars with masses between about 1.2 and 2.25 M/sub θ/, lying on or very near the main sequence. According to this theory, high rotation rates enhance the rate of mass loss, so main sequence stars born in this mass range would have a range of mass loss rates, depending on their initial rotation velocity and the amplitude of the oscillations. The stars would evolve rapidly down the main sequence until (at about 1.25 M/sub θ/) a surface convection zone began to form. The presence of this convective region would slow the rotation, perhaps allowing magnetic braking to occur, and thus sharply reduce the mass loss rate. 7 refs

Excited states rotational effects on the behavior of excited molecules

CERN Document Server

Lim, Edward C

2013-01-01

Excited States, Volume 7 is a collection of papers that discusses the excited states of molecules. The first paper reviews the rotational involvement in intra-molecular in vibrational redistribution. This paper analyzes the vibrational Hamiltonian as to its efficacy in detecting the manifestations of intra-molecular state-mixing in time-resolved and time-averaged spectroscopic measurements. The next paper examines the temporal behavior of intra-molecular vibration-rotation energy transfer (IVRET) and the effects of IVRET on collision, reaction, and the decomposition processes. This paper also

Effects of rotation on MHD flow past an accelerated isothermal vertical plate with heat and mass diffusion

Directory of Open Access Journals (Sweden)

Muthucumaraswamy R.

2010-01-01

Full Text Available An exact analysis of rotation effects on unsteady flow of an incompressible and electrically conducting fluid past a uniformly accelerated infinite isothermal vertical plate, under the action of transversely applied magnetic field has been presented. The plate temperature is raised to Tw and the concentration level near the plate is also raised to C′w . The dimensionless governing equations are solved using Laplace-transform technique. The velocity profiles, temperature and concentration are studied for different physical parameters like thermal Grashof number, mass Grashof number, Schmidt number, Prandtl number and time. It is observed that the velocity increases with increasing values of thermal Grashof number or mass Grashof number. It is also observed that the velocity increases with decreasing magnetic field parameter.

Dynamics of molecular superrotors in an external magnetic field

Science.gov (United States)

Korobenko, Aleksey; Milner, Valery

2015-08-01

We excite diatomic oxygen and nitrogen to high rotational states with an optical centrifuge and study their dynamics in an external magnetic field. Ion imaging is employed to directly visualize, and follow in time, the rotation plane of the molecular superrotors. The two different mechanisms of interaction between the magnetic field and the molecular angular momentum in paramagnetic oxygen and non-magnetic nitrogen lead to qualitatively different behaviour. In nitrogen, we observe the precession of the molecular angular momentum around the field vector. In oxygen, strong spin-rotation coupling results in faster and richer dynamics, encompassing the splitting of the rotation plane into three separate components. As the centrifuged molecules evolve with no significant dispersion of the molecular wave function, the observed magnetic interaction presents an efficient mechanism for controlling the plane of molecular rotation.

The Hα Emission of Nearby M Dwarfs and its Relation to Stellar Rotation

Science.gov (United States)

Newton, Elisabeth R.; Irwin, Jonathan; Charbonneau, David; Berlind, Perry; Calkins, Michael L.; Mink, Jessica

2017-01-01

The high-energy emission from low-mass stars is mediated by the magnetic dynamo. Although the mechanisms by which fully convective stars generate large-scale magnetic fields are not well understood, it is clear that, as for solar-type stars, stellar rotation plays a pivotal role. We present 270 new optical spectra of low-mass stars in the Solar Neighborhood. Combining our observations with those from the literature, our sample comprises 2202 measurements or non-detections of Hα emission in nearby M dwarfs. This includes 466 with photometric rotation periods. Stars with masses between 0.1 and 0.6 M⊙ are well-represented in our sample, with fast and slow rotators of all masses. We observe a threshold in the mass-period plane that separates active and inactive M dwarfs. The threshold coincides with the fast-period edge of the slowly rotating population, at approximately the rotation period at which an era of rapid rotational evolution appears to cease. The well-defined active/inactive boundary indicates that Hα activity is a useful diagnostic for stellar rotation period, e.g., for target selection for exoplanet surveys, and we present a mass-period relation for inactive M dwarfs. We also find a significant, moderate correlation between LHα/Lbol and variability amplitude: more active stars display higher levels of photometric variability. Consistent with previous work, our data show that rapid rotators maintain a saturated value of LHα/Lbol. Our data also show a clear power-law decay in LHα/Lbol with Rossby number for slow rotators, with an index of -1.7 ± 0.1.

Thin accretion disk signatures of slowly rotating black holes in Horava gravity

International Nuclear Information System (INIS)

Harko, Tiberiu; Kovacs, Zoltan; Lobo, Francisco S N

2011-01-01

In this work, we consider the possibility of observationally testing Horava gravity by using the accretion disk properties around slowly rotating black holes of the Kehagias-Sfetsos (KS) solution in asymptotically flat spacetimes. The energy flux, temperature distribution, the emission spectrum as well as the energy conversion efficiency are obtained, and compared to the standard slowly rotating general relativistic Kerr solution. Comparing the mass accretion in a slowly rotating KS geometry in Horava gravity with the one of a slowly rotating Kerr black hole, we verify that the intensity of the flux emerging from the disk surface is greater for the slowly rotating Kehagias-Sfetsos solution than for rotating black holes with the same geometrical mass and accretion rate. We also present the conversion efficiency of the accreting mass into radiation, and show that the rotating KS solution provides a much more efficient engine for the transformation of the accreting mass into radiation than the Kerr black holes. Thus, distinct signatures appear in the electromagnetic spectrum, leading to the possibility of directly testing Horava gravity models by using astrophysical observations of the emission spectra from accretion disks.

Thin accretion disk signatures of slowly rotating black holes in Horava gravity

Energy Technology Data Exchange (ETDEWEB)

Harko, Tiberiu; Kovacs, Zoltan [Department of Physics and Center for Theoretical and Computational Physics, University of Hong Kong, Pok Fu Lam Road (Hong Kong); Lobo, Francisco S N, E-mail: harko@hkucc.hku.hk, E-mail: zkovacs@hku.hk, E-mail: flobo@cii.fc.ul.pt [Centro de Astronomia e Astrofisica da Universidade de Lisboa, Campo Grande, Ed. C8 1749-016 Lisboa (Portugal)

2011-08-21

In this work, we consider the possibility of observationally testing Horava gravity by using the accretion disk properties around slowly rotating black holes of the Kehagias-Sfetsos (KS) solution in asymptotically flat spacetimes. The energy flux, temperature distribution, the emission spectrum as well as the energy conversion efficiency are obtained, and compared to the standard slowly rotating general relativistic Kerr solution. Comparing the mass accretion in a slowly rotating KS geometry in Horava gravity with the one of a slowly rotating Kerr black hole, we verify that the intensity of the flux emerging from the disk surface is greater for the slowly rotating Kehagias-Sfetsos solution than for rotating black holes with the same geometrical mass and accretion rate. We also present the conversion efficiency of the accreting mass into radiation, and show that the rotating KS solution provides a much more efficient engine for the transformation of the accreting mass into radiation than the Kerr black holes. Thus, distinct signatures appear in the electromagnetic spectrum, leading to the possibility of directly testing Horava gravity models by using astrophysical observations of the emission spectra from accretion disks.

Wilson loops from multicentre and rotating branes, mass gaps and phase structure in gauge theories

CERN Document Server

Brandhuber, A.

1999-01-01

Within the AdS/CFT correspondence we use multicentre D3-brane metrics to investigate Wilson loops and compute the associated heavy quark-antiquark potentials for the strongly coupled SU(N) super-Yang-Mills gauge theory, when the gauge symmetry is broken by the expectation values of the scalar fields. For the case of a uniform distribution of D3-branes over a disc, we find that there exists a maximum separation beyond which there is no force between the quark and the antiquark, i.e. the screening is complete. We associate this phenomenon with the possible existence of a mass gap in the strongly coupled gauge theory. In the finite-temperature case, when the corresponding supergravity solution is a rotating D3-brane solution, there is a class of potentials interpolating between a Coulombic and a confining behaviour. However, above a certain critical value of the mass parameter, the potentials exhibit a behaviour characteristic of statistical systems undergoing phase transitions. The physical path preserves the c...

General circular velocity relation of a test particle in a 3D gravitational potential: application to the rotation curves analysis and total mass determination of UGC 8490 and UGC 9753

Science.gov (United States)

Repetto, P.; Martínez-García, E. E.; Rosado, M.; Gabbasov, R.

2018-06-01

In this paper, we derive a novel circular velocity relation for a test particle in a 3D gravitational potential applicable to every system of curvilinear coordinates, suitable to be reduced to orthogonal form. As an illustration of the potentiality of the determined circular velocity expression, we perform the rotation curves analysis of UGC 8490 and UGC 9753 and we estimate the total and dark matter mass of these two galaxies under the assumption that their respective dark matter haloes have spherical, prolate, and oblate spheroidal mass distributions. We employ stellar population synthesis models and the total H I density map to obtain the stellar and H I+He+metals rotation curves of both galaxies. The subtraction of the stellar plus gas rotation curves from the observed rotation curves of UGC 8490 and UGC 9753 generates the dark matter circular velocity curves of both galaxies. We fit the dark matter rotation curves of UGC 8490 and UGC 9753 through the newly established circular velocity formula specialized to the spherical, prolate, and oblate spheroidal mass distributions, considering the Navarro, Frenk, and White, Burkert, Di Cintio, Einasto, and Stadel dark matter haloes. Our principal findings are the following: globally, cored dark matter profiles Burkert and Einasto prevail over cuspy Navarro, Frenk, and White, and Di Cintio. Also, spherical/oblate dark matter models fit better the dark matter rotation curves of both galaxies than prolate dark matter haloes.

3D Realistic Radiative Hydrodynamic Modeling of a Moderate-Mass Star: Effects of Rotation

Science.gov (United States)

Kitiashvili, Irina; Kosovichev, Alexander G.; Mansour, Nagi N.; Wray, Alan A.

2018-01-01

Recent progress in stellar observations opens new perspectives in understanding stellar evolution and structure. However, complex interactions in the turbulent radiating plasma together with effects of magnetic fields and rotation make inferences of stellar properties uncertain. The standard 1D mixing-length-based evolutionary models are not able to capture many physical processes of stellar interior dynamics, but they provide an initial approximation of the stellar structure that can be used to initialize 3D time-dependent radiative hydrodynamics simulations, based on first physical principles, that take into account the effects of turbulence, radiation, and others. In this presentation we will show simulation results from a 3D realistic modeling of an F-type main-sequence star with mass 1.47 Msun, in which the computational domain includes the upper layers of the radiation zone, the entire convection zone, and the photosphere. The simulation results provide new insight into the formation and properties of the convective overshoot region, the dynamics of the near-surface, highly turbulent layer, the structure and dynamics of granulation, and the excitation of acoustic and gravity oscillations. We will discuss the thermodynamic structure, oscillations, and effects of rotation on the dynamics of the star across these layers.

New BVI C photometry of low-mass pleiades stars: Exploring the effects of rotation on broadband colors

International Nuclear Information System (INIS)

Kamai, Brittany L.; Stassun, Keivan G.; Vrba, Frederick J.; Stauffer, John R.

2014-01-01

We present new BVI C photometry for 350 Pleiades proper motion members with 9 < V ≲ 17. Importantly, our new catalog includes a large number of K- and early M-type stars, roughly doubling the number of low-mass stars with well-calibrated Johnson/Cousins photometry in this benchmark cluster. We combine our new photometry with existing photometry from the literature to define a purely empirical isochrone at Pleiades age (≈100 Myr) extending from V = 9 to 17. We use the empirical isochrone to identify 48 new probable binaries and 14 likely nonmembers. The photometrically identified single stars are compared against their expected positions in the color-magnitude diagram (CMD). At 100 Myr, the mid K and early M stars are predicted to lie above the zero-age main sequence (ZAMS) having not yet reached the ZAMS. We find in the B – V versus V CMD that mid K and early M dwarfs are instead displaced below (or blueward of) the ZAMS. Using the stars' previously reported rotation periods, we find a highly statistically significant correlation between rotation period and CMD displacement, in the sense that the more rapidly rotating stars have the largest displacements in the B – V CMD.

The kinetic energy operator for distance-dependent effective nuclear masses: Derivation for a triatomic molecule.

Science.gov (United States)

Khoma, Mykhaylo; Jaquet, Ralph

2017-09-21

The kinetic energy operator for triatomic molecules with coordinate or distance-dependent nuclear masses has been derived. By combination of the chain rule method and the analysis of infinitesimal variations of molecular coordinates, a simple and general technique for the construction of the kinetic energy operator has been proposed. The asymptotic properties of the Hamiltonian have been investigated with respect to the ratio of the electron and proton mass. We have demonstrated that an ad hoc introduction of distance (and direction) dependent nuclear masses in Cartesian coordinates preserves the total rotational invariance of the problem. With the help of Wigner rotation functions, an effective Hamiltonian for nuclear motion can be derived. In the derivation, we have focused on the effective trinuclear Hamiltonian. All necessary matrix elements are given in closed analytical form. Preliminary results for the influence of non-adiabaticity on vibrational band origins are presented for H 3 + .

Reaction of low-molecular-mass organoselenium compounds (and their sulphur analogues) with inflammation-associated oxidants

DEFF Research Database (Denmark)

Carroll, L.; Davies, Michael J.; Pattison, D. I.

2015-01-01

Selenium is an essential trace element in mammals, with the majority specifically encoded as seleno-L-cysteine into a range of selenoproteins. Many of these proteins play a key role in modulating oxidative stress, via either direct detoxification of biological oxidants, or repair of oxidised...... the chemistry of low-molecular-mass organoselenium compounds (e.g. selenoethers, diselenides and selenols) with inflammatory oxidants, with a particular focus on the reaction kinetics and product studies, with the differences in reactivity between selenium and sulphur analogues described in the selected...... examples. These data provide insight into the therapeutic potential of low-molecular-mass selenium-containing compounds to modulate the activity of both radical and molecular oxidants and provide protection against inflammation-induced damage. Progress in their therapeutic development (including modulation...

Applications of free-jet, molecular beam, mass spectrometric sampling: Proceedings

Energy Technology Data Exchange (ETDEWEB)

Milne, T. [ed.

1995-03-01

Over the past 35 years, the study of die behavior and uses of free-jet expansions for laboratory experiments has greatly expanded and matured. Not the least of these uses of free-jet expansions, is that of extractive sampling from high temperature, reactive systems. The conversion of the free-jet expanded gases to molecular flow for direct introduction into the ion source of a mass spectrometer offers several advantages, to be illustrated in these pages. Two meetings on this subject were held in 1965 and 1972 in Missouri, sponsored by the Office of Naval Research and Midwest Research Institute. At these meetings rarefied gas dynamicists came together with scientists using free-jet sampling for analytical purposes. After much too long a time, this workshop was convened to bring together modem practitioners of FJMBS (Free-jet, Molecular-beam, mass spectrometry) and long time students of the free-jet process itself, to assess the current state of the art and to forge a community that can foster the development of this novel analytical approach. This proceedings is comprised of 38 individually submitted papers. Individual papers are indexed separately on the Energy Data Base.

Single-Molecule Rotational Switch on a Dangling Bond Dimer Bearing.

Science.gov (United States)

Godlewski, Szymon; Kawai, Hiroyo; Kolmer, Marek; Zuzak, Rafał; Echavarren, Antonio M; Joachim, Christian; Szymonski, Marek; Saeys, Mark

2016-09-27

One of the key challenges in the construction of atomic-scale circuits and molecular machines is to design molecular rotors and switches by controlling the linear or rotational movement of a molecule while preserving its intrinsic electronic properties. Here, we demonstrate both the continuous rotational switching and the controlled step-by-step single switching of a trinaphthylene molecule adsorbed on a dangling bond dimer created on a hydrogen-passivated Ge(001):H surface. The molecular switch is on-surface assembled when the covalent bonds between the molecule and the dangling bond dimer are controllably broken, and the molecule is attached to the dimer by long-range van der Waals interactions. In this configuration, the molecule retains its intrinsic electronic properties, as confirmed by combined scanning tunneling microscopy/spectroscopy (STM/STS) measurements, density functional theory calculations, and advanced STM image calculations. Continuous switching of the molecule is initiated by vibronic excitations when the electrons are tunneling through the lowest unoccupied molecular orbital state of the molecule. The switching path is a combination of a sliding and rotation motion over the dangling bond dimer pivot. By carefully selecting the STM conditions, control over discrete single switching events is also achieved. Combined with the ability to create dangling bond dimers with atomic precision, the controlled rotational molecular switch is expected to be a crucial building block for more complex surface atomic-scale devices.

Dynamics of molecular superrotors in an external magnetic field

International Nuclear Information System (INIS)

Korobenko, Aleksey; Milner, Valery

2015-01-01

We excite diatomic oxygen and nitrogen to high rotational states with an optical centrifuge and study their dynamics in an external magnetic field. Ion imaging is employed to directly visualize, and follow in time, the rotation plane of the molecular superrotors. The two different mechanisms of interaction between the magnetic field and the molecular angular momentum in paramagnetic oxygen and non-magnetic nitrogen lead to qualitatively different behaviour. In nitrogen, we observe the precession of the molecular angular momentum around the field vector. In oxygen, strong spin–rotation coupling results in faster and richer dynamics, encompassing the splitting of the rotation plane into three separate components. As the centrifuged molecules evolve with no significant dispersion of the molecular wave function, the observed magnetic interaction presents an efficient mechanism for controlling the plane of molecular rotation. (paper)

Symmetries and rotational line intensities in diatomic molecules

International Nuclear Information System (INIS)

Veseth, L.

1986-02-01

The general theory of angular momenta and the full rotation group is used to reconsider the theory of the intensity factors of rotational lines in the spectra of diatomic molecules (Hoenl-London factors). It is shown that the use of the rotational symmetry (rotation matrices) leads to compact derivations of the symmetry properties of the molecular wave functions, as well as the matrix elements of the transitions operator. The present work is restricted to spin-allowed electric dipole transitions, and the general sum rule characteristic of this type of transitions is rederived by use of the general angular momentum theory. A main purpose of the present work has been to provide a unified theoretical basis for exact numerical computations of Hoenl-London factors for all types of spin-allowed electric dipole transitions in diatomic molecules. The computed Hoenl-London factors are then in the next step intended to be the basis for construction of synthetic molecular band spectra, with particular applications to upper atmosperic emissions (aurora)

Intact molecular characterization of cord factor (trehalose 6,6'-dimycolate) from nine species of mycobacteria by MALDI-TOF mass spectrometry.

Science.gov (United States)

Fujita, Yukiko; Naka, Takashi; McNeil, Michael R; Yano, Ikuya

2005-10-01

Cord factor (trehalose 6,6'-dimycolate, TDM) is an unique glycolipid with a trehalose and two molecules of mycolic acids in the mycobacterial cell envelope. Since TDM consists of two molecules of very long branched-chain 3-hydroxy fatty acids, the molecular mass ranges widely and in a complex manner. To characterize the molecular structure of TDM precisely and simply, an attempt was made to determine the mycolic acid subclasses of TDM and the molecular species composition of intact TDM by matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF) mass spectrometry for the first time. The results showed that less than 1 microg mycolic acid methyl ester of TDM from nine representative species of mycobacteria and TDM from the same species was sufficient to obtain well-resolved mass spectra composed of pseudomolecular ions [M+Na]+. Although the mass ion distribution was extremely diverse, the molecular species of each TDM was identified clearly by constructing a molecular ion matrix consisting of the combination of two molecules of mycolic acids. The results showed a marked difference in the molecular structure of TDM among mycobacterial species and subspecies. TDM from Mycobacterium tuberculosis (H37Rv and Aoyama B) showed a distinctive mass pattern and consisted of over 60 molecular ions with alpha-, methoxy- and ketomycolate. TDM from Mycobacterium bovis BCG Tokyo 172 similarly showed over 35 molecular ions, but that from M. bovis BCG Connaught showed simpler molecular ion clusters consisting of less than 35 molecular species due to a complete lack of methoxymycolate. Mass ions due to TDM from M. bovis BCG Connaught and Mycobacterium kansasii showed a biphasic distribution, but the two major peaks of TDM from M. kansasii were shifted up two or three carbon units higher compared with M. bovis BCG Connaught. Within the rapid grower group, in TDM consisting of alpha-, keto- and wax ester mycolate from Mycobacterium phlei and Mycobacterium flavescens, the

Control of π-Electron Rotations in Chiral Aromatic Molecules Using Intense Laser Pulses

Science.gov (United States)

Kanno, Manabu; Kono, Hirohiko; Fujimura, Yuichi

Our recent theoretical studies on laser-induced π-electron rotations in chiral aromatic molecules are reviewed. π electrons of a chiral aromatic molecule can be rotated along its aromatic ring by a nonhelical, linearly polarized laser pulse. An ansa aromatic molecule with a six-membered ring, 2,5-dichloro[n](3,6) pyrazinophane, which belongs to a planar-chiral molecule group, and its simplified molecule 2,5-dichloropyrazine are taken as model molecules. Electron wavepacket simulations in the frozen-molecular-vibration approximation show that the initial direction of π-electron rotation depends on the polarization direction of a linearly polarized laser pulse applied. Consecutive unidirectional rotation can be achieved by applying a sequence of linearly polarized pump and dump pulses to prevent reverse rotation. Optimal control simulations of π-electron rotation show that another controlling factor for unidirectional rotation is the relative optical phase between the different frequency components of an incident pulse in addition to photon polarization direction. Effects of nonadiabatic coupling between π-electron rotation and molecular vibrations are also presented, where the constraints of the frozen approximation are removed. The angular momentum gradually decays mainly owing to nonadiabatic coupling, while the vibrational amplitudes greatly depend on their rotation direction. This suggests that the direction of π-electron rotation on an attosecond timescale can be identified by detecting femtosecond molecular vibrations.

A Simple and Efficient Numerical Method for Computing the Dynamics of Rotating Bose--Einstein Condensates via Rotating Lagrangian Coordinates

KAUST Repository

Bao, Weizhu

2013-01-01

We propose a simple, efficient, and accurate numerical method for simulating the dynamics of rotating Bose-Einstein condensates (BECs) in a rotational frame with or without longrange dipole-dipole interaction (DDI). We begin with the three-dimensional (3D) Gross-Pitaevskii equation (GPE) with an angular momentum rotation term and/or long-range DDI, state the twodimensional (2D) GPE obtained from the 3D GPE via dimension reduction under anisotropic external potential, and review some dynamical laws related to the 2D and 3D GPEs. By introducing a rotating Lagrangian coordinate system, the original GPEs are reformulated to GPEs without the angular momentum rotation, which is replaced by a time-dependent potential in the new coordinate system. We then cast the conserved quantities and dynamical laws in the new rotating Lagrangian coordinates. Based on the new formulation of the GPE for rotating BECs in the rotating Lagrangian coordinates, a time-splitting spectral method is presented for computing the dynamics of rotating BECs. The new numerical method is explicit, simple to implement, unconditionally stable, and very efficient in computation. It is spectral-order accurate in space and second-order accurate in time and conserves the mass on the discrete level. We compare our method with some representative methods in the literature to demonstrate its efficiency and accuracy. In addition, the numerical method is applied to test the dynamical laws of rotating BECs such as the dynamics of condensate width, angular momentum expectation, and center of mass, and to investigate numerically the dynamics and interaction of quantized vortex lattices in rotating BECs without or with the long-range DDI.Copyright © by SIAM.

Successive X-class Flares and Coronal Mass Ejections Driven by Shearing Motion and Sunspot Rotation in Active Region NOAA 12673

Science.gov (United States)

Yan, X. L.; Wang, J. C.; Pan, G. M.; Kong, D. F.; Xue, Z. K.; Yang, L. H.; Li, Q. L.; Feng, X. S.

2018-03-01

We present a clear case study on the occurrence of two successive X-class flares, including a decade-class flare (X9.3) and two coronal mass ejections (CMEs) triggered by shearing motion and sunspot rotation in active region NOAA 12673 on 2017 September 6. A shearing motion between the main sunspots with opposite polarities began on September 5 and lasted even after the second X-class flare on September 6. Moreover, the main sunspot with negative polarity rotated around its umbral center, and another main sunspot with positive polarity also exhibited a slow rotation. The sunspot with negative polarity at the northwest of the active region also began to rotate counterclockwise before the onset of the first X-class flare, which is related to the formation of the second S-shaped structure. The successive formation and eruption of two S-shaped structures were closely related to the counterclockwise rotation of the three sunspots. The existence of a flux rope is found prior to the onset of two flares by using nonlinear force-free field extrapolation based on the vector magnetograms observed by Solar Dynamics Observatory/Helioseismic and Magnetic Image. The first flux rope corresponds to the first S-shaped structures mentioned above. The second S-shaped structure was formed after the eruption of the first flux rope. These results suggest that a shearing motion and sunspot rotation play an important role in the buildup of the free energy and the formation of flux ropes in the corona that produces solar flares and CMEs.

A circumstellar molecular gas structure associated with the massive young star Cepheus A-HW 2

Science.gov (United States)

Torrelles, Jose M.; Rodriguez, Luis F.; Canto, Jorge; Ho, Paul T. P.

1993-01-01

We report the detection via VLA-D observations of ammonia of a circumstellar high-density molecular gas structure toward the massive young star related to the object Cepheus A-HW 2, a firm candidate for the powering source of the high-velocity molecular outflow in the region. We suggest that the circumstellar molecular gas structure could be related to the circumstellar disk previously suggested from infrared, H2O, and OH maser observations. We consider as a plausible scenario that the double radio continuum source of HW 2 could represent the ionized inner part of the circumstellar disk, in the same way as proposed to explain the double radio source in L1551. The observed motions in the circumstellar molecular gas can be produced by bound motions (e.g., infall or rotation) around a central mass of about 10-20 solar masses (B0.5 V star or earlier).

Molecular theory of mass transfer kinetics and dynamics at gas-water interface

International Nuclear Information System (INIS)

Morita, Akihiro; Garrett, Bruce C

2008-01-01

The mass transfer mechanism across gas-water interface is studied with molecular dynamics (MD) simulation. The MD results provide a robust and qualitatively consistent picture to previous studies about microscopic aspects of mass transfer, including interface structure, free energy profiles for the uptake, scattering dynamics and energy relaxation of impinging molecules. These MD results are quantitatively compared with experimental uptake measurements, and we find that the apparent inconsistency between MD and experiment could be partly resolved by precise decomposition of the observed kinetics into elemental steps. Remaining issues and future perspectives toward constructing a comprehensive multi-scale description of interfacial mass transfer are summarized.

Molecular dynamics simulation of the rotational order-disorder phase transition in calcite

International Nuclear Information System (INIS)

Kawano, Jun; Miyake, Akira; Shimobayashi, Norimasa; Kitamura, Masao

2009-01-01

Molecular dynamics (MD) simulation of calcite was carried out with the interatomic potential model based on ab initio calculations to elucidate the phase relations for calcite polymorphs and the mechanism of the rotational order-disorder transition of calcite at high temperature at the atomic scale. From runs of MD calculations with increasing temperature within a pressure range of 1 atm and 2 GPa, the transition of calcite with R3-barc symmetry into a high-temperature phase with R3-barm symmetry was reproduced. In the high-temperature R3-barm phase, CO 3 groups vibrate with large amplitudes either around the original positions in the R3-barc structure or around other positions rotated ± 60 deg., and their positions change continuously with time. Moreover, contrary to the suggestion of previous investigators, the motion of CO 3 groups is not two-dimensional. At 1 atm, the transition between R3-barc and R3-barm is first order in character. Upon increasing temperature at high pressure, however, first a first-order isosymmetric phase transition between the R3-barc phases occurs, which corresponds to the start of ± 120 deg. flipping of CO 3 groups. Then, at higher temperatures, the transition of R3-barc to R3-barm phases happens, which can be considered second order. This set of two types of transitions at elevated pressure can be characterized by the appearance of an 'intermediate' R3-barc phase between the stable region of calcite and the high-temperature R3-barm phase, which may correspond to the CaCO 3 -IV phase.

Calculation of spherical harmonics and Wigner d functions by FFT. Applications to fast rotational matching in molecular replacement and implementation into AMoRe.

Science.gov (United States)

Trapani, Stefano; Navaza, Jorge

2006-07-01

The FFT calculation of spherical harmonics, Wigner D matrices and rotation function has been extended to all angular variables in the AMoRe molecular replacement software. The resulting code avoids singularity issues arising from recursive formulas, performs faster and produces results with at least the same accuracy as the original code. The new code aims at permitting accurate and more rapid computations at high angular resolution of the rotation function of large particles. Test calculations on the icosahedral IBDV VP2 subviral particle showed that the new code performs on the average 1.5 times faster than the original code.

The KMOS3D Survey: Rotating Compact Star-forming Galaxies and the Decomposition of Integrated Line Widths

Science.gov (United States)

Wisnioski, E.; Mendel, J. T.; Förster Schreiber, N. M.; Genzel, R.; Wilman, D.; Wuyts, S.; Belli, S.; Beifiori, A.; Bender, R.; Brammer, G.; Chan, J.; Davies, R. I.; Davies, R. L.; Fabricius, M.; Fossati, M.; Galametz, A.; Lang, P.; Lutz, D.; Nelson, E. J.; Momcheva, I.; Rosario, D.; Saglia, R.; Tacconi, L. J.; Tadaki, K.; Übler, H.; van Dokkum, P. G.

2018-03-01

Using integral field spectroscopy, we investigate the kinematic properties of 35 massive centrally dense and compact star-forming galaxies (SFGs; {log}{\\overline{M}}* [{M}ȯ ]=11.1, {log}({{{Σ }}}1{kpc}[{M}ȯ {kpc}}-2])> 9.5, {log}({M}* /{r}e1.5[{M}ȯ {kpc}}-1.5])> 10.3) at z ∼ 0.7–3.7 within the KMOS3D survey. We spatially resolve 23 compact SFGs and find that the majority are dominated by rotational motions with velocities ranging from 95 to 500 km s‑1. The range of rotation velocities is reflected in a similar range of integrated Hα line widths, 75–400 km s‑1, consistent with the kinematic properties of mass-matched extended galaxies from the full KMOS3D sample. The fraction of compact SFGs that are classified as “rotation-dominated” or “disklike” also mirrors the fractions of the full KMOS3D sample. We show that integrated line-of-sight gas velocity dispersions from KMOS3D are best approximated by a linear combination of their rotation and turbulent velocities with a lesser but still significant contribution from galactic-scale winds. The Hα exponential disk sizes of compact SFGs are, on average, 2.5 ± 0.2 kpc, 1–2× the continuum sizes, in agreement with previous work. The compact SFGs have a 1.4× higher active galactic nucleus (AGN) incidence than the full KMOS3D sample at fixed stellar mass with an average AGN fraction of 76%. Given their high and centrally concentrated stellar masses, as well as stellar-to-dynamical mass ratios close to unity, the compact SFGs are likely to have low molecular gas fractions and to quench on a short timescale unless replenished with inflowing gas. The rotation in these compact systems suggests that their direct descendants are rotating passive galaxies. 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, 094.A-0217, 095.A-0047, 096.A-0025, 097.A-0028, and 098.A-0045).

Swings between rotation and accretion power in a binary millisecond pulsar.

Science.gov (United States)

Papitto, A; Ferrigno, C; Bozzo, E; Rea, N; Pavan, L; Burderi, L; Burgay, M; Campana, S; Di Salvo, T; Falanga, M; Filipović, M D; Freire, P C C; Hessels, J W T; Possenti, A; Ransom, S M; Riggio, A; Romano, P; Sarkissian, J M; Stairs, I H; Stella, L; Torres, D F; Wieringa, M H; Wong, G F

2013-09-26

It is thought that neutron stars in low-mass binary systems can accrete matter and angular momentum from the companion star and be spun-up to millisecond rotational periods. During the accretion stage, the system is called a low-mass X-ray binary, and bright X-ray emission is observed. When the rate of mass transfer decreases in the later evolutionary stages, these binaries host a radio millisecond pulsar whose emission is powered by the neutron star's rotating magnetic field. This evolutionary model is supported by the detection of millisecond X-ray pulsations from several accreting neutron stars and also by the evidence for a past accretion disc in a rotation-powered millisecond pulsar. It has been proposed that a rotation-powered pulsar may temporarily switch on during periods of low mass inflow in some such systems. Only indirect evidence for this transition has hitherto been observed. Here we report observations of accretion-powered, millisecond X-ray pulsations from a neutron star previously seen as a rotation-powered radio pulsar. Within a few days after a month-long X-ray outburst, radio pulses were again detected. This not only shows the evolutionary link between accretion and rotation-powered millisecond pulsars, but also that some systems can swing between the two states on very short timescales.

Investigating stellar surface rotation using observations of starspots

DEFF Research Database (Denmark)

Korhonen, Heidi Helena

2011-01-01

Rapid rotation enhances the dynamo operating in stars, and thus also introduces significantly stronger magnetic activity than is seen in slower rotators. Many young cool stars still have the rapid, primordial rotation rates induced by the interstellar molecular cloud from which they were formed....... Also older stars in close binary systems are often rapid rotators. These types of stars can show strong magnetic activity and large starspots. In the case of large starspots which cause observable changes in the brightness of the star, and even in the shapes of the spectral line profiles, one can get...... information on the rotation of the star. At times even information on the spot rotation at different stellar latitudes can be obtained, similarly to the solar surface differential rotation measurements using magnetic features as tracers. Here, I will review investigations of stellar rotation based...

Nanosecond and femtosecond mass spectroscopic analysis of a molecular beam produced by the spray-jet technique

International Nuclear Information System (INIS)

Yamada, Toshiki; Shinohara, Hidenori; Kamikado, Toshiya; Okuno, Yoshishige; Suzuki, Hitoshi; Mashiko, Shinro; Yokoyama, Shiyoshi

2008-01-01

The spray-jet molecular beam apparatus enabled us to produce a molecular beam of non-volatile molecules under high vacuum from a sprayed mist of sample solutions. The apparatus has been used in spectroscopic studies and as a means of molecular beam deposition. We analyzed the molecular beam, consisting of non-volatile, solvent, and carrier-gas molecules, by using femtosecond- and nanosecond- laser mass spectroscopy. The information thus obtained provided insight into the molecular beam produced by the spray-jet technique

Heterogeneous chemical kinetics by modulated molecular beam mass spectrometry: limitations of technique

International Nuclear Information System (INIS)

Olander, D.R.

1977-01-01

The advantages and limitations of modulated molecular beam, mass spectrometry as applied to the study of heterogeneous chemical kinetics are reviewed. The process of deducing a model of the surface reaction from experimental data is illustrated by analysis of the hydrogen reduction of uranium dioxide

Electronic sputtering of large organic molecules and its application in bio molecular mass spectrometry

International Nuclear Information System (INIS)

Sundqvist, B.U.R.

1992-01-01

This is a review of research which has its origin in the discovery of Plasma Desorption Mass Spectrometry (PDMS). Two main fields of research have developed, namely fundamental studies of the ejection process at fast ion impact and studies of applications of the new mass spectrometric technique. In this review the emphasis will be on the process of electronic sputtering of organic solids but also applications of this process in bio molecular mass spectrometry will be discussed. (author)

Physics of rotation: problems and challenges

Science.gov (United States)

Maeder, Andre; Meynet, Georges

2015-01-01

We examine some debated points in current discussions about rotating stars: the shape, the gravity darkening, the critical velocities, the mass loss rates, the hydrodynamical instabilities, the internal mixing and N-enrichments. The study of rotational mixing requires high quality data and careful analysis. From recent studies where such conditions are fulfilled, rotational mixing is well confirmed. Magnetic coupling with stellar winds may produce an apparent contradiction, i.e. stars with a low rotation and a high N-enrichment. We point out that it rather confirms the large role of shears in differentially rotating stars for the transport processes. New models of interacting binaries also show how shears and mixing may be enhanced in close binaries which are either spun up or down by tidal interactions.

Universal relations for differentially rotating relativistic stars at the threshold to collapse

Science.gov (United States)

Bozzola, Gabriele; Stergioulas, Nikolaos; Bauswein, Andreas

2018-03-01

A binary neutron star merger produces a rapidly and differentially rotating compact remnant whose lifespan heavily affects the electromagnetic and gravitational emissions. Its stability depends on both the equation of state (EOS) and the rotation law and it is usually investigated through numerical simulations. Nevertheless, by means of a sufficient criterion for secular instability, equilibrium sequences can be used as a computational inexpensive way to estimate the onset of dynamical instability, which, in general, is close to the secular one. This method works well for uniform rotation and relies on the location of turning points: stellar models that are stationary points in a sequence of equilibrium solutions with constant rest mass or angular momentum. Here, we investigate differentially rotating models (using a large number of EOSs and different rotation laws) and find that several universal relations between properly scaled gravitational mass, rest mass and angular momentum of the turning-point models that are valid for uniform rotation are insensitive to the degree of differential rotation, to high accuracy.

Stellar Evolution with Rotation: Mixing Processes in AGB Stars

Science.gov (United States)

Driebe, T.; Blöcker, T.

We included diffusive angular momentum transport and rotationally induced mixing processes in our stellar evolution code and studied the influence of rotation on the evolution of intermediate mass stars (M*=2dots6 Msolar) towards and along the asymptotic giant branch (AGB). The calculations start in the fully convective pre-main sequence phase and the initial angular momentu m was adjusted such that on the zero-age main sequence vrot=200 km/ s is achieved. The diffusion coefficients for the five rotational instabilities considered (dynamical shear, secular shear, Eddington-Sweet (ES) circulation, Solberg-Høiland-instability and Goldreich-Schubert-Fricke (GSF) instability) were adopted from Heger et al. (2000, ApJ 528, 368). Mixing efficiency and sensitivity of these processes against molecular weight gradients have been determined by calibration of the main sequence width. In this study we focus on the abundance evolution of carbon. On the one hand, the surface abundance ratios of 12C/13C a nd 12C/16O at the base of the AGB were found to be ≈ 7dots 10 and ≈ 0.1, resp., being a factor of two lower than in non-rotating models. This results from the slow but continuously operating rotationally induced mixing due to the ES-circulation and the GSF-instability during the long main sequence phase. On the other hand, 13C serves as neutron source for interior s-process nucleosynthesis in AGB stars vi a 13C(α,n)16O. Herwig et al. (1997, A&A 324, L81) found that a 13C pocket is forme d in the intershell region of 3 Msolar AGB star if diffusive overshoot is considered. Our calculations show, that mixing processes due to rotation open an alternative channel for the formation of a 13C pocket as found by Langer et al. (1999, A&A 346, L37). Again, ES-circulation and GSF-instability are the predominant rotational mixing processes.

Molecular outflows driven by low-mass protostars. I. Correcting for underestimates when measuring outflow masses and dynamical properties

Energy Technology Data Exchange (ETDEWEB)

Dunham, Michael M. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, MS 78, Cambridge, MA 02138 (United States); Arce, Héctor G. [Department of Astronomy, Yale University, P.O. Box 208101, New Haven, CT 06520 (United States); Mardones, Diego [Departamento de Astronomía, Universidad de Chile, Casilla 36-D, Santiago (Chile); Lee, Jeong-Eun [Department of Astronomy and Space Science, Kyung Hee University, Yongin, Gyeonggi 446-701 (Korea, Republic of); Matthews, Brenda C. [National Research Council of Canada, Herzberg Astronomy and Astrophysics, 5071 W. Saanich Road, Victoria, BC V9E 2E7 (Canada); Stutz, Amelia M. [Max-Planck-Institut für Astronomie, Königstuhl 17, D-69117, Heidelberg (Germany); Williams, Jonathan P., E-mail: mdunham@cfa.harvard.edu [Institute for Astronomy, University of Hawaii, Honolulu, HI 96822 (United States)

2014-03-01

We present a survey of 28 molecular outflows driven by low-mass protostars, all of which are sufficiently isolated spatially and/or kinematically to fully separate into individual outflows. Using a combination of new and archival data from several single-dish telescopes, 17 outflows are mapped in {sup 12}CO (2-1) and 17 are mapped in {sup 12}CO (3-2), with 6 mapped in both transitions. For each outflow, we calculate and tabulate the mass (M {sub flow}), momentum (P {sub flow}), kinetic energy (E {sub flow}), mechanical luminosity (L {sub flow}), and force (F {sub flow}) assuming optically thin emission in LTE at an excitation temperature, T {sub ex}, of 50 K. We show that all of the calculated properties are underestimated when calculated under these assumptions. Taken together, the effects of opacity, outflow emission at low velocities confused with ambient cloud emission, and emission below the sensitivities of the observations increase outflow masses and dynamical properties by an order of magnitude, on average, and factors of 50-90 in the most extreme cases. Different (and non-uniform) excitation temperatures, inclination effects, and dissociation of molecular gas will all work to further increase outflow properties. Molecular outflows are thus almost certainly more massive and energetic than commonly reported. Additionally, outflow properties are lower, on average, by almost an order of magnitude when calculated from the {sup 12}CO (3-2) maps compared to the {sup 12}CO (2-1) maps, even after accounting for different opacities, map sensitivities, and possible excitation temperature variations. It has recently been argued in the literature that the {sup 12}CO (3-2) line is subthermally excited in outflows, and our results support this finding.

The circulation pattern and day-night heat transport in the atmosphere of a synchronously rotating aquaplanet: Dependence on planetary rotation rate

Science.gov (United States)

Noda, S.; Ishiwatari, M.; Nakajima, K.; Takahashi, Y. O.; Takehiro, S.; Onishi, M.; Hashimoto, G. L.; Kuramoto, K.; Hayashi, Y.-Y.

2017-01-01

In order to investigate a possible variety of atmospheric states realized on a synchronously rotating aquaplanet, an experiment studying the impact of planetary rotation rate is performed using an atmospheric general circulation model (GCM) with simplified hydrological and radiative processes. The entire planetary surface is covered with a swamp ocean. The value of planetary rotation rate is varied from zero to the Earth's, while other parameters such as planetary radius, mean molecular weight and total mass of atmospheric dry components, and solar constant are set to the present Earth's values. The integration results show that the atmosphere reaches statistically equilibrium states for all runs; none of the calculated cases exemplifies the runaway greenhouse state. The circulation patterns obtained are classified into four types: Type-I characterized by the dominance of a day-night thermally direct circulation, Type-II characterized by a zonal wave number one resonant Rossby wave over a meridionally broad westerly jet on the equator, Type-III characterized by a long time scale north-south asymmetric variation, and Type-IV characterized by a pair of mid-latitude westerly jets. With the increase of planetary rotation rate, the circulation evolves from Type-I to Type-II and then to Type-III gradually and smoothly, whereas the change from Type-III to Type-IV is abrupt and discontinuous. Over a finite range of planetary rotation rate, both Types-III and -IV emerge as statistically steady states, constituting multiple equilibria. In spite of the substantial changes in circulation, the net energy transport from the day side to the night side remains almost insensitive to planetary rotation rate, although the partition into dry static energy and latent heat energy transports changes. The reason for this notable insensitivity is that the outgoing longwave radiation over the broad area of the day side is constrained by the radiation limit of a moist atmosphere, so that the

Rotational instability in the outer region of protoplanetary disks

Energy Technology Data Exchange (ETDEWEB)

Ono, Tomohiro [Department of Astronomy, Graduate School of Science, Kyoto University, Sakyo-ku, Kyoto 606-8502 (Japan); Nomura, Hideko; Takeuchi, Taku, E-mail: ono.t@kusastro.kyoto-u.ac.jp [Department of Earth and Planetary Sciences, Tokyo Institute of Technology, Ookayama, Meguro-ku, Tokyo 152-8551 (Japan)

2014-05-20

We analytically calculate the marginally stable surface density profile for the rotational instability of protoplanetary disks. The derived profile can be utilized for considering the region in a rotating disk where radial pressure gradient force is comparable to the gravitational force, such as an inner edge, steep gaps or bumps, and an outer region of the disk. In this paper, we particularly focus on the rotational instability in the outer region of disks. We find that a protoplanetary disk with a surface density profile of similarity solution becomes rotationally unstable at a certain radius, depending on its temperature profile and a mass of the central star. If the temperature is relatively low and the mass of the central star is high, disks have rotationally stable similarity profiles. Otherwise, deviation from the similarity profiles of surface density could be observable, using facilities with high sensitivity, such as ALMA.

Rotational instability in the outer region of protoplanetary disks

International Nuclear Information System (INIS)

Ono, Tomohiro; Nomura, Hideko; Takeuchi, Taku

2014-01-01

We analytically calculate the marginally stable surface density profile for the rotational instability of protoplanetary disks. The derived profile can be utilized for considering the region in a rotating disk where radial pressure gradient force is comparable to the gravitational force, such as an inner edge, steep gaps or bumps, and an outer region of the disk. In this paper, we particularly focus on the rotational instability in the outer region of disks. We find that a protoplanetary disk with a surface density profile of similarity solution becomes rotationally unstable at a certain radius, depending on its temperature profile and a mass of the central star. If the temperature is relatively low and the mass of the central star is high, disks have rotationally stable similarity profiles. Otherwise, deviation from the similarity profiles of surface density could be observable, using facilities with high sensitivity, such as ALMA.

Earth Rotation Dynamics: Review and Prospects

Science.gov (United States)

Chao, Benjamin F.

2004-01-01

Modem space geodetic measurement of Earth rotation variations, particularly by means of the VLBI technique, has over the years allowed studies of Earth rotation dynamics to advance in ever-increasing precision, accuracy, and temporal resolution. A review will be presented on our understanding of the geophysical and climatic causes, or "excitations", for length-of-day change, polar motion, and nutations. These excitations sources come from mass transports that constantly take place in the Earth system comprised of the atmosphere, hydrosphere, cryosphere, lithosphere, mantle, and the cores. In this sense, together with other space geodetic measurements of time-variable gravity and geocenter motion, Earth rotation variations become a remote-sensing tool for the integral of all mass transports, providing valuable information about the latter on a wide range of spatial and temporal scales. Future prospects with respect to geophysical studies with even higher accuracy and resolution will be discussed.

Gerotor and bearing system for whirling mass orbital vibrator

Energy Technology Data Exchange (ETDEWEB)

Brett, James Ford; Westermark, Robert Victor; Turner, Jr., Joey Earl; Lovin, Samuel Scott; Cole, Jack Howard; Myers, Will

2007-02-27

A gerotor and bearing apparatus for a whirling mass orbital vibrator which generates vibration in a borehole. The apparatus includes a gerotor with an inner gear rotated by a shaft having one less lobe than an outer gear. A whirling mass is attached to the shaft. At least one bearing is attached to the shaft so that the bearing engages at least one sleeve. A mechanism is provided to rotate the inner gear, the mass and the bearing in a selected rotational direction in order to cause the mass, the inner gear, and the bearing to backwards whirl in an opposite rotational direction. The backwards whirling mass creates seismic vibrations.

Global Multi-isotopologue fit of measured rotation and vibration-rotation line positions of CO in X1Σ+ state and new set of mass-independent Dunham coefficients

International Nuclear Information System (INIS)

Velichko, T.I.; Mikhailenko, S.N.; Tashkun, S.A.

2012-01-01

A set of mass-independent U mj and Δ mj parameters globally describing vibration-rotation energy levels of the CO molecule in the X 1 Σ + ground electronic state was fitted to more than 19,000 transitions of 12 C 16 O, 13 C 16 O, 14 C 16 O, 12 C 17 O, 13 C 17 O, 12 C 18 O, and 13 C 18 O isotopologues collected from the literature. The maximal values of the vibrational V and the rotational J quantum numbers included in the fit was 41 and 128, respectively. The weighted standard deviation of the fit is .66. Fitted parameters were used for calculation of Dunham coefficients Y mj for nine isotopologues 12 C 16 O, 13 C 16 O, 14 C 16 O, 12 C 17 O, 13 C 17 O, 14 C 17 O, 12 C 18 O, 13 C 18 O, and 14 C 18 O. Calculated transition frequencies based on the fitted parameters were compared with previously reported. A critical analysis of the CO HITRAN and HITEMP data is also presented.

Controllable nanoscale rotating actuator system based on carbon nanotube and graphene

International Nuclear Information System (INIS)

Huang, Jianzhang; Han, Qiang

2016-01-01

A controllable nanoscale rotating actuator system consisting of a double carbon nanotube and graphene driven by a temperature gradient is proposed, and its rotating dynamics performance and driving mechanism are investigated through molecular dynamics simulations. The outer tube exhibits stable pure rotation with certain orientation under temperature gradient and the steady rotational speed rises as the temperature gradient increases. It reveals that the driving torque is caused by the difference of atomic van der Waals potentials due to the temperature gradient and geometrical features of carbon nanotube. A theoretical model for driving torque is established based on lattice dynamics theory and its predicted results agree well with molecular dynamics simulations. Further discussion is taken according to the theoretical model. The work in this study would be a guide for design and application of controllable nanoscale rotating devices based on carbon nanotubes and graphene. (paper)

On the relativity of rotation

International Nuclear Information System (INIS)

Gron, O.

2010-01-01

The question whether rotational motion is relative according to the general theory of relativity is discussed. Einstein's ambivalence concerning this question is pointed out. In the present article I defend Einstein's way of thinking on this when he presented the theory in 1916. The significance of the phenomenon of perfect inertial dragging in connection with the relativity of rotational motion is discussed. The necessity of introducing an extended model of the Minkowski spacetime, in which a globally empty space is supplied with a cosmic mass shell with radius equal to its own Schwarzschild radius, in order to extend the principle of relativity to accelerated and rotational motion, is made clear.

Rotational averaging of multiphoton absorption cross sections

Energy Technology Data Exchange (ETDEWEB)

Friese, Daniel H., E-mail: daniel.h.friese@uit.no; Beerepoot, Maarten T. P.; Ruud, Kenneth [Centre for Theoretical and Computational Chemistry, University of Tromsø — The Arctic University of Norway, N-9037 Tromsø (Norway)

2014-11-28

Rotational averaging of tensors is a crucial step in the calculation of molecular properties in isotropic media. We present a scheme for the rotational averaging of multiphoton absorption cross sections. We extend existing literature on rotational averaging to even-rank tensors of arbitrary order and derive equations that require only the number of photons as input. In particular, we derive the first explicit expressions for the rotational average of five-, six-, and seven-photon absorption cross sections. This work is one of the required steps in making the calculation of these higher-order absorption properties possible. The results can be applied to any even-rank tensor provided linearly polarized light is used.

Extended Thermodynamics of Rarefied Polyatomic Gases: 15-Field Theory Incorporating Relaxation Processes of Molecular Rotation and Vibration

Directory of Open Access Journals (Sweden)

Takashi Arima

2018-04-01

Full Text Available After summarizing the present status of Rational Extended Thermodynamics (RET of gases, which is an endeavor to generalize the Navier–Stokes and Fourier (NSF theory of viscous heat-conducting fluids, we develop the molecular RET theory of rarefied polyatomic gases with 15 independent fields. The theory is justified, at mesoscopic level, by a generalized Boltzmann equation in which the distribution function depends on two internal variables that take into account the energy exchange among the different molecular modes of a gas, that is, translational, rotational, and vibrational modes. By adopting the generalized Bhatnagar, Gross and Krook (BGK-type collision term, we derive explicitly the closed system of field equations with the use of the Maximum Entropy Principle (MEP. The NSF theory is derived from the RET theory as a limiting case of small relaxation times via the Maxwellian iteration. The relaxation times introduced in the theory are shown to be related to the shear and bulk viscosities and heat conductivity.

Effects of Density-Dependent Bag Constant and Strange Star Rotation

Institute of Scientific and Technical Information of China (English)

ZHOU Qiao-Er; GUO Hua

2003-01-01

With the emphasis on the effects of the density-dependent bag constant and the rotation of strange star the limiting mass of strange star is calculated. The obtained results show that the limiting mass and the corresponding radius of strange star increase as the rotation frequency increases, and tend to be lowered when the density-dependent bag constant is considered.

Formation of truncated proteins and high-molecular-mass aggregates upon soft illumination of photosynthetic proteins

DEFF Research Database (Denmark)

Rinalducci, Sara; Campostrini, Natascia; Antonioli, Paolo

2005-01-01

Different spot profiles were observed in 2D gel electrophoresis of thylakoid membranes performed either under complete darkness or by leaving the sample for a short time to low visible light. In the latter case, a large number of new spots with lower molecular masses, ranging between 15,000 and 25......,000 Da, were observed, and high-molecular-mass aggregates, seen as a smearing in the upper part of the gel, appeared in the region around 250 kDa. Identification of protein(s) contained in these new spots by MS/MS revealed that most of them are simply truncated proteins deriving from native ones...

Rotating Quark Stars in General Relativity

Directory of Open Access Journals (Sweden)

Enping Zhou

2018-03-01

Full Text Available We have built quasi-equilibrium models for uniformly rotating quark stars in general relativity. The conformal flatness approximation is employed and the Compact Object CALculator (cocal code is extended to treat rotating stars with surface density discontinuity. In addition to the widely used MIT bag model, we have considered a strangeon star equation of state (EoS, suggested by Lai and Xu, that is based on quark clustering and results in a stiff EoS. We have investigated the maximum mass of uniformly rotating axisymmetric quark stars. We have also built triaxially deformed solutions for extremely fast rotating quark stars and studied the possible gravitational wave emission from such configurations.

Absolute limit on rotation of gravitationally bound stars

Science.gov (United States)

Glendenning, N. K.

1994-03-01

The authors seek an absolute limit on the rotational period for a neutron star as a function of its mass, based on the minimal constraints imposed by Einstein's theory of relativity, Le Chatelier's principle, causality, and a low-density equation of state, uncertainties which can be evaluated as to their effect on the result. This establishes a limiting curve in the mass-period plane below which no pulsar that is a neutron star can lie. For example, the minimum possible Kepler period, which is an absolute limit on rotation below which mass-shedding would occur, is 0.33 ms for a M = 1.442 solar mass neutron star (the mass of PSR1913+16). If the limit were found to be broken by any pulsar, it would signal that the confined hadronic phase of ordinary nucleons and nuclei is only metastable.

Analysis of sulfates on low molecular weight heparin using mass spectrometry: structural characterization of enoxaparin.

Science.gov (United States)

Gupta, Rohitesh; Ponnusamy, Moorthy P

2018-05-21

Structural characterization of Low Molecular Weight Heparin (LMWH) is critical to meet biosimilarity standards. In this context, the review focuses on structural analysis of labile sulfates attached to the side-groups of LMWH using mass spectrometry. A comprehensive review of this topic will help readers to identify key strategies for tackling the problem related to sulfate loss. At the same time, various mass spectrometry techniques are presented to facilitate compositional analysis of LMWH, mainly Enoxaparin. Areas covered: This review summarizes findings on mass spectrometry application for LMWH, including modulation of sulfates, using enzymology and sample preparation approaches. Furthermore, popular open-source software packages for automated spectral data interpretation are also discussed. Successful use of LC/MS can decipher structural composition for LMWH and help evaluate their sameness or biosimilarity with the innovator molecule. Overall, the literature has been searched using PubMed by typing various search queries such as "enoxaparin", "mass spectrometry", "low molecular weight heparin", "structural characterization", etc. Expert commentary: This section highlights clinically relevant areas that need improvement to achieve satisfactory commercialization of LMWHs. It also primarily emphasizes the advancements in instrumentation related to mass spectrometry, and discusses building automated software for data interpretation and analysis.

High-molecular-mass hyaluronan mediates the cancer resistance of the naked mole rat.

Science.gov (United States)

Tian, Xiao; Azpurua, Jorge; Hine, Christopher; Vaidya, Amita; Myakishev-Rempel, Max; Ablaeva, Julia; Mao, Zhiyong; Nevo, Eviatar; Gorbunova, Vera; Seluanov, Andrei

2013-07-18

The naked mole rat (Heterocephalus glaber) displays exceptional longevity, with a maximum lifespan exceeding 30 years. This is the longest reported lifespan for a rodent species and is especially striking considering the small body mass of the naked mole rat. In comparison, a similarly sized house mouse has a maximum lifespan of 4 years. In addition to their longevity, naked mole rats show an unusual resistance to cancer. Multi-year observations of large naked mole-rat colonies did not detect a single incidence of cancer. Here we identify a mechanism responsible for the naked mole rat's cancer resistance. We found that naked mole-rat fibroblasts secrete extremely high-molecular-mass hyaluronan (HA), which is over five times larger than human or mouse HA. This high-molecular-mass HA accumulates abundantly in naked mole-rat tissues owing to the decreased activity of HA-degrading enzymes and a unique sequence of hyaluronan synthase 2 (HAS2). Furthermore, the naked mole-rat cells are more sensitive to HA signalling, as they have a higher affinity to HA compared with mouse or human cells. Perturbation of the signalling pathways sufficient for malignant transformation of mouse fibroblasts fails to transform naked mole-rat cells. However, once high-molecular-mass HA is removed by either knocking down HAS2 or overexpressing the HA-degrading enzyme, HYAL2, naked mole-rat cells become susceptible to malignant transformation and readily form tumours in mice. We speculate that naked mole rats have evolved a higher concentration of HA in the skin to provide skin elasticity needed for life in underground tunnels. This trait may have then been co-opted to provide cancer resistance and longevity to this species.

Gas chromatography-mass spectrometry with supersonic molecular beams.

Science.gov (United States)

Amirav, Aviv; Gordin, Alexander; Poliak, Marina; Fialkov, Alexander B

2008-02-01

Gas chromatography-mass spectrometry (GC-MS) with supersonic molecular beams (SMBs) (also named Supersonic GC-MS) is based on GC and MS interface with SMBs and on the electron ionization (EI) of vibrationally cold analytes in the SMBs (cold EI) in a fly-through ion source. This ion source is inherently inert and further characterized by fast response and vacuum background filtration capability. The same ion source offers three modes of ionization including cold EI, classical EI and cluster chemical ionization (CI). Cold EI, as a main mode, provides enhanced molecular ions combined with an effective library sample identification, which is supplemented and complemented by a powerful isotope abundance analysis method and software. The range of low-volatility and thermally labile compounds amenable for analysis is significantly increased owing to the use of the contact-free, fly-through ion source and the ability to lower sample elution temperatures through the use of high column carrier gas flow rates. Effective, fast GC-MS is enabled particularly owing to the possible use of high column flow rates and improved system selectivity in view of the enhancement of the molecular ion. This fast GC-MS with SMB can be further improved via the added selectivity of MS-MS, which by itself benefits from the enhancement of the molecular ion, the most suitable parent ion for MS-MS. Supersonic GC-MS is characterized by low limits of detection (LOD), and its sensitivity is superior to that of standard GC-MS, particularly for samples that are hard for analysis. The GC separation of the Supersonic GC-MS can be improved with pulsed flow modulation (PFM) GC x GC-MS. Electron ionization LC-MS with SMB can also be combined with the Supersonic GC-MS, with fast and easy switching between these two modes of operation. (c) 2008 John Wiley & Sons, Ltd.

Rotational dynamics with Tracker

International Nuclear Information System (INIS)

Eadkhong, T; Danworaphong, S; Rajsadorn, R; Jannual, P

2012-01-01

We propose the use of Tracker, freeware for video analysis, to analyse the moment of inertia (I) of a cylindrical plate. Three experiments are performed to validate the proposed method. The first experiment is dedicated to find the linear coefficient of rotational friction (b) for our system. By omitting the effect of such friction, we derive I for a cylindrical plate rotated around its central axis from the other two experiments based on the relation between torque and angular acceleration of rotational motion and conservation of energy. Movies of the rotating plate and hung masses are recorded. As a result, we have the deviation of I from its theoretical value of 0.4% and 3.3%, respectively. Our setup is completely constructed from locally available inexpensive materials and the experimental results indicate that the system is highly reliable. This work should pave the way for those who prefer to build a similar setup from scratch at relatively low cost compared to commercial units. (paper)

Molecular effects in the neutrino mass determination from beta-decay of the tritium molecule

International Nuclear Information System (INIS)

Fackler, O.; Jeziorski, B.; Kolos, W.; Szalewicz, K.; Monkhorst, H.J.; Mugge, M.

1986-03-01

Molecular final state energies and transition probabilities have been computed for beta-decay of the tritium molecule. The results are of sufficient accuracy to make a determination of the electron neutrino rest mass with an error not exceeding a few tenths of an electron volt. Effects of approximate models of tritium beta-decay on the neutrino mass determination are discussed. 14 refs., 3 figs., 1 tab

Mass Spectrometry-based Approaches to Understand the Molecular Basis of Memory

Directory of Open Access Journals (Sweden)

Arthur Henriques Pontes

2016-10-01

Full Text Available The central nervous system is responsible for an array of cognitive functions such as memory, learning, language and attention. These processes tend to take place in distinct brain regions; yet, they need to be integrated to give rise to adaptive or meaningful behavior. Since cognitive processes result from underlying cellular and molecular changes, genomics and transcriptomics assays have been applied to human and animal models to understand such events. Nevertheless, genes and RNAs are not the end products of most biological functions. In order to gain further insights toward the understanding of brain processes, the field of proteomics has been of increasing importance in the past years. Advancements in liquid chromatography-tandem mass spectrometry (LC-MS/MS have enable the identification and quantification of thousand of proteins with high accuracy and sensitivity, fostering a revolution in the neurosciences. Herein, we review the molecular bases of explicit memory in the hippocampus. We outline the principles of mass spectrometry (MS-based proteomics, highlighting the use of this analytical tool to study memory formation. In addition, we discuss MS-based targeted approaches as the future of protein analysis.

BANYAN. III. Radial velocity, rotation, and X-ray emission of low-mass star candidates in nearby young kinematic groups

Energy Technology Data Exchange (ETDEWEB)

Malo, Lison; Artigau, Étienne; Doyon, René; Lafrenière, David; Albert, Loïc; Gagné, Jonathan, E-mail: malo@astro.umontreal.ca, E-mail: doyon@astro.umontreal.ca [Département de physique and Observatoire du Mont-Mégantic, Université de Montréal, Montréal, QC H3C 3J7 (Canada)

2014-06-10

Based on high-resolution spectra obtained with PHOENIX at Gemini-South, CRIRES at VLT-UT1, and ESPaDOnS at the Canada-France-Hawaii Telescope, we present new measurements of the radial and projected rotational velocities of 219 low-mass stars. The target likely membership was initially established using the Bayesian analysis tool recently presented in Malo et al., taking into account only the position, proper motion, and photometry of the stars to assess their membership probability. In the present study, we include radial velocity as an additional input to our analysis, and in doing so we confirm the high membership probability for 130 candidates: 27 in β Pictoris, 22 in Tucana-Horologium, 25 in Columba, 7 in Carina, 18 in Argus and 18 in AB Doradus, and 13 with an ambiguous membership. Our analysis also confirms the membership of 57 stars proposed in the literature. A subsample of 16 candidates was observed at 3 or more epochs, allowing us to discover 6 new spectroscopic binaries. The fraction of binaries in our sample is 25%, consistent with values in the literature. Of the stars in our sample, 20% show projected rotational velocities (vsin i) higher than 30 km s{sup –1} and therefore are considered as fast rotators. A parallax and other youth indicators are still needed to fully confirm the 130 highly probable candidates identified here as new bona fide members. Finally, based on the X-ray emission of bona fide and highly probable group members, we show that for low-mass stars in the 12-120 Myr age range, the X-ray luminosity is an excellent indicator of youth and better than the more traditionally used R {sub X} parameter, the ratio of X-ray to bolometric luminosity.

Study of molecular iodine-epoxy paint mass transfer

Energy Technology Data Exchange (ETDEWEB)

Belval-Haltier, E [Inst. de Protection et Surete Nucleaire, IPSN, CEN Cadarache, St. Paul-lez-Durance (France)

1996-12-01

The mass transfer phenomena may have a significant influence on the quantity of I{sub 2} which could be released following a severe accident of a nuclear power plant and specially the mass transfer of iodine onto containment surfaces. So, the objective of the present work was to evaluate which phase limited the adsorption process of iodine onto gaseous epoxy paint under a range of conditions which may be relevant to a severe reactor accident. In this aim, a series of experiments was conducted in which the sorption kinetics of molecular iodine, labelled with {sup 131}I, was measured by monitoring continuously the accumulation of this species on the epoxy surface. For each test condition, the initial deposition velocity was determined and the corresponding gas phase mass transfer, kg, was estimated by using the heat transfer analogy for a laminar flow passing over a flat plate. Then, the surface reaction rate, Kr, was deduced from these two values. Experiments performed indicated that iodine adsorption onto epoxy paint is highly dependent on temperature, relative humidity of the carrier gas and moisture content of the painted coupon. In dry air flow conditions, the adsorption of iodine onto paint was found to increase with temperature and to be limited by the surface reaction rate, Kr. The I{sub 2} adsorption rate was found to increase with the humidity of carrier gas and in some studied conditions, the initial deposition velocity appeared to be controlled by gas phase mass transfer rather than surface interaction. The same phenomenon has been observed with an increase of the initial water content of the painted coupon. (author) 6 figs., 1 tab., 8 refs.

MOLECULAR DISK PROPERTIES IN EARLY-TYPE GALAXIES

International Nuclear Information System (INIS)

Xu, X.; Walker, C.; Narayanan, D.

2010-01-01

We study the simulated CO emission from elliptical galaxies formed in the mergers of gas-rich disk galaxies. The cold gas not consumed in the merger-driven starburst quickly resettles into a disk-like configuration. By analyzing a variety of arbitrary merger orbits that produce a range of fast- to slow-rotating remnants, we find that molecular disk formation is a fairly common consequence of gas-rich galaxy mergers. Hence, if a molecular disk is observed in an early-type merger remnant, it is likely the result of a 'wet merger' rather than a 'dry merger'. We compare the physical properties from our simulated disks (e.g., size and mass) and find reasonably good agreement with recent observations. Finally, we discuss the detectability of these disks as an aid to future observations.

Nonadiabatic Response Model of Laser-Induced Ultrafast π-Electron Rotations in Chiral Aromatic Molecules

International Nuclear Information System (INIS)

Kanno, Manabu; Kono, Hirohiko; Fujimura, Yuichi; Lin, Sheng H.

2010-01-01

We theoretically investigated the nonadiabatic couplings between optically induced π-electron rotations and molecular vibrations in a chiral aromatic molecule irradiated by a nonhelical, linearly polarized laser pulse. The results of wave packet dynamics simulation show that the vibrational amplitudes strongly depend on the initial rotation direction, clockwise or counterclockwise, which is controlled by the polarization direction of the incident pulse. This suggests that attosecond π-electron rotations can be observed by spectroscopic detection of femtosecond molecular vibrations.

The observation of quasi-molecular ions from a tiger snake venom component (Msub(r) 13309) using 252Cf-plasma desorption mass spectrometry

International Nuclear Information System (INIS)

Kamensky, I.; Haakansson, P.; Kjellberg, J.; Sundqvist, B.; Fohlman, J.; Peterson, P.A.

1983-01-01

A method involving fast heavy-ion bombardment of a solid sample called 252 Cf-plasma desorption mass spectrometry has been used to study a non-enzymatic, non-toxic phospholipase homolog from Australian tiger snake (Notechis scutatus) venom. The protein consists of 119 amino acids in a single polypeptide chain cross-linked by 7 disulfide bridges. The isotopically averaged molecular mass as determined by protein sequence analysis is 13309 atomic mass units (amu). The mass distributions were studied by means of time-of-flight measurements. Quasi-molecular ions associated to the molecule and its dimer were observed. The mass of the quasi-molecular ion corresponding to the molecule was determined to be 13285 +- 25 amu. (Auth.)

Dynamics of rotating and vibrating thin hemispherical shell with mass and damping imperfections and parametrically driven by discrete electrodes

CSIR Research Space (South Africa)

Shatalov, M

2009-05-01

Full Text Available stream_source_info Shatalov2_2009.pdf.txt stream_content_type text/plain stream_size 22572 Content-Encoding UTF-8 stream_name Shatalov2_2009.pdf.txt Content-Type text/plain; charset=UTF-8 1 DYNAMICS OF ROTATING... AND VIBRATING THIN HEMISPHERICAL SHELL WITH MASS AND DAMPING IMPERFECTIONS AND PARAMETRICALLY DRIVEN BY DISCRETE ELECTRODES Michael Shatalov1,2 and Charlotta Coetzee2 1Sensor Science and Technology (SST) of CSIR Material Science and Manufacturing (MSM...

The rotation of spiral galaxies.

Science.gov (United States)

Rubin, V C

1983-06-24

There is accumulating evidence that as much as 90 percent of the mass of the universe is nonluminous and is clumped, halo-like, around individual galaxies. The gravitational force of this dark matter is presumed to be responsible for the high rotational velocities of stars and gas in the disks of spiral galaxie. At present, the form of the dark matter is unknown. Possible candidates span a range in mass of 10(70), from non-zero-mass neutrinos to massive black holes.

Modulated molecular beam mass spectrometry: A generalized expression for the ''reaction product vector'' for linear systems

International Nuclear Information System (INIS)

Chang, H.; Weinberg, W.H.

1977-01-01

A generalized expression is developed that relates the ''reaction product vector'', epsilon exp(-iphi), to the kinetic parameters of a linear system. The formalism is appropriate for the analysis of modulated molecular beam mass spectrometry data and facilitates the correlation of experimental results to (proposed) linear models. A study of stability criteria appropriate for modulated molecular beam mass spectrometry experiments is also presented. This investigation has led to interesting inherent limitations which have not heretofore been emphasized, as well as a delineation of the conditions under which stable chemical oscillations may occur in the reacting system

Concepts on the pathogenesis of adolescent idiopathic scoliosis. Bone growth and mass, vertebral column, spinal cord, brain, skull, extra-spinal left-right skeletal length asymmetries, disproportions and molecular pathogenesis.

Science.gov (United States)

Burwell, R Geoffrey; Dangerfield, Peter H; Freeman, Brian J C

2008-01-01

There is no generally accepted scientific theory for the causes of adolescent idiopathic scoliosis (AIS). Encouraging advances thought to be related to AIS pathogenesis have recently been made in several fields including anthropometry of bone growth, bone mass, spinal growth modulation, extra-spinal left-right skeletal length asymmetries and disproportions, magnetic resonance imaging of vertebral column, spinal cord, brain, skull, and molecular pathogenesis. These advances are leading to the evaluation of new treatments including attempts at minimally invasive surgery on the spine and peri-apical ribs. Several concepts of AIS are outlined indicating their clinical applications but not their research potential. The concepts, by derivation morphological, molecular and mathematical, are addressed in 15 sections: 1) initiating and progressive factors; 2) relative anterior spinal overgrowth; 3) dorsal shear forces that create axial rotational instability; 4) rotational preconstraint; 5) uncoupled, or asynchronous, spinal neuro-osseous growth; 6) brain, nervous system and skull; 7) a novel neuro-osseous escalator concept based on a putative abnormality of two normal polarized processes namely, a) increasing skeletal dimensions, and b) the CNS body schema - both contained within a neuro-osseous timing of maturation (NOTOM) concept; 8) transverse plane pelvic rotation, skeletal asymmetries and developmental theory; 9) thoraco-spinal concept; 10) origin in contracture at the hips; 11) osteopenia; 12) melatonin deficiency; 13) systemic melatonin-signaling pathway dysfunction; 14) platelet calmodulin dysfunction; and 15) biomechanical spinal growth modulation. From these concepts, a collective model for AIS pathogenesis is formulated. The central concept of this model includes the body schema of the neural systems, widely-studied in adults, that control normal posture and coordinated movements with frames of reference in the posterior parietal cortex. The escalator concept

Excited state dynamics & optical control of molecular motors

Science.gov (United States)

Wiley, Ted; Sension, Roseanne

2014-03-01

Chiral overcrowded alkenes are likely candidates for light driven rotary molecular motors. At their core, these molecular motors are based on the chromophore stilbene, undergoing ultrafast cis/trans photoisomerization about their central double bond. Unlike stilbene, the photochemistry of molecular motors proceeds in one direction only. This unidirectional rotation is a result of helicity in the molecule induced by steric hindrance. However, the steric hindrance which ensures unidirectional excited state rotation, has the unfortunate consequence of producing large ground state barriers which dramatically decrease the overall rate of rotation. These molecular scale ultrafast motors have only recently been studied by ultrafast spectroscopy. Our lab has studied the photochemistry and photophysics of a ``first generation'' molecular motor with UV-visible transient absorption spectroscopy. We hope to use optical pulse shaping to enhance the efficiency and turnover rate of these molecular motors.

White Dwarf Rotation as a Function of Mass and a Dichotomy of Mode Line Widths: Kepler  Observations of 27 Pulsating DA White Dwarfs through K2 Campaign 8

Energy Technology Data Exchange (ETDEWEB)

Hermes, J. J.; Fanale, S. M.; Dennihy, E.; Fuchs, J. T.; Dunlap, B. H.; Clemens, J. C. [Department of Physics and Astronomy, University of North Carolina, Chapel Hill, NC 27599 (United States); Gänsicke, B. T.; Greiss, S.; Tremblay, P.-E.; Fusillo, N. P. Gentile; Raddi, R.; Chote, P.; Marsh, T. R. [Department of Physics, University of Warwick, Coventry CV4 7AL (United Kingdom); Kawaler, Steven D. [Department of Physics and Astronomy, Iowa State University, Ames, IA 50011 (United States); Bell, Keaton J.; Montgomery, M. H.; Winget, D. E. [Department of Astronomy, University of Texas at Austin, Austin, TX 78712 (United States); Redfield, S., E-mail: jjhermes@unc.edu [Wesleyan University Astronomy Department, Van Vleck Observatory, 96 Foss Hill Drive, Middletown, CT 06459 (United States)

2017-10-01

We present photometry and spectroscopy for 27 pulsating hydrogen-atmosphere white dwarfs (DAVs; a.k.a. ZZ Ceti stars) observed by the Kepler space telescope up to K2 Campaign 8, an extensive compilation of observations with unprecedented duration (>75 days) and duty cycle (>90%). The space-based photometry reveals pulsation properties previously inaccessible to ground-based observations. We observe a sharp dichotomy in oscillation mode line widths at roughly 800 s, such that white dwarf pulsations with periods exceeding 800 s have substantially broader mode line widths, more reminiscent of a damped harmonic oscillator than a heat-driven pulsator. Extended Kepler coverage also permits extensive mode identification: we identify the spherical degree of 87 out of 201 unique radial orders, providing direct constraints of the rotation period for 20 of these 27 DAVs, more than doubling the number of white dwarfs with rotation periods determined via asteroseismology. We also obtain spectroscopy from 4 m-class telescopes for all DAVs with Kepler photometry. Using these homogeneously analyzed spectra, we estimate the overall mass of all 27 DAVs, which allows us to measure white dwarf rotation as a function of mass, constraining the endpoints of angular momentum in low- and intermediate-mass stars. We find that 0.51–0.73 M {sub ⊙} white dwarfs, which evolved from 1.7–3.0 M {sub ⊙} ZAMS progenitors, have a mean rotation period of 35 hr with a standard deviation of 28 hr, with notable exceptions for higher-mass white dwarfs. Finally, we announce an online repository for our Kepler data and follow-up spectroscopy, which we collect at http://k2wd.org.

THE H α EMISSION OF NEARBY M DWARFS AND ITS RELATION TO STELLAR ROTATION

International Nuclear Information System (INIS)

Newton, Elisabeth R.; Irwin, Jonathan; Charbonneau, David; Berlind, Perry; Calkins, Michael L.; Mink, Jessica

2017-01-01

The high-energy emission from low-mass stars is mediated by the magnetic dynamo. Although the mechanisms by which fully convective stars generate large-scale magnetic fields are not well understood, it is clear that, as for solar-type stars, stellar rotation plays a pivotal role. We present 270 new optical spectra of low-mass stars in the Solar Neighborhood. Combining our observations with those from the literature, our sample comprises 2202 measurements or non-detections of H α emission in nearby M dwarfs. This includes 466 with photometric rotation periods. Stars with masses between 0.1 and 0.6 M ⊙ are well-represented in our sample, with fast and slow rotators of all masses. We observe a threshold in the mass–period plane that separates active and inactive M dwarfs. The threshold coincides with the fast-period edge of the slowly rotating population, at approximately the rotation period at which an era of rapid rotational evolution appears to cease. The well-defined active/inactive boundary indicates that H α activity is a useful diagnostic for stellar rotation period, e.g., for target selection for exoplanet surveys, and we present a mass-period relation for inactive M dwarfs. We also find a significant, moderate correlation between L Hα / L bol and variability amplitude: more active stars display higher levels of photometric variability. Consistent with previous work, our data show that rapid rotators maintain a saturated value of L Hα / L bol . Our data also show a clear power-law decay in L Hα / L bol with Rossby number for slow rotators, with an index of −1.7 ± 0.1.

Molecular spinning by a chiral train of short laser pulses

Science.gov (United States)

Floß, Johannes; Averbukh, Ilya Sh.

2012-12-01

We provide a detailed theoretical analysis of molecular rotational excitation by a chiral pulse train, a sequence of linearly polarized pulses with the polarization direction rotating from pulse to pulse by a controllable angle. Molecular rotation with a preferential rotational sense (clockwise or counterclockwise) can be excited by this scheme. We show that the directionality of the rotation is caused by quantum interference of different excitation pathways. The chiral pulse train is capable of selective excitation of molecular isotopologs and nuclear spin isomers in a mixture. We demonstrate this using 14N2 and 15N2 as examples for isotopologs and para- and ortho-nitrogen as examples for nuclear-spin isomers.

The link between the baryonic mass distribution and the rotation curve shape

NARCIS (Netherlands)

Swaters, R. A.; Sancisi, R.; van der Hulst, J. M.; van Albada, T. S.

The observed rotation curves of disc galaxies, ranging from late-type dwarf galaxies to early-type spirals, can be fitted remarkably well simply by scaling up the contributions of the stellar and H?i discs. This baryonic scaling model can explain the full breadth of observed rotation curves with

Eckart frame vibration-rotation Hamiltonians: Contravariant metric tensor

International Nuclear Information System (INIS)

Pesonen, Janne

2014-01-01

Eckart frame is a unique embedding in the theory of molecular vibrations and rotations. It is defined by the condition that the Coriolis coupling of the reference structure of the molecule is zero for every choice of the shape coordinates. It is far from trivial to set up Eckart kinetic energy operators (KEOs), when the shape of the molecule is described by curvilinear coordinates. In order to obtain the KEO, one needs to set up the corresponding contravariant metric tensor. Here, I derive explicitly the Eckart frame rotational measuring vectors. Their inner products with themselves give the rotational elements, and their inner products with the vibrational measuring vectors (which, in the absence of constraints, are the mass-weighted gradients of the shape coordinates) give the Coriolis elements of the contravariant metric tensor. The vibrational elements are given as the inner products of the vibrational measuring vectors with themselves, and these elements do not depend on the choice of the body-frame. The present approach has the advantage that it does not depend on any particular choice of the shape coordinates, but it can be used in conjunction with all shape coordinates. Furthermore, it does not involve evaluation of covariant metric tensors, chain rules of derivation, or numerical differentiation, and it can be easily modified if there are constraints on the shape of the molecule. Both the planar and non-planar reference structures are accounted for. The present method is particular suitable for numerical work. Its computational implementation is outlined in an example, where I discuss how to evaluate vibration-rotation energies and eigenfunctions of a general N-atomic molecule, the shape of which is described by a set of local polyspherical coordinates

Rotation and magnetism in intermediate-mass stars

Science.gov (United States)

Quentin, Léo G.; Tout, Christopher A.

2018-06-01

Rotation and magnetism are increasingly recognized as important phenomena in stellar evolution. Surface magnetic fields from a few to 20 000 G have been observed and models have suggested that magnetohydrodynamic transport of angular momentum and chemical composition could explain the peculiar composition of some stars. Stellar remnants such as white dwarfs have been observed with fields from a few to more than 109 G. We investigate the origin of and the evolution, on thermal and nuclear rather than dynamical time-scales, of an averaged large-scale magnetic field throughout a star's life and its coupling to stellar rotation. Large-scale magnetic fields sustained until late stages of stellar evolution with conservation of magnetic flux could explain the very high fields observed in white dwarfs. We include these effects in the Cambridge stellar evolution code using three time-dependant advection-diffusion equations coupled to the structural and composition equations of stars to model the evolution of angular momentum and the two components of the magnetic field. We present the evolution in various cases for a 3 M_{⊙} star from the beginning to the late stages of its life. Our particular model assumes that turbulent motions, including convection, favour small-scale field at the expense of large-scale field. As a result, the large-scale field concentrates in radiative zones of the star and so is exchanged between the core and the envelope of the star as it evolves. The field is sustained until the end of the asymptotic giant branch, when it concentrates in the degenerate core.

Limiting rotational period of neutron stars

Science.gov (United States)

Glendenning, Norman K.

1992-11-01

We seek an absolute limit on the rotational period for a neutron star as a function of its mass, based on the minimal constraints imposed by Einstein's theory of relativity, Le Chatelier's principle, causality, and a low-density equation of state, uncertainties in which can be evaluated as to their effect on the result. This establishes a limiting curve in the mass-period plane below which no pulsar that is a neutron star can lie. For example, the minimum possible Kepler period, which is an absolute limit on rotation below which mass shedding would occur, is 0.33 ms for a M=1.442Msolar neutron star (the mass of PSR1913+16). A still lower curve, based only on the structure of Einstein's equations, limits any star whatsoever to lie in the plane above it. Hypothetical stars such as strange stars, if the matter of which they are made is self-bound in bulk at a sufficiently large equilibrium energy density, can lie in the region above the general-relativistic forbidden region, and in the region forbidden to neutron stars.

Limiting rotational period of neutron stars

International Nuclear Information System (INIS)

Glendenning, N.K.

1992-01-01

We seek an absolute limit on the rotational period for a neutron star as a function of its mass, based on the minimal constraints imposed by Einstein's theory of relativity, Le Chatelier's principle, causality, and a low-density equation of state, uncertainties in which can be evaluated as to their effect on the result. This establishes a limiting curve in the mass-period plane below which no pulsar that is a neutron star can lie. For example, the minimum possible Kepler period, which is an absolute limit on rotation below which mass shedding would occur, is 0.33 ms for a M=1.442M circle-dot neutron star (the mass of PSR1913+16). A still lower curve, based only on the structure of Einstein's equations, limits any star whatsoever to lie in the plane above it. Hypothetical stars such as strange stars, if the matter of which they are made is self-bound in bulk at a sufficiently large equilibrium energy density, can lie in the region above the general-relativistic forbidden region, and in the region forbidden to neutron stars

Molecular fountain.

Energy Technology Data Exchange (ETDEWEB)

Strecker, Kevin E.; Chandler, David W.

2009-09-01

A molecular fountain directs slowly moving molecules against gravity to further slow them to translational energies that they can be trapped and studied. If the molecules are initially slow enough they will return some time later to the position from which they were launched. Because this round trip time can be on the order of a second a single molecule can be observed for times sufficient to perform Hz level spectroscopy. The goal of this LDRD proposal was to construct a novel Molecular Fountain apparatus capable of producing dilute samples of molecules at near zero temperatures in well-defined user-selectable, quantum states. The slowly moving molecules used in this research are produced by the previously developed Kinematic Cooling technique, which uses a crossed atomic and molecular beam apparatus to generate single rotational level molecular samples moving slowly in the laboratory reference frame. The Kinematic Cooling technique produces cold molecules from a supersonic molecular beam via single collisions with a supersonic atomic beam. A single collision of an atom with a molecule occurring at the correct energy and relative velocity can cause a small fraction of the molecules to move very slowly vertically against gravity in the laboratory. These slowly moving molecules are captured by an electrostatic hexapole guiding field that both orients and focuses the molecules. The molecules are focused into the ionization region of a time-of-flight mass spectrometer and are ionized by laser radiation. The new molecular fountain apparatus was built utilizing a new design for molecular beam apparatus that has allowed us to miniaturize the apparatus. This new design minimizes the volumes and surface area of the machine allowing smaller pumps to maintain the necessary background pressures needed for these experiments.

Electron-impact excitation of molecular ions

International Nuclear Information System (INIS)

Neufeld, D.A.; Dalgarno, A.

1989-01-01

A simple expression is derived that relates the rate coefficient for dipole-allowed electron-impact excitation of a molecular ion in the Coulomb-Born approximation to the Einstein A coefficient for the corresponding radiative decay. Results are given for several molecular ions of astrophysical interest. A general analytic expression is obtained for the equilibrium rotational level populations in the ground vibrational state of any molecular ion excited by collisions with electrons. The expression depends only upon the electron temperature, the electron density, and the rotational constant of the molecular ion. A similar expression is obtained for neutral polar molecules

Rotating solid foam reactors : mass transfer and reaction rate

NARCIS (Netherlands)

Tschentscher, R.

2012-01-01

In this thesis the performance and applicability of rotating solid foam stirrers is investigated. The stirrer consists, thereby of a solid, highly porous structure, which is used as stirrer and catalyst support simultaneously. The solid foam block occupies a large part of the reactor volume.

Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry

Directory of Open Access Journals (Sweden)

Fiehn Oliver

2007-03-01

Full Text Available Abstract Background Structure elucidation of unknown small molecules by mass spectrometry is a challenge despite advances in instrumentation. The first crucial step is to obtain correct elemental compositions. In order to automatically constrain the thousands of possible candidate structures, rules need to be developed to select the most likely and chemically correct molecular formulas. Results An algorithm for filtering molecular formulas is derived from seven heuristic rules: (1 restrictions for the number of elements, (2 LEWIS and SENIOR chemical rules, (3 isotopic patterns, (4 hydrogen/carbon ratios, (5 element ratio of nitrogen, oxygen, phosphor, and sulphur versus carbon, (6 element ratio probabilities and (7 presence of trimethylsilylated compounds. Formulas are ranked according to their isotopic patterns and subsequently constrained by presence in public chemical databases. The seven rules were developed on 68,237 existing molecular formulas and were validated in four experiments. First, 432,968 formulas covering five million PubChem database entries were checked for consistency. Only 0.6% of these compounds did not pass all rules. Next, the rules were shown to effectively reducing the complement all eight billion theoretically possible C, H, N, S, O, P-formulas up to 2000 Da to only 623 million most probable elemental compositions. Thirdly 6,000 pharmaceutical, toxic and natural compounds were selected from DrugBank, TSCA and DNP databases. The correct formulas were retrieved as top hit at 80–99% probability when assuming data acquisition with complete resolution of unique compounds and 5% absolute isotope ratio deviation and 3 ppm mass accuracy. Last, some exemplary compounds were analyzed by Fourier transform ion cyclotron resonance mass spectrometry and by gas chromatography-time of flight mass spectrometry. In each case, the correct formula was ranked as top hit when combining the seven rules with database queries. Conclusion The

Development of an electrically driven molecular motor.

Science.gov (United States)

Murphy, Colin J; Sykes, E Charles H

2014-10-01

For molecules to be used as components in molecular machinery, methods are required that couple individual molecules to external energy sources in order to selectively excite motion in a given direction. While significant progress has been made in the construction of synthetic molecular motors powered by light and by chemical reactions, there are few experimental examples of electrically driven molecular motors. To this end, we pioneered the use of a new, stable and tunable molecular rotor system based on surface-bound thioethers to comprehensively study many aspects of molecular rotation. As biological molecular motors often operate at interfaces, our synthetic system is especially amenable to microscopic interrogation as compared to solution-based systems. Using scanning tunneling microscopy (STM) and density functional theory, we studied the rotation of surface-bound thioethers, which can be induced either thermally or by electrons from the STM tip in a two-terminal setup. Moreover, the temperature and electron flux can be adjusted to allow each rotational event to be monitored at the molecular scale in real time. This work culminated in the first experimental demonstration of a single-molecule electric motor, where the electrically driven rotation of a butyl methyl sulfide molecule adsorbed on a copper surface could be directionally biased. The direction and rate of the rotation are related to the chirality of both the molecule and the STM tip (which serves as the electrode), illustrating the importance of the symmetry of the metal contacts in atomic-scale electrical devices. Copyright © 2014 The Chemical Society of Japan and Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Distribution of rotational velocities for low-mass stars in the Pleiades

International Nuclear Information System (INIS)

Stauffer, J.R.; Hartmann, L.W.; Dominion Astrophysical Observatory, Victoria, Canada; Smithsonian Astrophysical Observatory, Cambridge, MA)

1987-01-01

The available spectral type and color data for late-type Pleiades members have been reanalyzed, and new reddening estimates are obtained. New photometry for a small number of stars and a compilation of H-alpha equivalent widths for Pleiades dwarfs are presented. These data are used to examine the location of the rapid rotators in color-magnitude diagrams and the correlation between chromospheric activity and rotation. It is shown that the wide range of angular momenta exhibited by Pleiades K and M dwarfs is not necessarily produced by a combination of main-sequence spin-downs and a large age spread; it can also result from a plausible spread in initial angular momenta, coupled with initial main-sequence spin-down rates that are only weakly dependent on rotation. The new reddening estimates confirm Breger's (1985) finding of large extinctions confined to a small region in the southern portion of the Merope nebula. 79 references

Study on electromagnetic constants of rotational bands

International Nuclear Information System (INIS)

Abdurazakov, A.A.; Adib, Yu.Sh.; Karakhodzhaev, A.K.

1991-01-01

Values of electromagnetic constant S and rotation bands of odd nuclei with Z=64-70 within the mass number change interval A=153-173 are determined. Values of γ-transition mixing parameter with M1+E2 multipolarity are presented. ρ parameter dependence on mass number A is discussed

THE H α EMISSION OF NEARBY M DWARFS AND ITS RELATION TO STELLAR ROTATION

Energy Technology Data Exchange (ETDEWEB)

Newton, Elisabeth R.; Irwin, Jonathan; Charbonneau, David; Berlind, Perry; Calkins, Michael L.; Mink, Jessica [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States)

2017-01-01

The high-energy emission from low-mass stars is mediated by the magnetic dynamo. Although the mechanisms by which fully convective stars generate large-scale magnetic fields are not well understood, it is clear that, as for solar-type stars, stellar rotation plays a pivotal role. We present 270 new optical spectra of low-mass stars in the Solar Neighborhood. Combining our observations with those from the literature, our sample comprises 2202 measurements or non-detections of H α emission in nearby M dwarfs. This includes 466 with photometric rotation periods. Stars with masses between 0.1 and 0.6 M {sub ⊙} are well-represented in our sample, with fast and slow rotators of all masses. We observe a threshold in the mass–period plane that separates active and inactive M dwarfs. The threshold coincides with the fast-period edge of the slowly rotating population, at approximately the rotation period at which an era of rapid rotational evolution appears to cease. The well-defined active/inactive boundary indicates that H α activity is a useful diagnostic for stellar rotation period, e.g., for target selection for exoplanet surveys, and we present a mass-period relation for inactive M dwarfs. We also find a significant, moderate correlation between L{sub Hα} / L{sub bol} and variability amplitude: more active stars display higher levels of photometric variability. Consistent with previous work, our data show that rapid rotators maintain a saturated value of L{sub Hα} / L {sub bol}. Our data also show a clear power-law decay in L{sub Hα} / L{sub bol} with Rossby number for slow rotators, with an index of −1.7 ± 0.1.

Temperature modulates the cell wall mechanical properties of rice coleoptiles by altering the molecular mass of hemicellulosic polysaccharides

Science.gov (United States)

Nakamura, Yukiko; Wakabayashi, Kazuyuki; Hoson, Takayuki

2003-01-01

The present study was conducted to investigate the mechanism inducing the difference in the cell wall extensibility of rice (Oryza sativa L. cv. Koshihikari) coleoptiles grown under various temperature (10-50 degrees C) conditions. The growth rate and the cell wall extensibility of rice coleoptiles exhibited the maximum value at 30-40 degrees C, and became smaller as the growth temperature rose or dropped from this temperature range. The amounts of cell wall polysaccharides per unit length of coleoptile increased in coleoptiles grown at 40 degrees C, but not at other temperature conditions. On the other hand, the molecular size of hemicellulosic polysaccharides was small at temperatures where the cell wall extensibility was high (30-40 degrees C). The autolytic activities of cell walls obtained from coleoptiles grown at 30 and 40 degrees C were substantially higher than those grown at 10, 20 and 50 degrees C. Furthermore, the activities of (1-->3),(1-->4)-beta-glucanases extracted from coleoptile cell walls showed a similar tendency. When oat (1-->3),(1-->4)-beta-glucans with high molecular mass were incubated with the cell wall enzyme preparations from coleoptiles grown at various temperature conditions, the extensive molecular mass downshifts were brought about only by the cell wall enzymes obtained from coleoptiles grown at 30-40 degrees C. There were close correlations between the cell wall extensibility and the molecular mass of hemicellulosic polysaccharides or the activity of beta -glucanases. These results suggest that the environmental temperature regulates the cell wall extensibility of rice coleoptiles by modifying mainly the molecular mass of hemicellulosic polysaccharides. Modulation of the activity of beta-glucanases under various temperature conditions may be involved in the alteration of the molecular size of hemicellulosic polysaccharides.

Physics, Formation and Evolution of Rotating Stars

CERN Document Server

Maeder, André

2009-01-01

Rotation is ubiquitous at each step of stellar evolution, from star formation to the final stages, and it affects the course of evolution, the timescales and nucleosynthesis. Stellar rotation is also an essential prerequisite for the occurrence of Gamma-Ray Bursts. In this book the author thoroughly examines the basic mechanical and thermal effects of rotation, their influence on mass loss by stellar winds, the effects of differential rotation and its associated instabilities, the relation with magnetic fields and the evolution of the internal and surface rotation. Further, he discusses the numerous observational signatures of rotational effects obtained from spectroscopy and interferometric observations, as well as from chemical abundance determinations, helioseismology and asteroseismology, etc. On an introductory level, this book presents in a didactical way the basic concepts of stellar structure and evolution in "track 1" chapters. The other more specialized chapters form an advanced course on the gradua...

High-Resolution Liquid Chromatography Tandem Mass Spectrometry Enables Large Scale Molecular Characterization of Dissolved Organic Matter

Directory of Open Access Journals (Sweden)

Daniel Petras

2017-12-01

Full Text Available Dissolved organic matter (DOM is arguably one of the most complex exometabolomes on earth, and is comprised of thousands of compounds, that together contribute more than 600 × 1015 g carbon. This reservoir is primarily the product of interactions between the upper ocean's microbial food web, yet abiotic processes that occur over millennia have also modified many of its molecules. The compounds within this reservoir play important roles in determining the rate and extent of element exchange between inorganic reservoirs and the marine biosphere, while also mediating microbe-microbe interactions. As such, there has been a widespread effort to characterize DOM using high-resolution analytical methods including nuclear magnetic resonance spectroscopy (NMR and mass spectrometry (MS. To date, molecular information in DOM has been primarily obtained through calculated molecular formulas from exact mass. This approach has the advantage of being non-targeted, accessing the inherent complexity of DOM. Molecular structures are however still elusive and the most commonly used instruments are costly. More recently, tandem mass spectrometry has been employed to more precisely identify DOM components through comparison to library mass spectra. Here we describe a data acquisition and analysis workflow that expands the repertoire of high-resolution analytical approaches available to access the complexity of DOM molecules that are amenable to electrospray ionization (ESI MS. We couple liquid chromatographic separation with tandem MS (LC-MS/MS and a data analysis pipeline, that integrates peak extraction from extracted ion chromatograms (XIC, molecular formula calculation and molecular networking. This provides more precise structural characterization. Although only around 1% of detectable DOM compounds can be annotated through publicly available spectral libraries, community-wide participation in populating and annotating DOM datasets could rapidly increase the

Rotating dilaton black holes with hair

International Nuclear Information System (INIS)

Kleihaus, Burkhard; Kunz, Jutta; Navarro-Lerida, Francisco

2004-01-01

We consider stationary rotating black holes in SU(2) Einstein-Yang-Mills theory, coupled to a dilaton. The black holes possess nontrivial non-Abelian electric and magnetic fields outside their regular event horizon. While generic solutions carry no non-Abelian magnetic charge, but non-Abelian electric charge, the presence of the dilaton field allows also for rotating solutions with no non-Abelian charge at all. As a consequence, these special solutions do not exhibit the generic asymptotic noninteger power falloff of the non-Abelian gauge field functions. The rotating black hole solutions form sequences, characterized by the winding number n and the node number k of their gauge field functions, tending to embedded Abelian black holes. The stationary non-Abelian black hole solutions satisfy a mass formula, similar to the Smarr formula, where the dilaton charge enters instead of the magnetic charge. Introducing a topological charge, we conjecture that black hole solutions in SU(2) Einstein-Yang-Mills-dilaton theory are uniquely characterized by their mass, their angular momentum, their dilaton charge, their non-Abelian electric charge, and their topological charge

Molecular weight determination of bisbenzyl-isoquinoline alkaloids by 252Cf-plasma desorption mass spectrometer

International Nuclear Information System (INIS)

Kohno, Hiroyuki; Tatsunami, Shinobu; Hiroi, Tomoko; Kouyama, Hiroshi; Taniguchi, Masashi; Yago, Nagasumi; Nakamura, Iwao

1995-01-01

Bisbenzylisoquinoline alkaloids of Stephania cepharantha have been used for various clinical purposes and recently reevaluated as stimulators of interleukin secretion in tissues. We analyzed molecular stuctures of bisbenzylisoquinoline alkaloids by determining their molecular weights using the 252 Cf-plasma desorption mass spectrometry (PDMS). The spectra were accumulated for 500 000 fission events. The acceleration voltage used here was 15 kV. Samples were analyzed using nitrocellulose-coated sample targets. Of the 5 alkaloids studied here, cepharanthine gave a main peak of molecular weight of 606.1 for the theoretical molecular weight of 606.7. The other minor peaks were considered to be demethylated fragment ions. 252 Cf-PDMS should be quite useful in studying structure, metabolism and pharmacokinetics of various drugs with extremely low coefficients of variation. (author)

Chemistry of the High-mass Protostellar Molecular Clump IRAS 16562–3959

Science.gov (United States)

Guzmán, Andrés E.; Guzmán, Viviana V.; Garay, Guido; Bronfman, Leonardo; Hechenleitner, Federico

2018-06-01

We present molecular line observations of the high-mass molecular clump IRAS 16562‑3959 taken at 3 mm using the Atacama Large Millimeter/submillimeter Array at 1.″7 angular resolution (0.014 pc spatial resolution). This clump hosts the actively accreting high-mass young stellar object (HMYSO) G345.4938+01.4677, which is associated with a hypercompact H II region. We identify and analyze emission lines from 22 molecular species (encompassing 34 isomers) and classify them into two groups, depending on their spatial distribution within the clump. One of these groups gathers shock tracers (e.g., SiO, SO, HNCO) and species formed in dust grains like methanol (CH3OH), ethenone or ketene (H2CCO), and acetaldehyde (CH3CHO). The second group collects species closely resembling the dust continuum emission morphology and are formed mainly in the gas phase, like hydrocarbons (CCH, c-C3H2, CH3CCH), cyanopolyynes (HC3N and HC5N), and cyanides (HCN and CH3C3N). Emission from complex organic molecules (COMs) like CH3OH, propanenitrile (CH3CH2CN), and methoxymethane (CH3OCH3) arise from gas in the vicinity of a hot molecular core (T ≳ 100 K) associated with the HMYSO. Other COMs such as propyne (CH3CCH), acrylonitrile (CH2CHCN), and acetaldehyde seem to better trace warm (T ≲ 80 K) dense gas. In addition, deuterated ammonia (NH2D) is detected mostly in the outskirts of IRAS 16562‑3959 and associated with near-infrared dark globules, probably gaseous remnants of the clump’s prestellar phase. The spatial distribution of molecules in IRAS 16562‑3959 supports the view that in protostellar clumps, chemical tracers associated with different evolutionary stages—starless to hot cores/H II regions—exist coevally.

Transport, dissociation and rotation of small self-interstitial atom clusters in tungsten

International Nuclear Information System (INIS)

Zhou, W.H.; Zhang, C.G.; Li, Y.G.; Zeng, Z.

2014-01-01

Numerical calculations have been performed to study the thermal motion of self-interstitial atom (SIA) clusters in tungsten (W). Molecular dynamics simulations show that SIA clusters exhibit a fast one-dimensional (1D) motion along the close packed 〈1 1 1〉 direction accompanied by a significant mass transport in this direction. A low frequency vibration mode is identified and considered to assist the motion of SIAs. The migration energy of SIA clusters are weakly dependent on their size in the average value of 0.019 eV, which is due to the strong interaction between SIAs revealed by calculating the potential energy curve of artificially moving the SIAs along 〈1 1 1〉 direction as well as nudged elastic band (NEB) method. The rotation process of SIA cluster is studied by activation–relaxation technique and the results show that SIA cluster presents complex rotation process. Our results on the motion SIA cluster may provide updated understanding on the performance decay of materials related to SIA defects

Basic molecular spectroscopy

CERN Document Server

Gorry, PA

1985-01-01

BASIC Molecular Spectroscopy discusses the utilization of the Beginner's All-purpose Symbolic Instruction Code (BASIC) programming language in molecular spectroscopy. The book is comprised of five chapters that provide an introduction to molecular spectroscopy through programs written in BASIC. The coverage of the text includes rotational spectra, vibrational spectra, and Raman and electronic spectra. The book will be of great use to students who are currently taking a course in molecular spectroscopy.

Position sensitive detection coupled to high-resolution time-of-flight mass spectrometry: Imaging for molecular beam deflection experiments

International Nuclear Information System (INIS)

Abd El Rahim, M.; Antoine, R.; Arnaud, L.; Barbaire, M.; Broyer, M.; Clavier, Ch.; Compagnon, I.; Dugourd, Ph.; Maurelli, J.; Rayane, D.

2004-01-01

We have developed and tested a high-resolution time-of-flight mass spectrometer coupled to a position sensitive detector for molecular beam deflection experiments. The major achievement of this new spectrometer is to provide a three-dimensional imaging (X and Y positions and time-of-flight) of the ion packet on the detector, with a high acquisition rate and a high resolution on both the mass and the position. The calibration of the experimental setup and its application to molecular beam deflection experiments are discussed

Structural features of lipoarabinomannan from Mycobacterium bovis BCG. Determination of molecular mass by laser desorption mass spectrometry.

Science.gov (United States)

Venisse, A; Berjeaud, J M; Chaurand, P; Gilleron, M; Puzo, G

1993-06-15

It was recently shown that mycobacterial lipoarabinomannan (LAM) can be classified into two types (Chatterjee, D., Lowell, K., Rivoire B., McNeil M. R., and Brennan, P. J. (1992) J. Biol. Chem. 267, 6234-6239) according to the presence or absence of mannosyl residues (Manp) located at the nonreducing end of the oligoarabinosyl side chains. These two types of LAM were found in a pathogenic Mycobacterium tuberculosis strain and in an avirulent M. tuberculosis strain, respectively, suggesting that LAM with Manp characterizes virulent and "disease-inducing strains." We now report the structure of the LAM from Mycobacterium bovis Bacille Calmette-Guérin (BCG) strain Pasteur, largely used throughout the world as vaccine against tuberculosis. Using an up-to-date analytical approach, we found that the LAM of M. bovis BCG belongs to the class of LAMs capped with Manp. By means of two-dimensional homonuclear and heteronuclear scalar coupling NMR analysis and methylation data, the sugar spin system assignments were partially established, revealing that the LAM contained two types of terminal Manp and 2-O-linked Manp. From the following four-step process: (i) partial hydrolysis of deacylated LAM (dLAM), (ii) oligosaccharide derivatization with aminobenzoic ethyl ester, (iii) HPLC purification, (iv) FAB/MS-MS analysis; it was shown that the dimannosyl unit alpha-D-Manp-(1-->2)-alpha-D-Manp is the major residue capping the termini of the arabinan of the LAM. In this report, LAM molecular mass determination was established using matrix-assisted UV-laser desorption/ionization mass spectrometry which reveals that the LAM molecular mass is around 17.4 kDa. The similarity of the LAM structures between M. bovis BCG and M. tuberculosis H37Rv is discussed in regard to their function in the immunopathology of mycobacterial infection.

Note: A versatile mass spectrometer chamber for molecular beam and temperature programmed desorption experiments

Energy Technology Data Exchange (ETDEWEB)

Tonks, James P., E-mail: james.tonks@awe.co.uk [Department of Mechanical Engineering Sciences, University of Surrey, Guildford, Surrey GU2 7XH (United Kingdom); AWE Plc, Aldermaston, Reading, Berkshire RG7 4PR (United Kingdom); Galloway, Ewan C., E-mail: ewan.galloway@awe.co.uk; King, Martin O. [AWE Plc, Aldermaston, Reading, Berkshire RG7 4PR (United Kingdom); Kerherve, Gwilherm [VACGEN Ltd, St. Leonards-On-Sea, East Sussex TN38 9NN (United Kingdom); Watts, John F. [Department of Mechanical Engineering Sciences, University of Surrey, Guildford, Surrey GU2 7XH (United Kingdom)

2016-08-15

A dual purpose mass spectrometer chamber capable of performing molecular beam scattering (MBS) and temperature programmed desorption (TPD) is detailed. Two simple features of this design allow it to perform these techniques. First, the diameter of entrance aperture to the mass spectrometer can be varied to maximize signal for TPD or to maximize angular resolution for MBS. Second, the mass spectrometer chamber can be radially translated so that it can be positioned close to the sample to maximize signal or far from the sample to maximize angular resolution. The performance of this system is described and compares well with systems designed for only one of these techniques.

Chemistry at molecular junctions: Rotation and dissociation of O2 on the Ag(110) surface induced by a scanning tunneling microscope.

Science.gov (United States)

Roy, Sharani; Mujica, Vladimiro; Ratner, Mark A

2013-08-21

The scanning tunneling microscope (STM) is a fascinating tool used to perform chemical processes at the single-molecule level, including bond formation, bond breaking, and even chemical reactions. Hahn and Ho [J. Chem. Phys. 123, 214702 (2005)] performed controlled rotations and dissociations of single O2 molecules chemisorbed on the Ag(110) surface at precise bias voltages using STM. These threshold voltages were dependent on the direction of the bias voltage and the initial orientation of the chemisorbed molecule. They also observed an interesting voltage-direction-dependent and orientation-dependent pathway selectivity suggestive of mode-selective chemistry at molecular junctions, such that in one case the molecule underwent direct dissociation, whereas in the other case it underwent rotation-mediated dissociation. We present a detailed, first-principles-based theoretical study to investigate the mechanism of the tunneling-induced O2 dynamics, including the origin of the observed threshold voltages, the pathway dependence, and the rate of O2 dissociation. Results show a direct correspondence between the observed threshold voltage for a process and the activation energy for that process. The pathway selectivity arises from a competition between the voltage-modified barrier heights for rotation and dissociation, and the coupling strength of the tunneling electrons to the rotational and vibrational modes of the adsorbed molecule. Finally, we explore the "dipole" and "resonance" mechanisms of inelastic electron tunneling to elucidate the energy transfer between the tunneling electrons and chemisorbed O2.

Rotation of the accreting white dwarfs and diversity of type Ia supernovae

International Nuclear Information System (INIS)

Uenishi, Tatsuhiro; Nomoto, Kenichi; Hachisu, Izumi

2003-01-01

We consider rotation of progenitor white dwarfs for a possible source of the diversity of Type Ia supernovae (SNe Ia). Hydrostatic structure of rotating white dwarfs with different masses are calculated. Evolutionary sequences of white dwarfs are explored and the effect of 'supercritical' rotation in binary system is examined. Possible effects of rotation to cause diversity of SNe Ia are discussed

Horizon structure of rotating Bardeen black hole and particle acceleration

International Nuclear Information System (INIS)

Ghosh, Sushant G.; Amir, Muhammed

2015-01-01

We investigate the horizon structure and ergosphere in a rotating Bardeen regular black hole, which has an additional parameter (g) due to the magnetic charge, apart from the mass (M) and the rotation parameter (a). Interestingly, for each value of the parameter g, there exists a critical rotation parameter (a = a E ), which corresponds to an extremal black hole with degenerate horizons, while for a < a E it describes a non-extremal black hole with two horizons, and no black hole for a > a E . We find that the extremal value a E is also influenced by the parameter g, and so is the ergosphere. While the value of a E remarkably decreases when compared with the Kerr black hole, the ergosphere becomes thicker with the increase in g.We also study the collision of two equal mass particles near the horizon of this black hole, and explicitly show the effect of the parameter g. The center-of-mass energy (E CM ) not only depend on the rotation parameter a, but also on the parameter g. It is demonstrated that the E CM could be arbitrarily high in the extremal cases when one of the colliding particles has a critical angular momentum, thereby suggesting that the rotating Bardeen regular black hole can act as a particle accelerator. (orig.)

MARVEL analysis of the rotational-vibrational states of the molecular ions H2D+ and D2H+.

Science.gov (United States)

Furtenbacher, Tibor; Szidarovszky, Tamás; Fábri, Csaba; Császár, Attila G

2013-07-07

Critically evaluated rotational-vibrational line positions and energy levels, with associated critically reviewed labels and uncertainties, are reported for two deuterated isotopologues of the H3(+) molecular ion: H2D(+) and D2H(+). The procedure MARVEL, standing for Measured Active Rotational-Vibrational Energy Levels, is used to determine the validated levels and lines and their self-consistent uncertainties based on the experimentally available information. The spectral ranges covered for the isotopologues H2D(+) and D2H(+) are 5.2-7105.5 and 23.0-6581.1 cm(-1), respectively. The MARVEL energy levels of the ortho and para forms of the ions are checked against ones determined from accurate variational nuclear motion computations employing the best available adiabatic ab initio potential energy surfaces of these isotopologues. The number of critically evaluated, validated and recommended experimental (levels, lines) are (109, 185) and (104, 136) for H2D(+) and D2H(+), respectively. The lists of assigned MARVEL lines and levels and variational levels obtained for H2D(+) and D2H(+) as part of this study are deposited in the ESI to this paper.

Vibration-rotational overtones absorption of solid hydrogens using optoacoustic spectroscopy technique

International Nuclear Information System (INIS)

Vieira, M.M.F.

1985-01-01

Vibrational-rotational overtones absorption solid hydrogens (H 2 , D 2 , HD) is studied using pulsed laser piezoeletric transducer (PULPIT) optoacoustic spectroscopy is studied. A general downward shift in energy from isolated molecular energies is observed. Studying normal-hydrogen it was observed that the phonon excitations associated with double-molecular transitions are predominantly transverse-optical phonons, whereas the excitations associated with single-molecular transitions are predominantly longitudinal - optical phonons. Multiplet structures were observed for certain double transitions in parahydrogen and orthodeuterium. The HD spectrum, besides presenting the sharp zero-phonon lines and the associated phonon side bands, like H 2 and D 2 , showed also two different features. This observation was common to all the transitions involving pure rotational excitation in H 2 and D 2 , which showed broad linewidths. This, together with some other facts (fluorescence lifetime *approx*10 5 sec; weak internal vibration and lattice coupling), led to the proposition of a mechanism for the fast nonradiative relaxation in solid hydrogens, implied from some observed experimental evidences. This relaxation, due to strong coupling, would happen in two steps: the internal vibration modes would relax to the rotational modes of the molecules, and then this rotational modes would relax to the lattice vibration modes. (Author) [pt

MOLECULAR OUTFLOWS IN THE SUBSTELLAR DOMAIN: MILLIMETER OBSERVATIONS OF YOUNG VERY LOW MASS OBJECTS IN TAURUS AND ρ OPHIUCHI

International Nuclear Information System (INIS)

Ngoc Phan-Bao; Lee, Chin-Fei; Ho, Paul T. P.; Tang, Ya-Wen

2011-01-01

We report here our search for molecular outflows from young very low mass stars and brown dwarfs in Taurus and ρ Ophiuchi. Using the Submillimeter Array and the Combined Array for Research in Millimeter-wave Astronomy, we have observed four targets at 1.3 mm wavelength (230 GHz) to search for CO J = 2 → 1 outflows. A young very low mass star MHO 5 (in Taurus) with an estimated mass of 90 M J , which is just above the hydrogen-burning limit, shows two gas lobes that are likely outflows. While the CO map of MHO 5 does not show a clear structure of outflow, possibly due to environment gas, its position-velocity diagram indicates two distinct blue- and redshifted components. We therefore conclude that they are components of a bipolar molecular outflow from MHO 5. We estimate an outflow mass of 7.0 x 10 -5 M sun and a mass-loss rate of 9.0 x 10 -10 M sun . These values are over two orders of magnitude smaller than the typical ones for T Tauri stars and somewhat weaker than those we have observed in the young brown dwarf ISO-Oph 102 of 60 M J in ρ Ophiuchi. This makes MHO 5 the first young very low mass star showing a bipolar molecular outflow in Taurus. The detection boosts the scenario that very low mass objects form like low-mass stars but in a version scaled down by a factor of over 100.

The role of ro-vibrational coupling in the revival dynamics of diatomic molecular wave packets

International Nuclear Information System (INIS)

Banerji, J; Ghosh, Suranjana

2006-01-01

We study the revival and fractional revivals of a diatomic molecular wave packet of circular states whose weighing coefficients are peaked about a vibrational quantum number ν-bar and a rotational quantum number j-bar. Furthermore, we show that the interplay between the rotational and vibrational motion is determined by a parameter γ =√D/C, where D is the dissociation energy and C is inversely proportional to the reduced mass of the two nuclei. Using I 2 and H 2 as examples, we show, both analytically and visually (through animations), that for γ>>ν-bar, j-bar, the rotational and vibrational time scales are so far apart that the ro-vibrational motion gets decoupled and the revival dynamics depends essentially on one time scale. For γ∼ν-bar, j-bar, on the other hand, the evolution of the wave packet depends crucially on both the rotational and vibrational time scales of revival. In the latter case, an interesting rotational-vibrational fractional revival is predicted and explained

PGOPHER: A program for simulating rotational, vibrational and electronic spectra

International Nuclear Information System (INIS)

Western, Colin M.

2017-01-01

The PGOPHER program is a general purpose program for simulating and fitting molecular spectra, particularly the rotational structure. The current version can handle linear molecules, symmetric tops and asymmetric tops and many possible transitions, both allowed and forbidden, including multiphoton and Raman spectra in addition to the common electric dipole absorptions. Many different interactions can be included in the calculation, including those arising from electron and nuclear spin, and external electric and magnetic fields. Multiple states and interactions between them can also be accounted for, limited only by available memory. Fitting of experimental data can be to line positions (in many common formats), intensities or band contours and the parameters determined can be level populations as well as rotational constants. PGOPHER is provided with a powerful and flexible graphical user interface to simplify many of the tasks required in simulating, understanding and fitting molecular spectra, including Fortrat diagrams and energy level plots in addition to overlaying experimental and simulated spectra. The program is open source, and can be compiled with open source tools. This paper provides a formal description of the operation of version 9.1. - Highlights: • Easy-to-use graphical interface for assigning and understanding molecular spectra. • Simulates rotational and vibrational structure of many types of molecular spectra. • Fits molecular properties to line positions or spectral contours. • Handles linear molecules and symmetric and asymmetric tops. • Handles perturbations, nuclear and electron spin, and electric and magnetic fields.

The Faraday rotation experiment. [solar corona

Science.gov (United States)

Volland, H.; Levy, G. S.; Bird, M. K.; Stelzried, C. T.; Seidel, B. L.

1984-01-01

The magnetized plasma of the solar corona was remotely sounded using the Faraday rotation effect. The solar magnetic field together with the electrons of the coronal plasma cause a measurable Faraday rotation effect, since the radio waves of Helios are linearly polarized. The measurement is performed at the ground stations. Alfven waves traveling from the Sun's surface through the corona into interplanetary space are observed. Helios 2 signals penetrating through a region where coronal mass is ejected show wavelike structures.

THE RADIO ACTIVITY-ROTATION RELATION OF ULTRACOOL DWARFS

International Nuclear Information System (INIS)

McLean, M.; Berger, E.; Reiners, A.

2012-01-01

We present a new radio survey of about 100 late-M and L dwarfs undertaken with the Very Large Array. The sample was chosen to explore the role of rotation in the radio activity of ultracool dwarfs. As part of the survey we discovered radio emission from three new objects, 2MASS J 0518113 – 310153 (M6.5), 2MASS J 0952219 – 192431 (M7), and 2MASS J 1314203 + 132001 (M7), and made an additional detection of LP 349-25 (M8). Combining the new sample with results from our previous studies and from the literature, we compile the largest sample to date of ultracool dwarfs with radio observations and measured rotation velocities (167 objects). In the spectral type range M0-M6 we find a radio activity-rotation relation, with saturation at L rad /L bol ≈ 10 –7.5 above vsin i ≈ 5 km s –1 , similar to the relation in Hα and X-rays. However, at spectral types ∼> M7 the ratio of radio to bolometric luminosity increases significantly regardless of rotation velocity, and the scatter in radio luminosity increases. In particular, while the most rapid rotators (vsin i ∼> 20 km s –1 ) exhibit 'super-saturation' in X-rays and Hα, this effect is not seen in the radio. We also find that ultracool dwarfs with vsin i ∼> 20 km s –1 have a higher radio detection fraction by about a factor of three compared to objects with vsin i ∼ –1 . When measured in terms of the Rossby number (Ro), the radio activity-rotation relation follows a single trend and with no apparent saturation from G to L dwarfs and down to Ro ∼ 10 –3 ; in X-rays and Hα there is clear saturation at Ro ∼ rad /R 2 * ) as a function of Ro. The continued role of rotation in the overall level of radio activity and in the fraction of active sources, and the single trend of L rad /L bol and L rad /R 2 * as a function of Ro from G to L dwarfs, indicates that rotation effects are important in regulating the topology or strength of magnetic fields in at least some fully convective dwarfs. The fact that

Rotational Spectra of Adrenaline and Noradrenaline

Science.gov (United States)

Cortijo, V.; López, J. C.; Alonso, J. L.

2009-06-01

The emergence of Laser Ablation Molecular Beam Fourier Transform Microwave (LA-MB-FTMW) spectroscopy has rendered accessible the gas-phase study of solid biomolecules with high melting points. Among the biomolecules to benefit from this technique, neurotransmitters have received special attention due to the lack of experimental information and their biological relevance. As a continuation of the we present the study of adrenaline and noradrenaline. The comparison between the experimental rotational and ^{14}N nuclear quadrupole coupling constants and those calculated ab initio provide a definitive test for molecular structures and confirm unambiguously the identification of four conformers of adrenaline and three conformers of noradrenaline. Their relative population in the jet has been evaluated by relative intensity measurements of selected rotational transitions. The most abundant conformer in both neurotransmitters present an extended AG configuration with a O-H\\cdotsN hydrogen bond in the side chain. J.L. Alonso, M.E. Sanz, J.C. López and V. Cortijo, J. Am. Chem. Soc. (in press), 2009

Asteroids mass determination

International Nuclear Information System (INIS)

Hoffmann, M.

1989-01-01

Basic methods for asteroid mass determinations and their errors are discussed. New results and some current developments in the astrometric method are reviewed. New methods and techniques, such as electronic imaging, radar ranging and space probes are becoming important for asteroid mass determinations. Mass and density estimations on rotational properties and possible satelites are also discussed

Neutrons and numerical methods. A new look at rotational tunneling

Energy Technology Data Exchange (ETDEWEB)

Johnson, M R; Kearley, G J [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France)

1997-04-01

Molecular modelling techniques are easily adapted to calculate rotational potentials in crystals of simple molecular compounds. A comparison with the potentials obtained from the tunnelling spectra provides a stringent means for validating current methods of calculating Van der Waals, Coulomb and covalent terms. (author). 5 refs.

Rotating hairy black holes in arbitrary dimensions

Science.gov (United States)

Erices, Cristián; Martínez, Cristián

2018-01-01

A class of exact rotating black hole solutions of gravity nonminimally coupled to a self-interacting scalar field in arbitrary dimensions is presented. These spacetimes are asymptotically locally anti-de Sitter manifolds and have a Ricci-flat event horizon hiding a curvature singularity at the origin. The scalar field is real and regular everywhere, and its effective mass, coming from the nonminimal coupling with the scalar curvature, saturates the Breitenlohner-Freedman bound for the corresponding spacetime dimension. The rotating black hole is obtained by applying an improper coordinate transformation to the static one. Although both spacetimes are locally equivalent, they are globally different, as it is confirmed by the nonvanishing angular momentum of the rotating black hole. It is found that the mass is bounded from below by the angular momentum, in agreement with the existence of an event horizon. The thermodynamical analysis is carried out in the grand canonical ensemble. The first law is satisfied, and a Smarr formula is exhibited. The thermodynamical local stability of the rotating hairy black holes is established from their Gibbs free energy. However, the global stability analysis establishes that the vacuum spacetime is always preferred over the hairy black hole. Thus, the hairy black hole is likely to decay into the vacuum one for any temperature.

THE MASS-DEPENDENCE OF ANGULAR MOMENTUM EVOLUTION IN SUN-LIKE STARS

International Nuclear Information System (INIS)

Matt, Sean P.; Baraffe, Isabelle; Chabrier, Gilles; Brun, A. Sacha; Bouvier, Jérôme

2015-01-01

To better understand the observed distributions of the rotation rate and magnetic activity of Sun-like and low-mass stars, we derive a physically motivated scaling for the dependence of the stellar wind torque on the Rossby number. The torque also contains an empirically derived scaling with stellar mass (and radius), which provides new insight into the mass-dependence of stellar magnetic and wind properties. We demonstrate that this new formulation explains why the lowest mass stars are observed to maintain rapid rotation for much longer than solar-mass stars, and simultaneously why older populations exhibit a sequence of slowly rotating stars, in which the low-mass stars rotate more slowly than solar-mass stars. The model also reproduces some previously unexplained features in the period-mass diagram for the Kepler field, notably: the particular shape of the ''upper envelope'' of the distribution, suggesting that ∼95% of Kepler field stars with measured rotation periods are younger than ∼4 Gyr; and the shape of the ''lower envelope'', corresponding to the location where stars transition between magnetically saturated and unsaturated regimes

Ordinary Dark Matter versus Mysterious Dark Matter in Galactic Rotation

Science.gov (United States)

Gallo, C. F.; Feng, James

2008-04-01

To theoretically describe the measured rotational velocity curves of spiral galaxies, there are two different approaches and conclusions. (1) ORDINARY DARK MATTER. We assume Newtonian gravity/dynamics and successfully find (via computer) mass distributions in bulge/disk configurations that duplicate the measured rotational velocities. There is ordinary dark matter within the galactic disk towards the cooler periphery which has lower emissivity/opacity. There are no mysteries in this scenario based on verified physics. (2) MYSTERIOUS DARK MATTER. Others INaccurately assume the galactic mass distributions follow the measured light distributions, and then the measured rotational velocity curves are NOT duplicated. To alleviate this discrepancy, speculations are invoked re ``Massive Peripheral Spherical Halos of Mysterious Dark Matter.'' But NO matter has been detected in this UNtenable Halo configuration. Many UNverified ``Mysteries'' are invoked as necessary and convenient. CONCLUSION. The first approach utilizing Newtonian gravity/dynamics and searching for the ordinary mass distributions within the galactic disk simulates reality and agrees with data.

Photoelectron spectroscopy of supersonic molecular beams

International Nuclear Information System (INIS)

Pollard, J.E.

1982-05-01

A new technique for performing high resolution molecular photoelectron spectroscopy is described, beginning with its conceptual development, through the construction of a prototypal apparatus, to the initial applications on a particularly favorable molecular system. The distinguishing features of this technique are: (1) the introduction of the sample in the form of a collimated supersonic molecular beam; and (2) the use of an electrostatic deflection energy analyzer which is carefully optimized in terms of sensitivity and resolution. This combination makes it possible to obtain photoelectron spectra at a new level of detail for many small molecules. Three experiments are described which rely on the capability to perform rotationally-resolved photoelectron spectroscopy on the hydrogen molecule and its isotopes. The first is a measurement of the ionic vibrational and rotational spectroscopic constants and the vibrationally-selected photoionization cross sections. The second is a determination of the photoelectron asymmetry parameter, β, for selected rotational transitions. The third is an investigation of the rotational relaxation in a free jet expansion, using photoelectron spectroscopy as a probe of the rotational state population distributions. In the closing chapter an assessment is made of the successes and limitations of the technique, and an indication is given of areas for further improvement in future spectrometers

Profiling the indole alkaloids in yohimbe bark with ultra-performance liquid chromatography coupled with ion mobility quadrupole time-of-flight mass spectrometry.

Science.gov (United States)

Sun, Jianghao; Baker, Andrew; Chen, Pei

2011-09-30

An ultra-performance liquid chromatography/ion mobility quadrupole time-of-flight mass spectrometry (UPLC/IM-QTOF-MS) method was developed for profiling the indole alkaloids in yohimbe bark. Many indole alkaloids with the yohimbine or ajmalicine core structure, plus methylated, oxidized and reduced species, were characterized. Common fragments and mass differences are described. It was shown that the use of IMS could provide another molecular descriptor, i.e. molecular shape by rotationally averaged collision cross-section; this is of great value for identification of constituents when reference materials are usually not available. Using the combination of high resolution (~40000) accurate mass measurement with time-aligned parallel (TAP) fragmentation, MS(E) (where E represents collision energy), ion mobility mass spectrometry (IMS) and UPLC chromatography, a total 55 indole alkaloids were characterized and a few new indole alkaloids are reported for the first time. Published in 2011 by John Wiley & Sons, Ltd.

Linking the formation of molecular clouds and high-mass stars: a multi-tracer and multi-scale study

International Nuclear Information System (INIS)

Nguyen-Luong, Quang

2012-01-01

Star formation is a complex process involving many physical processes acting from the very large scales of the galaxy to the very small scales of individual stars. Among the highly debated topics, the gas to star-formation-rate (SFR) relation is an interesting topic for both the galactic and extragalactic communities. Although it is studied extensively for external galaxies, how this relation behaves with respect to the molecular clouds of the Milky Way is still unclear. The detailed mechanisms of the formation of molecular clouds and stars, especially high-mass stars, are still not clear. To tackle these two questions, we investigate the molecular cloud formation and the star formation activities in the W43 molecular cloud complex and the G035.39-00.33 filament. The first goal is to infer the connections of the gas-SFR relations of these two objects to those of other galactic molecular clouds and to extragalactic ones. The second goal is to look for indications that the converging flows theory has formed the W43 molecular cloud since it is the first theory to explain star formation self-consistently, from the onset of molecular clouds to the formation of seeds of (high-mass) stars. We use a large dataset of continuum tracers at 3.6--870 μm extracted from Galaxy-wide surveys such as HOBYS, EPOS, Hi-GAL, ATLASGAL, GLIMPSE, and MIPSGAL to trace the cloud structure, mass and star formation activities of both the W43 molecular cloud complex and the G035.39-00.33 filament. To explore the detailed formation mechanisms of the molecular cloud in W43 from low-density to very high-density gas, we take advantage of the existing H_I, "1"3CO 1-0 molecular line data from the VGPS and GRS surveys in combination with the new dedicated molecular line surveys with the IRAM 30 m. We characterise the W43 molecular complex as being a massive complex (M(total) ∼ 7.1 *10"6 M. over spatial extent of ∼ 140 pc), which has a high concentration of dense clumps (M(clumps) ∼ 8.4*10"5 M

Magnetism of iron, cobalt and nickel clusters studied in molecular beams

International Nuclear Information System (INIS)

Billas, I.

1995-01-01

The magnetic properties of iron, cobalt and nickel clusters in a molecular beam have been studied in a magnetic Stern-Gerlach deflection experiment. The molecular beam apparatus consists of a laser vaporization cluster source with high intensity and stability and a high-resolution time-of-flight mass spectrometer for the deflection measurements. Several novel experimental features have been developed in this work, like a nozzle which can be heated up to 1000 K and a chopper to measure the dwell times of the clusters in the source and their corresponding velocities. These new developments have allowed the measurement and the control of the temperature of the free clusters. The Stern-Gerlach deflection experiments have been performed on Fe, Co and Ni clusters in the mass range from 20 to 700 atoms. All clusters show single-sided deflection toward increasing field. This observation indicates that a spin relaxation process occurs within the isolated clusters. The participation of both the cluster rotational and vibrational degrees of freedom to the spin relaxation has been experimentally demonstrated. The cluster magnetization has been determined as a function of applied magnetic field B and as a function of dwell times of the clusters in the source before the supersonic expansion into vacuum. Superparamagnetic behavior has been observed when the cluster rotational speed is much larger than the Larmor frequency of the cluster magnetic moment μ in the field B. In particular, for μB<< kT, the cluster magnetization depends on B/T. For lower rotational speeds, reduced values of the magnetization have been observed. The magnetic moments of the superparamagnetic Fe, Co and Ni clusters have been measured as a) a function of cluster size N at low temperature and b) as a function of cluster temperature T for various size ranges. (author) figs., tabs., refs

Detailed molecular characterization of castor oil ethoxylates by liquid chromatography multistage mass spectrometry.

Science.gov (United States)

Nasioudis, Andreas; van Velde, Jan W; Heeren, Ron M A; van den Brink, Oscar F

2011-10-07

The molecular characterization of castor oil ethoxylates (CASEOs) was studied by reverse-phase liquid chromatography (RPLC) mass spectrometry (MS) and multistage mass spectrometry (MS(n)). The developed RPLC method allowed the separation of the various CASEO components, and especially, the baseline separation of multiple nominal isobars (same nominal mass) and isomers (same exact mass). MS and MS(n) were used for the determination and structure elucidation of various structures and for the discrimination of the isobars and isomers. Different ionization techniques and adduct ions were also tested for optimization of the MS detection and the MS(n) fragmentation. A unique fragmentation pathway of ricinoleic acid is proposed, which can be used as a marker of the polymerization process and the topology of ethoxylation in the CASEO. In addition, characteristic neutral losses of ricinoleic acid reveal its (terminal or internal) position in the molecule. Copyright © 2011 Elsevier B.V. All rights reserved.

Matching asteroid population characteristics with a model constructed from the YORP-induced rotational fission hypothesis

Science.gov (United States)

Jacobson, Seth A.; Marzari, Francesco; Rossi, Alessandro; Scheeres, Daniel J.

2016-10-01

From the results of a comprehensive asteroid population evolution model, we conclude that the YORP-induced rotational fission hypothesis is consistent with the observed population statistics of small asteroids in the main belt including binaries and contact binaries. These conclusions rest on the asteroid rotation model of Marzari et al. ([2011]Icarus, 214, 622-631), which incorporates both the YORP effect and collisional evolution. This work adds to that model the rotational fission hypothesis, described in detail within, and the binary evolution model of Jacobson et al. ([2011a] Icarus, 214, 161-178) and Jacobson et al. ([2011b] The Astrophysical Journal Letters, 736, L19). Our complete asteroid population evolution model is highly constrained by these and other previous works, and therefore it has only two significant free parameters: the ratio of low to high mass ratio binaries formed after rotational fission events and the mean strength of the binary YORP (BYORP) effect. We successfully reproduce characteristic statistics of the small asteroid population: the binary fraction, the fast binary fraction, steady-state mass ratio fraction and the contact binary fraction. We find that in order for the model to best match observations, rotational fission produces high mass ratio (> 0.2) binary components with four to eight times the frequency as low mass ratio (<0.2) components, where the mass ratio is the mass of the secondary component divided by the mass of the primary component. This is consistent with post-rotational fission binary system mass ratio being drawn from either a flat or a positive and shallow distribution, since the high mass ratio bin is four times the size of the low mass ratio bin; this is in contrast to the observed steady-state binary mass ratio, which has a negative and steep distribution. This can be understood in the context of the BYORP-tidal equilibrium hypothesis, which predicts that low mass ratio binaries survive for a significantly

Additional measurements of pre-main-sequence stellar rotation

International Nuclear Information System (INIS)

Hartmann, L.; Stauffer, J.R.

1989-01-01

New rotational-velocity measurements for pre-main-sequence stars in the Taurus-Auriga molecular cloud are reported. Rotational velocities or upper limits of 10 km/s are now available for 90 percent of the T Tauri stars with V less than 14.7 in the catalog of Cohen and Kuhi. Measurements of 'continuum emission' stars, thought to be accreting high-angular-momentum material from a circumstellar disk, show that these objects are not especially rapid rotators. The results confirm earlier findings that angular-momentum loss proceeds very efficiently in the earliest stages of star formation, and suggest that stars older than about one million yr contract to the main sequence at nearly constant angular momentum. The slow rotation of T Tauri stars probably requires substantial angular-momentum loss via a magnetically coupled wind. 35 references

SDSS-IV MaNGA: the different quenching histories of fast and slow rotators

Science.gov (United States)

Smethurst, R. J.; Masters, K. L.; Lintott, C. J.; Weijmans, A.; Merrifield, M.; Penny, S. J.; Aragón-Salamanca, A.; Brownstein, J.; Bundy, K.; Drory, N.; Law, D. R.; Nichol, R. C.

2018-01-01

Do the theorized different formation mechanisms of fast and slow rotators produce an observable difference in their star formation histories? To study this, we identify quenching slow rotators in the MaNGA sample by selecting those that lie below the star-forming sequence and identify a sample of quenching fast rotators that were matched in stellar mass. This results in a total sample of 194 kinematically classified galaxies, which is agnostic to visual morphology. We use u - r and NUV - u colours from the Sloan Digital Sky Survey and GALEX and an existing inference package, STARPY, to conduct a first look at the onset time and exponentially declining rate of quenching of these galaxies. An Anderson-Darling test on the distribution of the inferred quenching rates across the two kinematic populations reveals they are statistically distinguishable (3.2σ). We find that fast rotators quench at a much wider range of rates than slow rotators, consistent with a wide variety of physical processes such as secular evolution, minor mergers, gas accretion and environmentally driven mechanisms. Quenching is more likely to occur at rapid rates (τ ≲ 1 Gyr) for slow rotators, in agreement with theories suggesting slow rotators are formed in dynamically fast processes, such as major mergers. Interestingly, we also find that a subset of the fast rotators quench at these same rapid rates as the bulk of the slow rotator sample. We therefore discuss how the total gas mass of a merger, rather than the merger mass ratio, may decide a galaxy's ultimate kinematic fate.

The distribution of rotational velocities for low-mass stars in the Pleiades

Science.gov (United States)

Stauffer, John R.; Hartmann, Lee W.

1987-01-01

The available spectral type and color data for late-type Pleiades members have been reanalyzed, and new reddening estimates are obtained. New photometry for a small number of stars and a compilation of H-alpha equivalent widths for Pleiades dwarfs are presented. These data are used to examine the location of the rapid rotators in color-magnitude diagrams and the correlation between chromospheric activity and rotation. It is shown that the wide range of angular momenta exhibited by Pleiades K and M dwarfs is not necessarily produced by a combination of main-sequence spin-downs and a large age spread; it can also result from a plausible spread in initial angular momenta, coupled with initial main-sequence spin-down rates that are only weakly dependent on rotation. The new reddening estimates confirm Breger's (1985) finding of large extinctions confined to a small region in the southern portion of the Merope nebula.

Rotation in a gravitational billiard

Science.gov (United States)

Peraza-Mues, G. G.; Carvente, Osvaldo; Moukarzel, Cristian F.

Gravitational billiards composed of a viscoelastic frictional disk bouncing on a vibrating wedge have been studied previously, but only from the point of view of their translational behavior. In this work, the average rotational velocity of the disk is studied under various circumstances. First, an experimental realization is briefly presented, which shows sustained rotation when the wedge is tilted. Next, this phenomenon is scrutinized in close detail using a precise numerical implementation of frictional forces. We show that the bouncing disk acquires a spontaneous rotational velocity whenever the wedge angle is not bisected by the direction of gravity. Our molecular dynamics (MD) results are well reproduced by event-driven (ED) simulations. When the wedge aperture angle θW>π/2, the average tangential velocity Rω¯ of the disk scales with the typical wedge vibration velocity vb, and is in general a nonmonotonic function of the overall tilt angle θT of the wedge. The present work focuses on wedges with θW=2π/3, which are relevant for the problem of spontaneous rotation in vibrated disk packings. This study makes part of the PhD Thesis of G. G. Peraza-Mues.

Single rotating stars and the formation of bipolar planetary nebula

Energy Technology Data Exchange (ETDEWEB)

García-Segura, G. [Instituto de Astronomía, Universidad Nacional Autónoma de Mexico, Km. 103 Carr. Tijuana-Ensenada, 22860 Ensenada, B. C. (Mexico); Villaver, E. [Departamento de Física Teórica, Universidad Autónoma de Madrid, Cantoblanco, E-28049 Madrid (Spain); Langer, N. [Argelander-Institut für Astronomie, Universität Bonn, D-53121 Bonn (Germany); Yoon, S.-C. [Astronomy Program, Department of Physics and Astronomy, Seoul National University, Seoul, 151-747 (Korea, Republic of); Manchado, A., E-mail: ggs@astrosen.unam.mx [Instituto de Astrofísica de Canarias, Via Láctea s/n, E-38200 La Laguna, Tenerife (Spain)

2014-03-10

We have computed new stellar evolution models that include the effects of rotation and magnetic torques under different hypotheses. The goal is to test whether a single star can sustain the rotational velocities needed in the envelope for magnetohydrodynamical(MHD) simulations to shape bipolar planetary nebulae (PNe) when high mass-loss rates take place. Stellar evolution models with main sequence masses of 2.5 and 5 M {sub ☉} and initial rotational velocities of 250 km s{sup –1} have been followed through the PNe formation phase. We find that stellar cores have to be spun down using magnetic torques in order to reproduce the rotation rates observed for white dwarfs. During the asymptotic giant branch phase and beyond, the magnetic braking of the core has a practically null effect on increasing the rotational velocity of the envelope since the stellar angular momentum is efficiently removed by the wind. We have also tested the best possible case scenarios in rather non-physical contexts to give enough angular momentum to the envelope. We find that we cannot get the envelope of a single star to rotate at the speeds needed for MHD simulations to form bipolar PNe. We conclude that single stellar rotators are unlikely to be the progenitors of bipolar PNe under the current MHD model paradigm.

THE MASS-SIZE RELATION FROM CLOUDS TO CORES. I. A NEW PROBE OF STRUCTURE IN MOLECULAR CLOUDS

International Nuclear Information System (INIS)

Kauffmann, J.; Shetty, R.; Goodman, A. A.; Pillai, T.; Myers, P. C.

2010-01-01

We use a new contour-based map analysis technique to measure the mass and size of molecular cloud fragments continuously over a wide range of spatial scales (0.05 ≤ r/pc ≤ 10), i.e., from the scale of dense cores to those of entire clouds. The present paper presents the method via a detailed exploration of the Perseus molecular cloud. Dust extinction and emission data are combined to yield reliable scale-dependent measurements of mass. This scale-independent analysis approach is useful for several reasons. First, it provides a more comprehensive characterization of a map (i.e., not biased toward a particular spatial scale). Such a lack of bias is extremely useful for the joint analysis of many data sets taken with different spatial resolution. This includes comparisons between different cloud complexes. Second, the multi-scale mass-size data constitute a unique resource to derive slopes of mass-size laws (via power-law fits). Such slopes provide singular constraints on large-scale density gradients in clouds.

Pulsed flow modulation two-dimensional comprehensive gas chromatography-tandem mass spectrometry with supersonic molecular beams.

Science.gov (United States)

Poliak, Marina; Fialkov, Alexander B; Amirav, Aviv

2008-11-07

Pulsed flow modulation (PFM) two-dimensional comprehensive gas chromatography (GC x GC) was combined with quadrupole-based mass spectrometry (MS) via a supersonic molecular beam (SMB) interface using a triple-quadrupole system as the base platform, which enabled tandem mass spectrometry (MS-MS). PFM is a simple GC x GC modulator that does not consume cryogenic gases while providing tunable second GC x GC column injection time for enabling the use of quadrupole-based mass spectrometry regardless its limited scanning speed. The 20-ml/min second column flow rate involved with PFM is handled, splitless, by the SMB interface without affecting the sensitivity. The combinations of PFM GC x GC-MS with SMB and PFM GC x GC-MS-MS with SMB were explored with the analysis of diazinon and permethrin in coriander. PFM GC x GC-MS with SMB is characterized by enhanced molecular ion and tailing-free fast ion source response time. It enables universal pesticide analysis with full scan and data analysis with reconstructed single ion monitoring on the enhanced molecular ion and another prominent high mass fragment ion. The elimination of the third fragment ion used in standard three ions method results in significantly reduced matrix interference. GC x GC-MS with SMB improves the GC separation, and thereby our ability for sample identification using libraries. GC-MS-MS with SMB provides better reduction (elimination) of matrix interference than GC x GC-MS. However, it is a target method, which is not always applicable. GC x GC-MS-MS does not seem to further reduce matrix interferences over GC-MS-MS and unlike GC x GC-MS, it is incompatible with library identification, but it is beneficial to have both GC x GC and MS-MS capabilities in the same system.

Rotational spectrum of tryptophan

Energy Technology Data Exchange (ETDEWEB)

Sanz, M. Eugenia, E-mail: maria.sanz@kcl.ac.uk; Cabezas, Carlos, E-mail: ccabezas@qf.uva.es; Mata, Santiago, E-mail: santiago.mata@uva.es; Alonso, Josè L., E-mail: jlalonso@qf.uva.es [Grupo de Espectroscopia Molecular (GEM), Edificio Quifima, Laboratorios de Espectroscopia y Bioespectroscopia, Unidad Asociada CSIC, Parque Científico Uva, Universidad de Valladolid, 47011 Valladolid (Spain)

2014-05-28

The rotational spectrum of the natural amino acid tryptophan has been observed for the first time using a combination of laser ablation, molecular beams, and Fourier transform microwave spectroscopy. Independent analysis of the rotational spectra of individual conformers has conducted to a definitive identification of two different conformers of tryptophan, with one of the observed conformers never reported before. The analysis of the {sup 14}N nuclear quadrupole coupling constants is of particular significance since it allows discrimination between structures, thus providing structural information on the orientation of the amino group. Both observed conformers are stabilized by an O–H···N hydrogen bond in the side chain and a N–H···π interaction forming a chain that reinforce the strength of hydrogen bonds through cooperative effects.

A rotating bag model for hadrons. 2

International Nuclear Information System (INIS)

Iwasaki, Masaharu

1994-01-01

The MIT bag model is modified in order to describe rotational motion of hadrons. It has a kind of 'diatomic molecular' structure; The rotational excitation of the MIT bag is described by the polarized two colored sub-bags which are connected with each other by the gluon flux. One sub-bag contains a quark and the other has an antiquark for mesons. For baryons, the latter sub-bag contains the remaining two quarks instead of the antiquark. The Regge trajectories of hadrons are explained qualitatively by our new model with the usual MIT bag parameters. In particular the Regge slopes are reproduced fairly well. It is also pointed out that the gluon flux plays an important role in the rotational motion of hadrons. (author)

26Al yields from rotating Wolf--Rayet star models

OpenAIRE

Vuissoz, C.; Meynet, G.; Knoedlseder, J.; Cervino, M.; Schaerer, D.; Palacios, A.; Mowlavi, N.

2003-01-01

We present new $^{26}$Al stellar yields from rotating Wolf--Rayet stellar models which, at solar metallicity, well reproduce the observed properties of the Wolf-Rayet populations. These new yields are enhanced with respect to non--rotating models, even with respect to non--rotating models computed with enhanced mass loss rates. We briefly discuss some implications of the use of these new yields for estimating the global contribution of Wolf-Rayet stars to the quantity of $^{26}$Al now present...

Rotation and Radiation Effects on MHD Flow through Porous Medium Past a Vertical Plate with Heat and Mass Transfer

Directory of Open Access Journals (Sweden)

Uday Singh Rajput

2017-11-01

Full Text Available Effects of rotation and radiation on unsteady MHD flow past a vertical plate with variable wall temperature and mass diffusion in the presence of Hall current is studied here. Earlier we studied chemical reaction effect on unsteady MHD flow past an exponentially accelerated inclined plate with variable temperature and mass diffusion in the presence of Hall current. We had obtained the results which were in agreement with the desired flow phenomenon. To study further, we are changing the model by considering radiation effect on fluid, and changing the geometry of the model. Here in this paper we are taking the plate positioned vertically upward and rotating with velocity Ω . Further, medium of the flow is taken as porous. The plate temperature and the concentration level near the plate increase linearly with time. The governing system of partial differential equations is transformed to dimensionless equations using dimensionless variables. The dimensionless equations under consideration have been solved by Laplace transform technique. The model contains equations of motion, diffusion equation and equation of energy. To analyze the solution of the model, desirable sets of the values of the parameters have been considered. The governing equations involved in the flow model are solved by the Laplace-transform technique. The results obtained have been analyzed with the help of graphs drawn for different parameters. The numerical values obtained for the drag at boundary and Nusselt number have been tabulated. We found that the values obtained for velocity, concentration and temperature are in concurrence with the actual flow of the fluid

Molecular treatment of He++H collisions

International Nuclear Information System (INIS)

Macias, A.; Riera, A.; Yanez, M.

1981-01-01

Total cross sections for the reactions 4 He + (1s)+H(1s)→ 4 He + (1s)+H(2p), 4 He + (1s) + H(1s)→ 4 He(1s2p /sup 1,3/P)+H + are calculated in an impact-parameter formalism, for collision energies 0.5--30 keV, using a molecular approach. The molecular energies are calculated at large internuclear distances by a configuration-interaction method, and at short distances by a block-diagonalization method. The radial couplings between the molecular wave functions are evaluated exactly, and turn out to depend strongly on the choice of origin of electronic coordinates; as a consequence, the cross sections also depend on this choice. The effect of the anomalous rotational couplings which decrease like R -1 is shown to be negligible, and a method to integrate them is proposed in the Appendix. Choosing the center of mass as origin of electronic coordinates, we obtain good agreement with experimental data, but we find no a priori reason to favor this choice. As an important conclusion, the main effect of the so-called momentum-transfer problem, which is the origin dependence of the cross sections, is due to the form of the molecular wave functions at short internuclear distances

Definition of the mitochondrial proteome by measurement of molecular masses of membrane proteins

Science.gov (United States)

Carroll, Joe; Fearnley, Ian M.; Walker, John E.

2006-01-01

The covalent structure of a protein is incompletely defined by its gene sequence, and mass spectrometric analysis of the intact protein is needed to detect the presence of any posttranslational modifications. Because most membrane proteins are purified in detergents that are incompatible with mass spectrometric ionization techniques, this essential measurement has not been made on many hydrophobic proteins, and so proteomic data are incomplete. We have extracted membrane proteins from bovine mitochondria and detergent-purified NADH:ubiquinone oxidoreductase (complex I) with organic solvents, fractionated the mixtures by hydrophilic interaction chromatography, and measured the molecular masses of the intact membrane proteins, including those of six subunits of complex I that are encoded in mitochondrial DNA. These measurements resolve long-standing uncertainties about the interpretation of the mitochondrial genome, and they contribute significantly to the definition of the covalent composition of complex I. PMID:17060615

Compact passively self-tuning energy harvesting for rotating applications

International Nuclear Information System (INIS)

Gu, Lei; Livermore, Carol

2012-01-01

This paper presents a compact, passive, self-tuning energy harvester for rotating applications. The harvester rotates in the vertical plane and is comprised of two beams: a relatively rigid piezoelectric generating beam and a narrow, flexible driving beam with a tip mass mounted at the end. The mass impacts the generating beam repeatedly under the influence of gravity to drive generation. Centrifugal force from the rotation modifies the resonant frequency of the flexible driving beam and the frequency response of the harvester. An analytical model that captures the harvester system's resonant frequency as a function of rotational speed is used to guide the detailed design. With an optimized design, the resonant frequency of the harvester substantially matches the frequency of the rotation over a wide frequency range from 4 to 16.2 Hz. A prototype of the passive self-tuning energy harvester using a lead zirconate titanate generating beam achieved a power density of 30.8 µW cm −3 and a more than 11 Hz bandwidth, which is much larger than the 0.8 Hz bandwidth calculated semi-empirically for a similar but untuned harvester. Passive tuning was also demonstrated using the more robust and reliable but less efficient polymer polyvinylidene fluoride for the generating beam

Demonstration of pumping efficiency for rotating disks by Monte Carlo simulation

International Nuclear Information System (INIS)

Ogiwara, Norio

2010-01-01

We investigated the concept of creating a gas radial flow by employing the molecular drag effect upon gas molecules on rotating disks. All the gas molecules have a circumferential velocity rω (r: distance from the rotating axis, and ω: angular velocity) each time they leave a surface of the rotating disks. As a result, the gas molecules between the rotating disks tend on average to move outward from the center. That is, a radial flow appears. This idea was demonstrated by Monte Carlo simulation of 2 types of rotating disks (flat and corrugated ones). Pumping efficiency was clearly demonstrated for both types of disks when the velocity ratio rω/ ( : mean velocity) became larger than 1. (author)

Determination of the neutrino mass from the beta decay of gaseous molecular tritium

International Nuclear Information System (INIS)

Decman, D.J.; Stoeffl, W.

1992-06-01

We set an upper limit of 8 eV for the mass of the electron antineutrino from studying the beta decay of tritium. We use a gaseous molecular tritium source, a high resolution magnetic spectrometer and a low background counting system to minimize the systematic errors encountered in these measurements. Our calibration data with radioactive 83m Kr enables us to measure our system response function and a good deal of atomic physics data. In addition to our end point results we have made the first measurement of the tritium beta decay spectrum below 200 keV. We find an excess of very low energy electrons which arise from molecular processes of the 3 He-T + ion

In situ monitoring of molecular changes during cell differentiation processes in marine macroalgae through mass spectrometric imaging.

Science.gov (United States)

Kessler, Ralf W; Crecelius, Anna C; Schubert, Ulrich S; Wichard, Thomas

2017-08-01

Matrix-assisted laser desorption/ionization mass spectrometric imaging (MALDI-MSI) was employed to discriminate between cell differentiation processes in macroalgae. One of the key developmental processes in the algal life cycle is the production of germ cells (gametes and zoids). The gametogenesis of the marine green macroalga Ulva mutabilis (Chlorophyta) was monitored by metabolomic snapshots of the surface, when blade cells differentiate synchronously into gametangia and giving rise to gametes. To establish MSI for macroalgae, dimethylsulfoniopropionate (DMSP), a known algal osmolyte, was determined. MSI of the surface of U. mutabilis followed by chemometric data analysis revealed dynamic metabolomic changes during cell differentiation. DMSP and a total of 55 specific molecular biomarkers, which could be assigned to important stages of the gametogenesis, were detected. Our research contributes to the understanding of molecular mechanisms underlying macroalgal cell differentiation. Graphical abstract Molecular changes during cell differentiation of the marine macroalga Ulva were visualized by matrix assisted laser desorption/ionization mass spectrometric imaging (MALDI-MSI).

THE DETECTION OF A HOT MOLECULAR CORE IN THE LARGE MAGELLANIC CLOUD WITH ALMA

International Nuclear Information System (INIS)

Shimonishi, Takashi; Onaka, Takashi; Kawamura, Akiko; Aikawa, Yuri

2016-01-01

We report the first detection of a hot molecular core outside our Galaxy based on radio observations with ALMA toward a high-mass young stellar object (YSO) in a nearby low metallicity galaxy, the Large Magellanic Cloud (LMC). Molecular emission lines of CO, C 17 O, HCO + , H 13 CO + , H 2 CO, NO, SiO, H 2 CS, 33 SO, 32 SO 2 , 34 SO 2 , and 33 SO 2 are detected from a compact region (∼0.1 pc) associated with a high-mass YSO, ST11. The temperature of molecular gas is estimated to be higher than 100 K based on rotation diagram analysis of SO 2 and 34 SO 2 lines. The compact source size, warm gas temperature, high density, and rich molecular lines around a high-mass protostar suggest that ST11 is associated with a hot molecular core. We find that the molecular abundances of the LMC hot core are significantly different from those of Galactic hot cores. The abundances of CH 3 OH, H 2 CO, and HNCO are remarkably lower compared to Galactic hot cores by at least 1–3 orders of magnitude. We suggest that these abundances are characterized by the deficiency of molecules whose formation requires the hydrogenation of CO on grain surfaces. In contrast, NO shows a high abundance in ST11 despite the notably low abundance of nitrogen in the LMC. A multitude of SO 2 and its isotopologue line detections in ST11 imply that SO 2 can be a key molecular tracer of hot core chemistry in metal-poor environments. Furthermore, we find molecular outflows around the hot core, which is the second detection of an extragalactic protostellar outflow. In this paper, we discuss the physical and chemical characteristics of a hot molecular core in the low metallicity environment.

Ultrafast rotation in an amphidynamic crystalline metal organic framework.

Science.gov (United States)

Vogelsberg, Cortnie S; Uribe-Romo, Fernando J; Lipton, Andrew S; Yang, Song; Houk, K N; Brown, Stuart; Garcia-Garibay, Miguel A

2017-12-26

Amphidynamic crystals are an emergent class of condensed phase matter designed with a combination of lattice-forming elements linked to components that display engineered dynamics in the solid state. Here, we address the design of a crystalline array of molecular rotors with inertial diffusional rotation at the nanoscale, characterized by the absence of steric or electronic barriers. We solved this challenge with 1,4-bicyclo[2.2.2]octane dicarboxylic acid (BODCA)-MOF, a metal-organic framework (MOF) built with a high-symmetry bicyclo[2.2.2]octane dicarboxylate linker in a Zn 4 O cubic lattice. Using spin-lattice relaxation 1 H solid-state NMR at 29.49 and 13.87 MHz in the temperature range of 2.3-80 K, we showed that internal rotation occurs in a potential with energy barriers of 0.185 kcal mol -1 These results were confirmed with 2 H solid-state NMR line-shape analysis and spin-lattice relaxation at 76.78 MHz obtained between 6 and 298 K, which, combined with molecular dynamics simulations, indicate that inertial diffusional rotation is characterized by a broad range of angular displacements with no residence time at any given site. The ambient temperature rotation of the bicyclo[2.2.2]octane (BCO) group in BODCA-MOF constitutes an example where engineered rotational dynamics in the solid state are as fast as they would be in a high-density gas or in a low-density liquid phase.

General Relativistic Mean Field Theory for rotating nuclei

Energy Technology Data Exchange (ETDEWEB)

Madokoro, Hideki [Kyushu Univ., Fukuoka (Japan). Dept. of Physics; Matsuzaki, Masayuki

1998-03-01

The {sigma}-{omega} model Lagrangian is generalized to an accelerated frame by using the technique of general relativity which is known as tetrad formalism. We apply this model to the description of rotating nuclei within the mean field approximation, which we call General Relativistic Mean Field Theory (GRMFT) for rotating nuclei. The resulting equations of motion coincide with those of Munich group whose formulation was not based on the general relativistic transformation property of the spinor fields. Some numerical results are shown for the yrast states of the Mg isotopes and the superdeformed rotational bands in the A {approx} 60 mass region. (author)

Application of molecular beam mass spectrometry to chemical vapor deposition studies

International Nuclear Information System (INIS)

Hsu, W.L.; Tung, D.M.

1992-01-01

A molecular beam mass spectrometer system has been designed and constructed for the specific purpose of measuring the gaseous composition of the vapor environment during chemical vapor deposition of diamond. By the intrinsic nature of mass analysis, this type of design is adaptable to a broad range of other applications that rely either on thermal- or plasma-induced chemical kinetics. When gas is sampled at a relatively high process pressure (∼2700 Pa for our case), supersonic gas expansion at the sampling orifice can cause the detected signals to have a complicated dependence on the operating conditions. A comprehensive discussion is given on the effect of gas expansion on mass discrimination and signal scaling with sampling pressure and temperature, and how these obstacles can be overcome. This paper demonstrates that radical species can be detected with a sensitivity better than 10 ppm by the use of threshold ionization. A detailed procedure is described whereby one can achieve quantitative analysis of the detected species with an accuracy of ±20%. This paper ends with an example on the detection of H, H 2 , CH 3 , CH 4 , and C 2 H 2 during diamond growth

Surprisingly different star-spot distributions on the near equal-mass equal-rotation-rate stars in the M dwarf binary GJ 65 AB

Science.gov (United States)

Barnes, J. R.; Jeffers, S. V.; Haswell, C. A.; Jones, H. R. A.; Shulyak, D.; Pavlenko, Ya. V.; Jenkins, J. S.

2017-10-01

We aim to understand how stellar parameters such as mass and rotation impact the distribution of star-spots on the stellar surface. To this purpose, we have used Doppler imaging to reconstruct the surface brightness distributions of three fully convective M dwarfs with similar rotation rates. We secured high cadence spectral time series observations of the 5.5 au separation binary GJ 65, comprising GJ 65A (M5.5V, Prot = 0.24 d) and GJ 65B (M6V, Prot = 0.23 d). We also present new observations of GJ 791.2A (M4.5V, Prot = 0.31 d). Observations of each star were made on two nights with UVES, covering a wavelength range from 0.64 - 1.03μm. The time series spectra reveal multiple line distortions that we interpret as cool star-spots and which are persistent on both nights suggesting stability on the time-scale of 3 d. Spots are recovered with resolutions down to 8.3° at the equator. The global spot distributions for GJ 791.2A are similar to observations made a year earlier. Similar high latitude and circumpolar spot structure is seen on GJ 791.2A and GJ 65A. However, they are surprisingly absent on GJ 65B, which instead reveals more extensive, larger, spots concentrated at intermediate latitudes. All three stars show small amplitude latitude-dependent rotation that is consistent with solid body rotation. We compare our measurements of differential rotation with previous Doppler imaging studies and discuss the results in the wider context of other observational estimates and recent theoretical predictions.

The rotational excitation of HF by H

Science.gov (United States)

Desrousseaux, Benjamin; Lique, François

2018-06-01

The HF molecule is a key tracer of molecular hydrogen in diffuse interstellar medium (ISM). Accurate modelling of the HF abundance in such media requires one to model its excitation by both radiation and collisions. In diffuse ISM, the dominant collisional partners are atomic and molecular hydrogen. We report quantum time-independent calculations of collisional cross-sections and rate coefficients for the rotational excitation of HF by H. The reactive hydrogen exchange channels are taken into account in the scattering calculations. For the first time, HF-H rate coefficients are provided for temperature ranging from 10 to 500 K. The strongest collision-induced rotational HF transitions are those with Δj = 1, and the order of magnitude of the new HF-H rate coefficients is similar to that of the HF-H2 ones previously computed. As a first application, we simulate the excitation of HF by both H and H2 in typical diffuse ISM. We show that, depending on the rotational transition, hydrogen atoms increase or decrease the simulated excitation temperatures compared to collisional excitation only due to H2 molecules. Such results suggest that the new HF-H collisional data have to be used for properly modelling the abundance of HF in diffuse ISM.

SUBMILLIMETER-WAVE ROTATIONAL SPECTROSCOPY OF H2F+

International Nuclear Information System (INIS)

Fujimori, R.; Kawaguchi, K.; Amano, T.

2011-01-01

Five pure rotational transitions of H 2 F + generated by a discharge in an HF/H 2 /Ar mixture were observed in the range 473-774 GHz with a backward-wave oscillator based submillimeter-wave spectrometer. A simultaneous analysis of the rotational lines with 120 combination differences for the ground state derived from the infrared spectra was carried out to determine the precise molecular constants for the ground state. The rotational transition frequencies that lie below 2 THz were calculated, together with their estimated uncertainties, to facilitate future astronomical identifications. The chemistry for H 2 F + formation in interstellar space is discussed in comparison with a case for recently detected H 2 Cl + .

Rotational and translational dynamics and their relation to hydrogen bond lifetimes in an ionic liquid by means of NMR relaxation time experiments and molecular dynamics simulation

Science.gov (United States)

Strate, Anne; Neumann, Jan; Overbeck, Viviane; Bonsa, Anne-Marie; Michalik, Dirk; Paschek, Dietmar; Ludwig, Ralf

2018-05-01

We report a concerted theoretical and experimental effort to determine the reorientational dynamics as well as hydrogen bond lifetimes for the doubly ionic hydrogen bond +OH⋯O- in the ionic liquid (2-hydroxyethyl)trimethylammonium bis(trifluoromethylsulfonyl)imide [Ch][NTf2] by using a combination of NMR relaxation time experiments, density functional theory (DFT) calculations, and molecular dynamics (MD) simulations. Due to fast proton exchange, the determination of rotational correlation times is challenging. For molecular liquids, 17O-enhanced proton relaxation time experiments have been used to determine the rotational correlation times for the OH vectors in water or alcohols. As an alternative to those expensive isotopic substitution experiments, we employed a recently introduced approach which is providing access to the rotational dynamics from a single NMR deuteron quadrupolar relaxation time experiment. Here, the deuteron quadrupole coupling constants (DQCCs) are obtained from a relation between the DQCC and the δ1H proton chemical shifts determined from a set of DFT calculated clusters in combination with experimentally determined proton chemical shifts. The NMR-obtained rotational correlation times were compared to those obtained from MD simulations and then related to viscosities for testing the applicability of popular hydrodynamic models. In addition, hydrogen bond lifetimes were derived, using hydrogen bond population correlation functions computed from MD simulations. Here, two different time domains were observed: The short-time contributions to the hydrogen lifetimes and the reorientational correlation times have roughly the same size and are located in the picosecond range, whereas the long-time contributions decay with relaxation times in the nanosecond regime and are related to rather slow diffusion processes. The computed average hydrogen bond lifetime is dominated by the long-time process, highlighting the importance and longevity of

Rotation and solvation of ammonium ion

International Nuclear Information System (INIS)

Perrin, C.L.; Gipe, R.K.

1987-01-01

From nitrogen-15 spin-lattice relaxation times and nuclear Overhauser enhancements, the rotational correlations time tau/sub c/ for 15 NH 4 + was determined in s series of solvents. Values of tau/sub c/ range from 0.46 to 20 picoseconds. The solvent dependent of tau/sub c/ cannot be explained in terms of solvent polarity, molecular dipole moment, solvent basicity, solvent dielectric relaxation, or solvent viscosity. The rapid rotation and the variation with solvent can be accounted for by a model that involves hydrogen bonding of an NH proton to more than one solvent molecule in a disordered solvation environment. 25 references, 1 table

Kinetic-contact-driven gigantic energy transfer in a two-dimensional Lennard-Jones fluid confined to a rotating pore

Science.gov (United States)

Karbowniczek, Paweł; Chrzanowska, Agnieszka

2017-11-01

A two-dimensional Lennard-Jones system in a circular and rotating container has been studied by means of molecular dynamics technique. A nonequilibrium transition to the rotating stage has been detected in a delayed time since an instant switching of the frame rotation. This transition is attributed to the increase of the density at the wall because of the centrifugal force. At the same time the phase transition occurs, the inner system changes its configuration of the solid-state type into the liquid type. Impact of angular frequency and molecular roughness on the transport properties of the nonrotating and rotating systems is analyzed.

Atmospheric Oxidation of Squalene: Molecular Study Using COBRA Modeling and High-Resolution Mass Spectrometry

Energy Technology Data Exchange (ETDEWEB)

Fooshee, David R.; Aiona, Paige K.; Laskin, Alexander; Laskin, Julia; Nizkorodov, Sergey; Baldi, Pierre

2015-10-22

Squalene is a major component of skin and plant surface lipids, and is known to be present at high concentrations in indoor dust. Its high reactivity toward ozone makes it an important ozone sink and a natural protectant against atmospheric oxidizing agents. While the volatile products of squalene ozonolysis are known, the condensed-phase products have not been characterized. We present an analysis of condensed-phase products resulting from an extensive oxidation of squalene by ozone probed by electrospray ionization (ESI) high-resolution mass spectrometry (HR-MS). A complex distribution of nearly 1,300 peaks assignable to molecular formulas is observed in direct infusion positive ion mode ESI mass spectra. The distribution of peaks in the mass spectra suggests that there are extensive cross-coupling reactions between hydroxy-carbonyl products of squalene ozonolysis. To get additional insights into the mechanism, we apply a Computational Brewing Application (COBRA) to simulate the oxidation of squalene in the presence of ozone, and compare predicted results with those observed by the HR-MS experiments. The system predicts over one billion molecular structures between 0-1450 Da, which correspond to about 27,000 distinct elemental formulas. Over 83% of the squalene oxidation products inferred from the mass spectrometry data are matched by the simulation. Simulation indicates a prevalence of peroxy groups, with hydroxyl and ether groups being the second-most important O-containing functional groups formed during squalene oxidation. These highly oxidized products of squalene ozonolysis may accumulate on indoor dust and surfaces, and contribute to their redox capacity.

The effective mass of the Kerr spacetime

International Nuclear Information System (INIS)

Kulkarni, R.; Chellathurai, V.; Dadhich, N.

1988-01-01

The expressions for the effective mass of rotating spacetimes existing in the literature do not incorporate the rotational contribution at all. We generalise a result of Cohen and de Felice [1984, J. Math. Phys. 25, 992] and show how rotational effects can be taken into account. (author)

Isotopic separation in a rotating neon plasma

International Nuclear Information System (INIS)

Cairns, J.B.S.

1976-01-01

The background to the use of rotating plasma as element and isotope separators is briefly reviewed. The principles of the process are outlined. The rotation in a plasma centrifuge is produced by passing a radial current across an axial magnetic field. The different mass spheres, if under the influence of azimuthal forces, may be separated by crossing the field. Details are given of the Vortex II experiment in which 22 Ne is separated from neon in a fully ionized rotating plasma. It was demonstrated that 22 Ne enrichments of approximately 15% could be achieved with the possibility of higher values when the design and operation of the plasma centrifuge have been optimised. (U.K.)

The molecular mass of dextran used to modify magnetite nanoparticles affects insulin amyloid aggregation

Science.gov (United States)

Siposova, Katarina; Pospiskova, Kristyna; Bednarikova, Zuzana; Safarik, Ivo; Safarikova, Mirka; Kubovcikova, Martina; Kopcansky, Peter; Gazova, Zuzana

2017-04-01

Protein transformation from its soluble state into amyloid aggregates is associated with amyloid-related diseases. Amyloid deposits of insulin fibrils have been found in the sites of subcutaneous insulin application in patients with prolonged diabetes. Using atomic force microscopy and ThT fluorescence assay we have investigated the interference of insulin amyloid aggregation with superparamagnetic Fe3O4-based nanoparticles (SPIONs) coated with dextran (DEX); molecular mass of dextran was equal to 15-20, 40 or 70 kDa. The obtained data indicate that all three types of dextran coated nanoparticles (NP-FeDEXs) are able to inhibit insulin fibrillization and to destroy amyloid fibrils. The extent of anti-amyloid activities depends on the properties of NP-FeDEXs, mainly on the size of nanoparticles which is determined by molecular mass of dextran molecules. The most effective inhibiting activity was observed for the smallest nanoparticles coated with 15-20 kDa dextran. Contrary, the highest destroying activity was observed for the largest NP-FeDEX (70 kDa dextran).

Improved limit on the mass of ν/sub e/ from the beta decay of molecular tritium

International Nuclear Information System (INIS)

Bowles, T.J.; Friar, J.L.; Robertson, R.G.H.; Stephenson, G.J. Jr.; Wark, D.L.; Wilkerson, J.F.; Knapp, D.A.

1989-01-01

We report a new upper limit of 13.4 eV (95% confidence level) on the mass of the electron antineutrino from a study of the shape of the beta spectrum of free molecular tritium. This result appears to be inconsistent with a reported value for the mass of 26(5) eV. The electron neutrino is evidently not massive enough to close the universe by itself. 23 refs., 1 fig., 2 tabs

Improved limit on the mass of bar νe from the beta decay of molecular tritium

International Nuclear Information System (INIS)

Bowles, T.J.; Robertson, R.G.H.; Wark, D.L.; Wilkerson, J.F.; Stephenson, G.J.; Friar, J.L.; Knapp, D.A.

1990-01-01

We report a new upper limit of 13.4 eV (95% confidence level) on the mass of the electron antineutrino from a study of the shape of the beta spectrum of free molecular tritium. This result appears to be inconsistent with a reported value for the mass of 26(5) eV. The electron neutrino is evidently not massive enough to close the universe by itself. 21 refs., 1 fig., 2 tabs

Group-theoretical and topological analysis of localized rotation-vibration states

International Nuclear Information System (INIS)

Sadovskii, D.A.; Zhilinskii, B.I.

1993-01-01

A general scheme of qualitative analysis is applied to molecular rovibrational problems. The classical-quantum correspondence provides a description of different classes of localized quantum rotation-vibration states associated with localized classical motion. A description of qualitative features, such as localized motion, and of qualitative changes, such as localization phenomena, is based on the concept of the simplest Hamiltonian. It uses only the topological properties of the compact reduced phase space and the action of the symmetry group on this space. The qualitative changes of the simplest Hamiltonian are analyzed as bifurcations caused by rotational or vibrational excitation. The relation between the stationary points of the classical Hamiltonian function on the reduced phase space and the principal periodic trajectories in the coordinate space is analyzed for vibrational Hamiltonians. In particular, the relation between the nonlinear normal modes, proposed by Montaldi, Roberts, and Stewart [Philos. Trans. R. Soc. London, Ser. A 325, 237 (1988)], and normal- and local-mode models widely used in molecular physics is discussed. Along with a general consideration of localized rotational and vibrational states a more detailed analysis of the vibrational dynamics of an X 3 molecule with the D 3h symmetry, such as the H 3 + molecular ion, is given

The metastable dynamo model of stellar rotational evolution

International Nuclear Information System (INIS)

Brown, Timothy M.

2014-01-01

This paper introduces a new empirical model for the rotational evolution of Sun-like stars—those with surface convection zones and non-convective interior regions. Previous models do not match the morphology of observed (rotation period)-color diagrams, notably the existence of a relatively long-lived 'C-sequence' of fast rotators first identified by Barnes. This failure motivates the Metastable Dynamo Model (MDM) described here. The MDM posits that stars are born with their magnetic dynamos operating in a mode that couples very weakly to the stellar wind, so their (initially very short) rotation periods at first change little with time. At some point, this mode spontaneously and randomly changes to a strongly coupled mode, the transition occurring with a mass-dependent lifetime that is of the order of 100 Myr. I show that with this assumption, one can obtain good fits to observations of young clusters, particularly for ages of 150-200 Myr. Previous models and the MDM both give qualitative agreement with the morphology of the slower-rotating 'I-sequence' stars, but none of them have been shown to accurately reproduce the stellar-mass-dependent evolution of the I-sequence stars, especially for clusters older than a few hundred million years. I discuss observational experiments that can test aspects of the MDM, and speculate that the physics underlying the MDM may be related to other situations described in the literature, in which stellar dynamos may have a multi-modal character.

Substrate specificity of low-molecular mass bacterial DD-peptidases.

Science.gov (United States)

Nemmara, Venkatesh V; Dzhekieva, Liudmila; Sarkar, Kumar Subarno; Adediran, S A; Duez, Colette; Nicholas, Robert A; Pratt, R F

2011-11-22

The bacterial DD-peptidases or penicillin-binding proteins (PBPs) catalyze the formation and regulation of cross-links in peptidoglycan biosynthesis. They are classified into two groups, the high-molecular mass (HMM) and low-molecular mass (LMM) enzymes. The latter group, which is subdivided into classes A-C (LMMA, -B, and -C, respectively), is believed to catalyze DD-carboxypeptidase and endopeptidase reactions in vivo. To date, the specificity of their reactions with particular elements of peptidoglycan structure has not, in general, been defined. This paper describes the steady-state kinetics of hydrolysis of a series of specific peptidoglycan-mimetic peptides, representing various elements of stem peptide structure, catalyzed by a range of LMM PBPs (the LMMA enzymes, Escherichia coli PBP5, Neisseria gonorrhoeae PBP4, and Streptococcus pneumoniae PBP3, and the LMMC enzymes, the Actinomadura R39 dd-peptidase, Bacillus subtilis PBP4a, and N. gonorrhoeae PBP3). The R39 enzyme (LMMC), like the previously studied Streptomyces R61 DD-peptidase (LMMB), specifically and rapidly hydrolyzes stem peptide fragments with a free N-terminus. In accord with this result, the crystal structures of the R61 and R39 enzymes display a binding site specific to the stem peptide N-terminus. These are water-soluble enzymes, however, with no known specific function in vivo. On the other hand, soluble versions of the remaining enzymes of those noted above, all of which are likely to be membrane-bound and/or associated in vivo and have been assigned particular roles in cell wall biosynthesis and maintenance, show little or no specificity for peptides containing elements of peptidoglycan structure. Peptidoglycan-mimetic boronate transition-state analogues do inhibit these enzymes but display notable specificity only for the LMMC enzymes, where, unlike peptide substrates, they may be able to effectively induce a specific active site structure. The manner in which LMMA (and HMM) DD

Molecular motion in restricted geometries

Indian Academy of Sciences (India)

Molecular dynamics in restricted geometries is known to exhibit anomalous behaviour. Diffusion, translational or rotational, of molecules is altered significantly on confinement in restricted geometries. Quasielastic neutron scattering (QENS) offers a unique possibility of studying molecular motion in such systems. Both time ...

Calculation of restricted rotational states in the methyl group

CERN Document Server

Ozaki, Y

2002-01-01

A methyl group attached to a molecule in the solid phase has a certain amount of hindrance in its rotational motion. The rotational potential can usually be expressed by the 3rd-order and the 6th-order terms of periodic functions. In the intermediate region with respect to the field strength and also the degree of mixing of two components, much variety appears in the structure of the rotational energy levels. The energy values correspond to the various molecular surroundings. The matrix elements are also derived, which yield the intensity of inelastic neutron scattering spectra. One example of calculated intensities is given. (orig.)

Features of the mass transfer in magnetic cataclysmic variables with fast-rotating white dwarfs

Directory of Open Access Journals (Sweden)

Isakova Polina

2014-01-01

Full Text Available The flow structure in magnetic cataclysmic variables was investigated taking into account the effects of strong magnetic field and fast rotation of the white dwarf. We modeled the AE Aqr system as a unique object that has the rotation period of the white dwarf is about 1000 times shorter than the orbital period of the binary system. Observations show that in spite of fast rotation of the white dwarf some part of the stream from the inner Lagrange point comes into the Roche lobe region. We analyzed possible mechanisms preventing material to outflow from the system.

Mass spectrometric characterization of a pyrolytic radical source using femtosecond ionization

Energy Technology Data Exchange (ETDEWEB)

Frey, H M; Beaud, P; Mischler, B; Radi, P P; Tzannis, A P; Gerber, T [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

1997-06-01

Radicals play, as reactive species, an important role in the chemistry of combustion. In contrast to atmospheric flames where spectra are congested due to high vibrational and rotational excitation, experiments in the cold environment of a molecular beam (MB) yield clean spectra that can be easily attributed to one species by Resonantly Enhanced Multi Photon Ionization (REMP). A pyrolytic radical source has been set up. To characterize the efficiency of the source `soft` ionization with femto second pulses is applied which results in less fragmentation, simplifying the interpretation of the mass spectrum. (author) figs., tabs., refs.

Photoionization studies with molecular beams

International Nuclear Information System (INIS)

Ng, C.Y.

1976-09-01

A molecular beam photoionization apparatus which combines the advantages of both the molecular beam method with photoionization mass spectrometry has been designed and constructed for carrying out some unique photoionization experiments. Rotational cooling during the supersonic expansion has resulted in high resolution photoionization efficiency curves for NO, ICl, C 2 H 2 and CH 3 I. The analysis of these spectra has yielded ionization potentials for these molecules to an accuracy of +- 3 MeV. Detailed autoionization structures were also resolved. This allows the investigation of the selection rules for autoionization, and the identification of the Rydberg series which converge to the excited states of the molecular ions. The degree of relaxation for thermally populated excited states has been examined using NO and ICl as examples. As a result of adiabatic cooling, a small percentage of dimers is also formed during the expansion. The photoionization efficiency curves for (NO) 2 , ArICl, Ar 2 , Kr 2 and Xe 2 have been obtained near the thresholds. Using the known dissociation energies of the (NO) 2 , Ar 2 , Kr 2 and Xe 2 van der Waals molecules, the corresponding dissociation energies for NO-NO + , Ar 2 + , Kr 2 + , and Xe 2 + have been determined. The ionization mechanisms for this class of molecules are examined and discussed

Direct molecular analysis of whole-body animal tissue sections by MALDI imaging mass spectrometry.

Science.gov (United States)

Reyzer, Michelle L; Chaurand, Pierre; Angel, Peggi M; Caprioli, Richard M

2010-01-01

The determination of the localization of various compounds in a whole animal is valuable for many applications, including pharmaceutical absorption, distribution, metabolism, and excretion (ADME) studies and biomarker discovery. Imaging mass spectrometry is a powerful tool for localizing compounds of biological interest with molecular specificity and relatively high resolution. Utilizing imaging mass spectrometry for whole-body animal sections offers considerable analytical advantages compared to traditional methods, such as whole-body autoradiography, but the experiment is not straightforward. This chapter addresses the advantages and unique challenges that the application of imaging mass spectrometry to whole-body animal sections entails, including discussions of sample preparation, matrix application, signal normalization, and image generation. Lipid and protein images obtained from whole-body tissue sections of mouse pups are presented along with detailed protocols for the experiments.

Oscillatory-rotational processes in the Earth motion about the center of mass: Interpolation and forecast

Science.gov (United States)

Akulenko, L. D.; Klimov, D. M.; Markov, Yu. G.; Perepelkin, V. V.

2012-11-01

The celestial-mechanics approach (the spatial version of the problem for the Earth-Moon system in the field of gravity of the Sun) is used to construct a mathematical model of the Earth's rotational-oscillatory motions. The fundamental aspects of the processes of tidal inhomogeneity in the Earth rotation and the Earth's pole oscillations are studied. It is shown that the presence of the perturbing component of gravitational-tidal forces, which is orthogonal to the Moon's orbit plane, also allows one to distinguish short-period perturbations in the Moon's motion. The obtained model of rotational-oscillatory motions of the nonrigid Earth takes into account both the basic perturbations of large amplitudes and the more complicated small-scale properties of the motion due to the Moon short-period perturbations with combination frequencies. The astrometric data of the International Earth Rotation and Reference Systems Service (IERS) are used to perform numerical simulation (interpolation and forecast) of the Earth rotation parameters (ERP) on various time intervals.

Non-resonant energy harvester with elastic constraints for low rotating frequencies

Science.gov (United States)

Machado, Sebastián P.; Febbo, Mariano; Gatti, Claudio D.; Ramirez, José M.

2017-11-01

This paper presents a non-resonant piezoelectric energy harvester (PEH) which is designed to capture energy from low frequency rotational vibration. The proposed device works out of the plane of rotation where the motion of a mass-spring system is transferred to a piezoelectric layer with the intention to generate energy to power wireless structural monitoring systems or sensors. The mechanical structure is formed by two beams with rigid and elastic boundary conditions at the clamped end. On the free boundaries, heavy masses connected by a spring are placed in order to increase voltage generation and diminish the natural frequency. A mathematical framework and the equations governing the energy-harvesting system are presented. Numerical simulations and experimental verifications are performed for different rotation speeds ranging from 0.7 to 2.5 Hz. An output power of 125 μW is obtained for maximum rotating frequency demonstrating that the proposed design can collect enough energy for the suggested application.

Muon spin-rotation study on magnetite

International Nuclear Information System (INIS)

Boekema, C.; Brabers, V.A.M.; Denison, A.B.; Heffner, R.H.; Hutson, R.L.; Leon, M.; Olsen, C.E.; Schillaci, M.E.

1982-01-01

Muon spin-rotation (μSR) results on synthetic single crystals of magnetite (Fe 3 O 4 ) support the idea of muon bond formation in oxides. The anomaly in the temperature dependence of the μSR signal observed in Fe 3 O 4 may be attributed to the existence of molecular polarons in the Verwey transition-temperature region

SLOWLY ROTATING GAS-RICH GALAXIES IN MODIFIED NEWTONIAN DYNAMICS (MOND)

International Nuclear Information System (INIS)

Sánchez-Salcedo, F. J.; Martínez-García, E. E.; Hidalgo-Gámez, A. M.

2013-01-01

We have carried out a search for gas-rich dwarf galaxies that have lower rotation velocities in their outskirts than MOdified Newtonian Dynamics (MOND) predicts, so that the amplitude of their rotation curves cannot be fitted by arbitrarily increasing the mass-to-light ratio of the stellar component or by assuming additional undetected matter. With presently available data, the gas-rich galaxies UGC 4173, Holmberg II, ESO 245-G05, NGC 4861, and ESO 364-G029 deviate most from MOND predictions and, thereby, provide a sample of promising targets in testing the MOND framework. In the case of Holmberg II and NGC 4861, we find that their rotation curves are probably inconsistent with MOND, unless their inclinations and distances differ significantly from the nominal ones. The galaxy ESO 364-G029 is a promising target because its baryonic mass and rotation curve are similar to Holmberg II but presents a higher inclination. Deeper photometric and H I observations of ESO 364-G029, together with further decreasing systematic uncertainties, may provide a strong test to MOND.

Self-Interacting Dark Matter Can Explain Diverse Galactic Rotation Curves.

Science.gov (United States)

Kamada, Ayuki; Kaplinghat, Manoj; Pace, Andrew B; Yu, Hai-Bo

2017-09-15

The rotation curves of spiral galaxies exhibit a diversity that has been difficult to understand in the cold dark matter (CDM) paradigm. We show that the self-interacting dark matter (SIDM) model provides excellent fits to the rotation curves of a sample of galaxies with asymptotic velocities in the 25-300  km/s range that exemplify the full range of diversity. We assume only the halo concentration-mass relation predicted by the CDM model and a fixed value of the self-interaction cross section. In dark-matter-dominated galaxies, thermalization due to self-interactions creates large cores and reduces dark matter densities. In contrast, thermalization leads to denser and smaller cores in more luminous galaxies and naturally explains the flatness of rotation curves of the highly luminous galaxies at small radii. Our results demonstrate that the impact of the baryons on the SIDM halo profile and the scatter from the assembly history of halos as encoded in the concentration-mass relation can explain the diverse rotation curves of spiral galaxies.

A nonsingular rotating black hole

International Nuclear Information System (INIS)

Ghosh, Sushant G.

2015-01-01

The spacetime singularities in classical general relativity are inevitable, as predicated by the celebrated singularity theorems. However, it is a general belief that singularities do not exist in Nature and that they are the limitations of the general relativity. In the absence of a welldefined quantum gravity, models of regular black holes have been studied. We employ a probability distribution inspired mass function m(r) to replace the Kerr black hole mass M to represent a nonsingular rotating black hole that is identified asymptotically (r >> k, k > 0 constant) exactly as the Kerr-Newman black hole, and as the Kerr black hole when k = 0. The radiating counterpart renders a nonsingular generalization of Carmeli's spacetime as well as Vaidya's spacetime, in the appropriate limits. The exponential correction factor changing the geometry of the classical black hole to remove the curvature singularity can also be motivated by quantum arguments. The regular rotating spacetime can also be understood as a black hole of general relativity coupled to nonlinear electrodynamics. (orig.)

Possible Measurable Effects of Dark Energy in Rotating Superconductors

Directory of Open Access Journals (Sweden)

Clovis Jacinto de Matos

2009-01-01

Full Text Available We discuss recent laboratory experiments with rotating superconductors and show that three so far unexplained experimentally observed effects (anomalous acceleration signals, anomalous gyroscope signals, Cooper pair mass excess can be physically explained in terms of a possible interaction of dark energy with Cooper pairs. Our approach is based on a Ginzburg-Landau-like model of electromagnetic dark energy, where gravitationally active photons obtain mass in the superconductor. We show that this model can account simultaneously for the anomalous acceleration and anomalous gravitomagnetic fields around rotating superconductors measured by Tajmar et al. and for the anomalous Cooper pair mass in superconductive Niobium, measured by Cabrera and Tate. It is argued that these three different physical effects are ultimately different experimental manifestations of the simultaneous spontaneous breaking of gauge invariance and of the principle of general covariance in superconductive materials.

ALMA Shows that Gas Reservoirs of Star-forming Disks over the Past 3 Billion Years Are Not Predominantly Molecular

Energy Technology Data Exchange (ETDEWEB)

Cortese, Luca; Catinella, Barbara; Janowiecki, Steven, E-mail: luca.cortese@uwa.edu.au [International Centre for Radio Astronomy Research, The University of Western Australia, 35 Stirling Highway, Crawley, WA 6009 (Australia)

2017-10-10

Cold hydrogen gas is the raw fuel for star formation in galaxies, and its partition into atomic and molecular phases is a key quantity for galaxy evolution. In this Letter, we combine Atacama Large Millimeter/submillimeter Array and Arecibo single-dish observations to estimate the molecular-to-atomic hydrogen mass ratio for massive star-forming galaxies at z ∼ 0.2 extracted from the HIGHz survey, i.e., some of the most massive gas-rich systems currently known. We show that the balance between atomic and molecular hydrogen in these galaxies is similar to that of local main-sequence disks, implying that atomic hydrogen has been dominating the cold gas mass budget of star-forming galaxies for at least the past three billion years. In addition, despite harboring gas reservoirs that are more typical of objects at the cosmic noon, HIGHz galaxies host regular rotating disks with low gas velocity dispersions suggesting that high total gas fractions do not necessarily drive high turbulence in the interstellar medium.

Self-gravitational instability of dense degenerate viscous anisotropic plasma with rotation

Science.gov (United States)

Sharma, Prerana; Patidar, Archana

2017-12-01

The influence of finite Larmor radius correction, tensor viscosity and uniform rotation on self-gravitational and firehose instabilities is discussed in the framework of the quantum magnetohydrodynamic and Chew-Goldberger-Low (CGL) fluid models. The general dispersion relation is obtained for transverse and longitudinal modes of propagation. In both the modes of propagation the dispersion relation is further analysed with respect to the direction of the rotational axis. In the analytical discussion the axis of rotation is considered in parallel and in the perpendicular direction to the magnetic field. (i) In the transverse mode of propagation, when rotation is parallel to the direction of the magnetic field, the Jeans instability criterion is affected by the rotation, finite Larmor radius (FLR) and quantum parameter but remains unaffected due to the presence of tensor viscosity. The calculated critical Jeans masses for rotating and non-rotating dense degenerate plasma systems are \\odot $ and \\odot $ respectively. It is clear that the presence of rotation enhances the threshold mass of the considered system. (ii) In the case of longitudinal mode of propagation when rotation is parallel to the direction of the magnetic field, Alfvén and viscous self-gravitating modes are obtained. The Alfvén mode is modified by FLR corrections and rotation. The analytical as well as graphical results show that the presence of FLR and rotation play significant roles in stabilizing the growth rate of the firehose instability by suppressing the parallel anisotropic pressure. The viscous self-gravitating mode is significantly affected by tensor viscosity, anisotropic pressure and the quantum parameter while it remains free from rotation and FLR corrections. When the direction of rotation is perpendicular to the magnetic field, the rotation of the considered system coupled the Alfvén and viscous self-gravitating modes to each other. The finding of the present work is applicable to

A molecularly imprinted polymer as the sorptive phase immobilized in a rotating disk extraction device for the determination of diclofenac and mefenamic acid in wastewater

International Nuclear Information System (INIS)

Manzo, Valentina; Ulisse, Karla; Rodríguez, Inés; Pereira, Eduardo; Richter, Pablo

2015-01-01

The microextraction of diclofenac and mefenamic acid from water samples was performed by using rotating disk sorptive extraction (RDSE) with molecularly imprinted polymer (MIP) as the sorptive phase. The MIP was synthesized from the monomer 1-vinylimidazol (VI) together with the cross-linker divinylbenzene (DVB) using diphenylamine as the template molecule. Scanning electron microscopy (SEM) analyses of the MIP revealed clusters of spherical particles having a narrow size distribution, with diameters of approximately 1 μm. The optimized extraction conditions involved a disk rotation velocity of 3000 rpm, an extraction time of 120 min, a sample volume of 50 mL, and a sample pH of 2 as well as 25 mg of MIP immobilized in the disk. Desorption of the extracted analytes was performed with 5 mL of methanol for 10 min. Analysis by gas chromatography-mass spectrometry (GC–MS) was carried out after derivatization of the analytes with N-tert-butyldimethylsilyl-N-methyltrifluoroacetamide (MTBSTFA). Nonmolecularly imprinted polymer (NIP) was also synthesized for comparison. It was observed that under the same conditions, MIP extracted significantly more NSAIDs containing diphenylamine (or part of this molecule) in their structure than NIP. Higher significant differences between MIP and NIP were observed for diclofenac, mefenamic acid and paracetamol, clearly indicating the effect of the template on the extraction. Recoveries of the method were between 100 and 112%, with relative standard deviations of 5–6%. The limits of detection were between 60 and 223 ng L −1 . Water samples from a wastewater treatment plant (WWTP) of Santiago de Chile, were found to contain concentrations of these acidic drugs between 1.6 and 4.3 μg L −1 and between 1.4 and 3.3 μg L −1 in the influent and effluent, respectively. - Highlights: • A MIP immobilized in a rotating disk sucessfully extracts NSAIDs from wastewater. • MIP had remarkably superior binding properties

A molecularly imprinted polymer as the sorptive phase immobilized in a rotating disk extraction device for the determination of diclofenac and mefenamic acid in wastewater

Energy Technology Data Exchange (ETDEWEB)

Manzo, Valentina; Ulisse, Karla [Department of Inorganic and Analytical Chemistry, Faculty of Chemical and Pharmaceutical Sciences, University of Chile, P.O. Box 653, Santiago (Chile); Rodríguez, Inés [Department of Analytical and Inorganic Chemistry, Faculty of Chemical Sciences, University of Concepción (Chile); Pereira, Eduardo, E-mail: epereira@udec.cl [Department of Analytical and Inorganic Chemistry, Faculty of Chemical Sciences, University of Concepción (Chile); Richter, Pablo, E-mail: prichter@ciq.uchile.cl [Department of Inorganic and Analytical Chemistry, Faculty of Chemical and Pharmaceutical Sciences, University of Chile, P.O. Box 653, Santiago (Chile)

2015-08-19

The microextraction of diclofenac and mefenamic acid from water samples was performed by using rotating disk sorptive extraction (RDSE) with molecularly imprinted polymer (MIP) as the sorptive phase. The MIP was synthesized from the monomer 1-vinylimidazol (VI) together with the cross-linker divinylbenzene (DVB) using diphenylamine as the template molecule. Scanning electron microscopy (SEM) analyses of the MIP revealed clusters of spherical particles having a narrow size distribution, with diameters of approximately 1 μm. The optimized extraction conditions involved a disk rotation velocity of 3000 rpm, an extraction time of 120 min, a sample volume of 50 mL, and a sample pH of 2 as well as 25 mg of MIP immobilized in the disk. Desorption of the extracted analytes was performed with 5 mL of methanol for 10 min. Analysis by gas chromatography-mass spectrometry (GC–MS) was carried out after derivatization of the analytes with N-tert-butyldimethylsilyl-N-methyltrifluoroacetamide (MTBSTFA). Nonmolecularly imprinted polymer (NIP) was also synthesized for comparison. It was observed that under the same conditions, MIP extracted significantly more NSAIDs containing diphenylamine (or part of this molecule) in their structure than NIP. Higher significant differences between MIP and NIP were observed for diclofenac, mefenamic acid and paracetamol, clearly indicating the effect of the template on the extraction. Recoveries of the method were between 100 and 112%, with relative standard deviations of 5–6%. The limits of detection were between 60 and 223 ng L{sup −1}. Water samples from a wastewater treatment plant (WWTP) of Santiago de Chile, were found to contain concentrations of these acidic drugs between 1.6 and 4.3 μg L{sup −1} and between 1.4 and 3.3 μg L{sup −1} in the influent and effluent, respectively. - Highlights: • A MIP immobilized in a rotating disk sucessfully extracts NSAIDs from wastewater. • MIP had remarkably superior binding

Rotational and radial velocities of 1.3-2.2 M {sub ☉} red giants in open clusters

Energy Technology Data Exchange (ETDEWEB)

Carlberg, Joleen K., E-mail: jcarlberg@dtm.ciw.edu [Department of Terrestrial Magnetism, Carnegie Institution of Washington, 5241 Broad Branch Road, NW, Washington, DC 20015 (United States)

2014-06-01

This study presents the rotational distribution of red giant (RG) stars in 11 old to intermediate age open clusters. The masses of these stars are all above the Kraft break, so they lose negligible amounts of their birth angular momentum (AM) during the main-sequence (MS) evolution. However, they do span a mass range with quite different AM distributions imparted during formation, with the stars less massive than ∼1.6M {sub ☉} arriving on the MS with lower rotation rates than the more massive stars. The majority of RGs in this study are slow rotators across the entire red giant branch regardless of mass, supporting the picture that intermediate-mass stars rapidly spin down when they evolve off the MS and develop convection zones capable of driving a magnetic dynamo. Nevertheless, a small fraction of RGs in open clusters show some level of enhanced rotation, and faster rotators are as common in these clusters as in the field RG population. Most of these enhanced rotators appear to be red clump stars, which is also true of the underlying stellar sample, while others are clearly RGs that are above or below the clump. In addition to rotational velocities, the radial velocities (RVs) and membership probabilities of individual stars are also presented. Cluster heliocentric RVs for NGC 6005 and Pismis 18 are reported for the first time.

QED Effects in Molecules: Test on Rotational Quantum States of H2

Science.gov (United States)

Salumbides, E. J.; Dickenson, G. D.; Ivanov, T. I.; Ubachs, W.

2011-07-01

Quantum electrodynamic effects have been systematically tested in the progression of rotational quantum states in the XΣg+1, v=0 vibronic ground state of molecular hydrogen. High-precision Doppler-free spectroscopy of the EFΣg+1-XΣg+1 (0,0) band was performed with 0.005cm-1 accuracy on rotationally hot H2 (with rotational quantum states J up to 16). QED and relativistic contributions to rotational level energies as high as 0.13cm-1 are extracted, and are in perfect agreement with recent calculations of QED and high-order relativistic effects for the H2 ground state.

Towards the automatic detection and analysis of sunspot rotation

Science.gov (United States)

Brown, Daniel S.; Walker, Andrew P.

2016-10-01

Torsional rotation of sunspots have been noted by many authors over the past century. Sunspots have been observed to rotate up to the order of 200 degrees over 8-10 days, and these have often been linked with eruptive behaviour such as solar flares and coronal mass ejections. However, most studies in the literature are case studies or small-number studies which suffer from selection bias. In order to better understand sunspot rotation and its impact on the corona, unbiased large-sample statistical studies are required (including both rotating and non-rotating sunspots). While this can be done manually, a better approach is to automate the detection and analysis of rotating sunspots using robust methods with well characterised uncertainties. The SDO/HMI instrument provide long-duration, high-resolution and high-cadence continuum observations suitable for extracting a large number of examples of rotating sunspots. This presentation will outline the analysis of SDI/HMI data to determine the rotation (and non-rotation) profiles of sunspots for the complete duration of their transit across the solar disk, along with how this can be extended to automatically identify sunspots and initiate their analysis.

The Fastest Rotating Pulsar: a Strange Star?

Institute of Scientific and Technical Information of China (English)

徐仁新; 徐轩彬; 吴鑫基

2001-01-01

According to the observational limits on the radius and mass, the fastest rotating pulsar (PSR 1937+21) is probably a strange star, or at least some neutron star equations of state should be ruled out, if we suggest that a dipole magnetic field is relevant to its radio emission. We presume that the millisecond pulsar is a strange star with much low mass, small radius and weak magnetic moment.

Time-of-flight mass spectrometer using an imaging detector and a rotating electric field

International Nuclear Information System (INIS)

Katayama, Atsushi; Kameo, Yutaka; Nakashima, Mikio

2008-01-01

A new technique for minor isotope analysis that uses a rotating electric field and an imaging detector is described. The rotating electric field is generated by six cylindrically arranged plane electrodes with multi-phase sinusoidal wave voltage. When ion packets that are discriminated by time-of-flight enter the rotating electric field, they are circularly deflected, rendering a spiral image on the fluorescent screen of the detector. This spiral image represents m/z values of ions as the position and abundance of ions as brightness. For minor isotopes analyses, the micro channel plate detector under gate control operation is used to eliminate the influence of high intensity of major isotopes. (author)

Molecular dynamics in high electric fields

International Nuclear Information System (INIS)

Apostol, M.; Cune, L.C.

2016-01-01

Highlights: • New method for rotation molecular spectra in high electric fields. • Parametric resonances – new features in spectra. • New elementary excitations in polar solids from dipolar interaction (“dipolons”). • Discussion about a possible origin of the ferroelectricity from dipolar interactions. - Abstract: Molecular rotation spectra, generated by the coupling of the molecular electric-dipole moments to an external time-dependent electric field, are discussed in a few particular conditions which can be of some experimental interest. First, the spherical-pendulum molecular model is reviewed, with the aim of introducing an approximate method which consists in the separation of the azimuthal and zenithal motions. Second, rotation spectra are considered in the presence of a static electric field. Two particular cases are analyzed, corresponding to strong and weak fields. In both cases the classical motion of the dipoles consists of rotations and vibrations about equilibrium positions; this motion may exhibit parametric resonances. For strong fields a large macroscopic electric polarization may appear. This situation may be relevant for polar matter (like pyroelectrics, ferroelectrics), or for heavy impurities embedded in a polar solid. The dipolar interaction is analyzed in polar condensed matter, where it is shown that new polarization modes appear for a spontaneous macroscopic electric polarization (these modes are tentatively called “dipolons”); one of the polarization modes is related to parametric resonances. The extension of these considerations to magnetic dipoles is briefly discussed. The treatment is extended to strong electric fields which oscillate with a high frequency, as those provided by high-power lasers. It is shown that the effect of such fields on molecular dynamics is governed by a much weaker, effective, renormalized, static electric field.

Ultrafast rotation in an amphidynamic crystalline metal organic framework

Energy Technology Data Exchange (ETDEWEB)

Vogelsberg, Cortnie S.; Uribe-Romo, Fernando J.; Lipton, Andrew S.; Yang, Song; Houk, K. N.; Brown, Stuart; Garcia-Garibay, Miguel A.

2017-12-11

Amphidynamic crystals are an emergent class of condensed phase matter designed with a combination of lattice-forming elements linked to components that display engineered dynamics in the solid state. Here, we address the design of a crystalline array of molecular rotors with inertial diffusional rotation at the nanoscale, characterized by the absence of steric or electronic barriers. We solved this challenge with 1,4-bicyclo[2.2.2]octane dicarboxylic acid (BODCA)-MOF, a metal-organic framework (MOF) built with a high-symmetry bicyclo[2.2.2]octane dicarboxylate linker in a Zn₄O cubic lattice. Using spin-lattice relaxation ¹H solid-state NMR at 29.49 and 13.87 MHz in the temperature range of 2.3–80 K, we showed that internal rotation occurs in a potential with energy barriers of 0.185 kcal mol^-1. These results were confirmed with ²H solid-state NMR line-shape analysis and spin-lattice relaxation at 76.78 MHz obtained between 6 and 298 K, which, combined with molecular dynamics simulations, indicate that inertial diffusional rotation is characterized by a broad range of angular displacements with no residence time at any given site. The ambient temperature rotation of the bicyclo[2.2.2]octane (BCO) group in BODCA-MOF constitutes an example where engineered rotational dynamics in the solid state are as fast as they would be in a high-density gas or in a low-density liquid phase.

Vibrational and Rotational Energy Relaxation in Liquids

DEFF Research Database (Denmark)

Petersen, Jakob

Vibrational and rotational energy relaxation in liquids are studied by means of computer simulations. As a precursor for studying vibrational energy relaxation of a solute molecule subsequent to the formation of a chemical bond, the validity of the classical Bersohn-Zewail model for describing......, the vibrational energy relaxation of I2 subsequent to photodissociation and recombination in CCl4 is studied using classical Molecular Dynamics simulations. The vibrational relaxation times and the time-dependent I-I pair distribution function are compared to new experimental results, and a qualitative agreement...... is found in both cases. Furthermore, the rotational energy relaxation of H2O in liquid water is studied via simulations and a power-and-work analysis. The mechanism of the energy transfer from the rotationally excited H2O molecule to its water neighbors is elucidated, i.e. the energy-accepting degrees...

Asymptotic behavior of a rotational population distribution in a molecular quantum-kicked rotor with ideal quantum resonance

Energy Technology Data Exchange (ETDEWEB)

Matsuoka, Leo, E-mail: leo-matsuoka@hiroshima-u.ac.jp [Graduate School of Engineering, Hiroshima University, Kagamiyama, Higashi-Hiroshima, 739-8527 (Japan); Segawa, Etsuo [Graduate School of Information Sciences, Tohoku University, Aoba, Sendai 980-8579 (Japan); Yuki, Kenta [Graduate School of Engineering, Hiroshima University, Kagamiyama, Higashi-Hiroshima, 739-8527 (Japan); Konno, Norio [Department of Applied Mathematics, Faculty of Engineering, Yokohama National University, Hodogaya, Yokohama 240-8501 (Japan); Obata, Nobuaki [Graduate School of Information Sciences, Tohoku University, Aoba, Sendai 980-8579 (Japan)

2017-06-09

We performed a mathematical analysis of the time-dependent dynamics of a quantum-kicked rotor implemented in a diatomic molecule under the condition of ideal quantum resonance. We examined a model system featuring a diatomic molecule in a periodic train of terahertz pulses, regarding the molecule as a rigid rotor with the state-dependent transition moment and including the effect of the magnetic quantum number M. We derived the explicit expression for the asymptotic distribution of a rotational population by making the transition matrix correspondent with a sequence of ultraspherical polynomials. The mathematical results obtained were validated by numerical simulations. - Highlights: • The behavior of the molecular quantum-kicked rotor was mathematically investigated. • The matrix elements were made correspondent with the ultraspherical polynomials. • The explicit formula for asymptotic distribution was obtained. • Complete agreement with the numerical simulation was verified.

Microwave quantum logic spectroscopy and control of molecular ions

DEFF Research Database (Denmark)

Shi, M.; F. Herskind, P.; Drewsen, M.

2013-01-01

the rotational state of a molecular ion and the electronic state of an atomic ion. In this setting, the atomic ion is used for read-out of the molecular ion state, in a manner analogous to quantum logic spectroscopy based on Raman transitions. In addition to high-precision spectroscopy, this setting allows...... for rotational ground state cooling, and can be considered as a candidate for the quantum information processing with polar molecular ions. All elements of our proposal can be realized with currently available technology....

Interlocking Molecular Gear Chains Built on Surfaces.

Science.gov (United States)

Zhao, Rundong; Qi, Fei; Zhao, Yan-Ling; Hermann, Klaus E; Zhang, Rui-Qin; Van Hove, Michel A

2018-05-17

Periodic chains of molecular gears in which molecules couple with each other and rotate on surfaces have been previously explored by us theoretically using ab initio simulation tools. On the basis of the knowledge and experience gained about the interactions between neighboring molecular gears, we here explore the transmission of rotational motion and energy over larger distances, namely, through a longer chain of gear-like passive "slave" molecules. Such microscopic gears exhibit quite different behaviors compared to rigid cogwheels in the macroscopic world due to their structural flexibility affecting intermolecular interaction. Here, we investigate the capabilities of such gear chains and reveal the mechanisms of the transmission process in terms of both quantum-level density functional theory (DFT) and simple classical mechanics. We find that the transmission of rotation along gear chains depends strongly on the gear-gear distance: short distances can cause tilting of gears and even irregular "creep-then-jump" (or "stick-slip") motion or expulsion of gears; long gear-gear distances cause weak coupling between gears, slipping and skipping. More importantly, for transmission of rotation at intermediate gear-gear distances, our modeling clearly exhibits the relative roles of several important factors: flexibility of gear arms, axles, and supports, as well as resulting rotational delays, slippages, and thermal and other effects. These studies therefore allow better informed design of future molecular machine components involving motors, gears, axles, etc.

Numerical study of rotating interstellar clouds: equilibrium and collapse

International Nuclear Information System (INIS)

Norman, M.L.

1980-06-01

Equilibrium and collapse of rotating, axisymmetric, idealized interstellar gas clouds is calculated with a 2D hydrodynamics code. The hydrodynamics features an improved angular momentum advection algorithm. Angular momentum is advected consistently with mass by deriving angular momentum fluxes from mass fluxes and the local distribution of specific angular momentum. Local conservation is checked by a graph of mass versus specific angular momentum for the cloud as a whole

Three-dimensional lattice rotation in GaAs nanowire growth on hydrogen-silsesquioxane covered GaAs (001) using molecular beam epitaxy

Science.gov (United States)

Tran, Dat Q.; Pham, Huyen T.; Higashimine, Koichi; Oshima, Yoshifumi; Akabori, Masashi

2018-05-01

We report on crystallographic behaviors of inclined GaAs nanowires (NWs) self-crystallized on GaAs (001) substrate. The NWs were grown on hydrogen-silsesquioxane (HSQ) covered substrates using molecular beam epitaxy (MBE). Commonly, the epitaxial growth of GaAs B (B-polar) NWs is prominently observed on GaAs (001); however, we yielded a remarkable number of epitaxially grown GaAs A (A-polar) NWs in addition to the majorly obtained B-polar NWs. Such NW orientations are always accompanied by a typical inclined angle of 35° from (001) plane. NWs with another inclined angle of 74° were additionally observed and attributed to be -oriented, not in direct epitaxial relation with the substrate. Such 74° NWs' existence is related to first-order three-dimensional (3D) lattice rotation taking place at the very beginning of the growth. It turns out that spatially 60° lattice rotation around directions at GaAs seeds is essentially in charge of A- and B-polar 74° NWs. Transmission electron microscope observations reveal a high density of twinning in the B-polar NWs and twin-free characteristic in the A-polar NWs.

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

Science.gov (United States)

Liu, Jinjun

2018-03-01

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

Interior structure of rotating black holes. I. Concise derivation

International Nuclear Information System (INIS)

Hamilton, Andrew J. S.; Polhemus, Gavin

2011-01-01

This paper presents a concise derivation of a new set of solutions for the interior structure of accreting, rotating black holes. The solutions are conformally stationary, axisymmetric, and conformally separable. Hyper-relativistic counter-streaming between freely-falling collisionless ingoing and outgoing streams leads to mass inflation at the inner horizon, followed by collapse. The solutions fail at an exponentially tiny radius, where the rotational motion of the streams becomes comparable to their radial motion. The papers provide a fully nonlinear, dynamical solution for the interior structure of a rotating black hole from just above the inner horizon inward, down to a tiny scale.

Prediction of secular acceleration of axial rotation of Mars

Science.gov (United States)

Barkin, Yu. V.

2009-04-01

Secular motion of the Earth pole and non-tidal acceleration of its diurnal rotation have obtained rather precise explanation with the help of simple one-point model of the directed transport of fluid masses from a southern hemisphere in northern hemisphere with the general direction, given by geocentric axis OP directed to pole P with coordinates 700N, 10403 E[1]. The another generalized model represents a system of two material points with masses m2 and m1, located on surface of the Earth at poles of geocentric axis OP. Masses are linearly changed in the time with velocities [2]: ṁ2 = 0.179 × 1015kg/yrand ṁ1 = 0.043 × 1015kg/yr. A reduction of fluid masses of the appropriate thin spherical layer of the Earth correspond to secular increasing of masses of model points. The specified model has allowed to explain values of fundamental geodynamic parameters observably and determined during decades: a direction and velocity of drift of a pole of the Earth; value of non-tidal acceleration of axial rotation; to explain a secular variations of coefficients of the second, third, fourth, sixth and eighth zonal harmonics of a geopotential; coefficients of secular changes of a surface of ocean for the last approximately 150 years; a direction of secular drift of a geocenter and other planetary phenomena [3]. The role of the angular momentum of redistributed masses of the Earth in rotation of the Earth appeared not essential at the given stage of researches. On the essence the offered model has semi-empirical character as it bases on values of velocities of change of masses of points and the given position of axis OP. For their determination and estimations the part of the observant data was used, and other parameters were designed under analytical formulas. The obtained results have precisely confirmed competency and affectivity of geodynamic model [4] about existence of secular drift of a liquid core along radial direction OP with velocity about 2.6 cm/yr in the

A stable high-speed rotational transmission system based on nanotubes

International Nuclear Information System (INIS)

Cai, Kun; Yin, Hang; Wei, Ning; Chen, Zhen; Shi, Jiao

2015-01-01

A stable rotational transmission system is designed with a single-walled carbon nanotube (SWCNT)-based motor and double-walled carbon nanotubes (DWCNTs)-based bearing. The system response is investigated using molecular dynamics (MD) simulation. It is found that the rotating motor can actuate the rotation of the inner tube in bearing because of the attraction between the two adjacent coaxial ends of motor and rotor (the inner tube in bearing). To have a stable nanostructure, each carbon atom on the adjacent ends of motor and rotor is bonded with a hydrogen atom. To obtain a stable high-speed rotational transmission system, both an armchair and a zigzag model are used in MD simulation. In each model, the motor with different diameters and rotational speeds is employed to examine the rotational transmission of corresponding DWCNTs. It is demonstrated that the long range van der Waals interaction between the adjacent ends of motor and rotor leads to a stable configuration of the adjacent ends, and further leads to a stable rotation of rotor when driven by a high-speed motor. As compared with the armchair model, the rotor in the zigzag model could reach a stable rotation mode much easier

Possible rotation-power nature of SGRs and AXPs

International Nuclear Information System (INIS)

Malheiro, M.; Lobato, R. V.; Coelho, Jaziel G.; Cáceres, D. L.; De Lima, R. C. R.; Rueda, J. A.; Ruffini, R.

2017-01-01

We investigate the possibility of some Soft Gamma-ray Repeaters (SGRs) and Anomalous X-ray Pulsars (AXPs) could be described as rotation-powered neutron stars (NSs). The analysis was carried out by computing the structure properties of NSs, and then we focus on giving estimates for the surface magnetic field using both realistic structure parameters of NSs and a general relativistic model of a rotating magnetic dipole. We show that the use of realistic parameters of rotating neutron stars obtained from numerical integration of the self-consistent axisymmetric general relativistic equations of equilibrium leads to values of the magnetic field and radiation efficiency of SGRs/AXPs very different from estimates based on fiducial parameters. This analysis leads to a precise prediction of the range of NS masses, obtained here by making use of selected up-to-date nuclear equations of state (EOS). We show that 40% (nine) of the entire observed population of SGRs and AXPs can be described as canonical pulsars driven by the rotational energy of neutron stars, for which we give their possible range of masses. We also show that if the blackbody component in soft X-rays is due to the surface temperature of NSs, then 50% of the sources could be explained as ordinary rotation-powered pulsars. Besides, amongst these sources we find the four SGRs/AXPs with observed radio emission and six that are possibly associated with supernova remnants (including Swift J1834.9-0846 as the first magnetar to show a surrounding wind nebula), suggesting as well a natural explanation as ordinary pulsars. (paper)

Properties of Highly Rotationally Excited H2 in Photodissociation Regions

Science.gov (United States)

Cummings, Sally Jane; Wan, Yier; Stancil, Phillip C.; Yang, Benhui H.; Zhang, Ziwei

2018-06-01

H2 is the dominant molecular species in the vast majority of interstellar environments and it plays a crucial role as a radiative coolant. In photodissociation regions, it is one of the primary emitters in the near to mid-infrared which are due to lines originating from highly excited rotational levels. However, collisional data for rotational levels j>10 are sparse, particularly for H2-H2 collisions. Utilizing new calculations for para-H2 and ortho-H2 collisional rate coefficients with H2 for j as high as 30, we investigate the effects of the new results in standard PDR models with the spectral simulation package Cloudy. We also perform Cloudy models of the Orion Bar and use Radex to explore rotational line ratio diagnostics. The resulting dataset of H2 collisional data should find wide application to other molecular environments. This work was support by Hubble Space Telescope grant HST-AR-13899.001-A and NASA grants NNX15AI61G and NNX16AF09G.

From Gyroscopic to Thermal Motion: A Crossover in the Dynamics of Molecular Superrotors

Science.gov (United States)

Milner, A. A.; Korobenko, A.; Rezaiezadeh, K.; Milner, V.

2015-07-01

Localized heating of a gas by intense laser pulses leads to interesting acoustic, hydrodynamic, and optical effects with numerous applications in science and technology, including controlled wave guiding and remote atmosphere sensing. Rotational excitation of molecules can serve as the energy source for raising the gas temperature. Here, we study the dynamics of energy transfer from the molecular rotation to heat. By optically imaging a cloud of molecular superrotors, created with an optical centrifuge, we experimentally identify two separate and qualitatively different stages of its evolution. The first nonequilibrium "gyroscopic" stage is characterized by the modified optical properties of the centrifuged gas—its refractive index and optical birefringence, owing to the ultrafast directional molecular rotation, which survives tens of collisions. The loss of rotational directionality is found to overlap with the release of rotational energy to heat, which triggers the second stage of thermal expansion. The crossover between anisotropic rotational and isotropic thermal regimes is in agreement with recent theoretical predictions and our hydrodynamic calculations.

Breakdown of the Stokes-Einstein Relation for the Rotational Diffusivity of Polymer Grafted Nanoparticles in Polymer Melts.

Science.gov (United States)

Maldonado-Camargo, Lorena; Rinaldi, Carlos